def measure_for_outlier_criterion(criterion_name, masterdir, rviper_iter, list_of_viper_run_indices): # main_iterations = [NAME_OF_MAIN_DIR + "%03d" % i for i in range(1, rviper_iter + 1)] main_iterations = [NAME_OF_MAIN_DIR + "%03d" % i for i in range(rviper_iter, rviper_iter + 1)] mainoutputdir = masterdir + DIR_DELIM + main_iterations[0] + DIR_DELIM p = [] for i1 in list_of_viper_run_indices: p.append(read_text_row(mainoutputdir + NAME_OF_RUN_DIR + "%03d" % (i1) + DIR_DELIM + "params.txt")) subset, avg_diff_per_image, outp = find_common_subset(p, 0) avg_diff_per_image.sort() x1 = len(avg_diff_per_image) y1 = avg_diff_per_image[-1] if y1 <= ANGLE_ERROR_THRESHOLD: return TRIPLET_WITH_ANGLE_ERROR_LESS_THAN_THRESHOLD_HAS_BEEN_FOUND if criterion_name == "80th percentile": return avg_diff_per_image[int(x1*PERCENT_THRESHOLD_X)]/y1 elif criterion_name == "fastest increase in the last quartile": for k in range(5,6): avg_diff_per_image_diff = [x - avg_diff_per_image[i - k] for i, x in enumerate(avg_diff_per_image)][k:] avg_diff_per_image_diff_max = max(avg_diff_per_image_diff) avg_diff_per_image_diff_max_normalized = max(avg_diff_per_image_diff)/y1 if avg_diff_per_image_diff.index(avg_diff_per_image_diff_max) >= int(x1*0.75): return avg_diff_per_image_diff_max_normalized return 0.0 else: print "Error, no criterion name is specified!" mpi_finalize() sys.exit()
def f1():
myid = mpi_comm_rank(MPI_COMM_WORLD)
program_state_stack(locals(), getframeinfo(currentframe()), "my_state.json")
for local_var_i in range(2):
for local_var_j in range(2):
if program_state_stack(locals(), getframeinfo(currentframe())):
my_s = "%s_f1_%d_%d_%03d_%03d.txt" % (
mydir,
local_var_i,
local_var_j,
myid,
getframeinfo(currentframe()).lineno,
)
f = open(my_s, "w")
f.write(my_s[5:])
f.flush()
f.close()
if program_state_stack(locals(), getframeinfo(currentframe())):
my_s = "%s_f1_%d_%d_%03d_%03d.txt" % (
mydir,
local_var_i,
local_var_j,
myid,
getframeinfo(currentframe()).lineno,
)
f = open(my_s, "w")
f.write(my_s[5:])
f.flush()
f.close()
if program_state_stack(locals(), getframeinfo(currentframe())):
my_s = "%s_f1_%d_%d_%03d_%03d.txt" % (
mydir,
local_var_i,
local_var_j,
myid,
getframeinfo(currentframe()).lineno,
)
f = open(my_s, "w")
f.write(my_s[5:])
f.flush()
f.close()
a(local_var_i, local_var_j)
if program_state_stack(locals(), getframeinfo(currentframe())):
my_s = "%s_f1_%d_%d_%03d_%03d.txt" % (
mydir,
local_var_i,
local_var_j,
myid,
getframeinfo(currentframe()).lineno,
)
f = open(my_s, "w")
f.write(my_s[5:])
f.flush()
f.close()
program_state_stack(locals(), getframeinfo(currentframe()), last_call="LastCall")
mpi_finalize()
def get_already_processed_viper_runs(run_get_already_processed_viper_runs):
import random
if run_get_already_processed_viper_runs:
location_location = "/Users/hvoicu/Analysis/rrviper/particle__PIC_ISAC_g1_clean/0001__sim_r_viper_pool_001/"
location_location = "/Users/hvoicu/Analysis/rrviper/particle__sp_MED_isac_clean_v1/0001__sim_r_viper_pool_001/"
if "counter" not in get_already_processed_viper_runs.__dict__:
# function needs to be called once before being used !
get_already_processed_viper_runs.counter = -2
path, dirs, files = os.walk(location_location).next()
# dirs = filter(lambda x:'run' in x, dirs)
import re
dirs = filter(lambda x:re.search('run\d\d\d$', x), dirs)
get_already_processed_viper_runs.r_permutation = range(len(dirs))
random.shuffle(get_already_processed_viper_runs.r_permutation)
print str(get_already_processed_viper_runs.r_permutation)
get_already_processed_viper_runs.counter += 1
print "get_already_processed_viper_runs.counter: " + str(get_already_processed_viper_runs.counter)
# if get_already_processed_viper_runs.counter > 9:
if get_already_processed_viper_runs.counter > (MAXIMUM_NO_OF_VIPER_RUNS_ANALYZED_TOGETHER - 1):
print "get_already_processed_viper_runs.counter > 9"
mpi_finalize()
sys.exit()
return location_location + NAME_OF_RUN_DIR + "%03d"%get_already_processed_viper_runs.r_permutation[get_already_processed_viper_runs.counter]
else:
get_already_processed_viper_runs.r_permutation = [0]*20
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --K=2 --nb_part=5 --th_nobj=10 --rand_seed=10 --opt_method=SSE --maxit=1000 --normalize --CTF --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--K", type="int", default=2, help="Number of classes for K-means (default 2)")
parser.add_option("--nb_part", type="int", default=5, help="Number of partitions used to calculate the stability (default 5)")
#parser.add_option("--F", type="float", default=0.0, help="Cooling factor in simulated annealing, <1.0")
#parser.add_option("--T0", type="float", default=0.0, help="Simulated annealing first temperature")
parser.add_option("--th_nobj", type="int", default=1, help="Cleanning threshold, classes with number of images < th_nobj are removed (default 1)")
parser.add_option("--rand_seed", type="int", default=0, help="Random seed")
#parser.add_option("--opt_method", type='string', default='SSE', help="K-means method: SSE (default), cla")
#parser.add_option("--match", type='string', default='bbenum', help='Algorithm to match partitions: pwa, pair-wise agreement (default), or hh, hierarchical Hungarian algorithm, or bbenum')
parser.add_option("--maxit", type="int", default=1e9, help="Maximum number of iterations for k-means")
parser.add_option("--normalize", action="store_true", default=False, help="Normalize images under the mask")
parser.add_option("--CTF", action="store_true", default=False, help="Perform classification using CTF information")
#parser.add_option("--CUDA", action="store_true", default=False, help="CUDA version")
parser.add_option("--MPI", action="store_true", default=False, help="Use MPI version ")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args) == 2: mask = None
else: mask = args[2]
if options.K < 2:
sys.stderr.write('ERROR: K must be > 1 group\n\n')
sys.exit()
if options.nb_part < 2:
sys.stderr.write('ERROR: nb_part must be > 1 partition\n\n')
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
global_def.BATCH = True
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
'''if options.CUDA:
from development import k_means_stab_MPICUDA_stream_YANG
k_means_stab_MPICUDA_stream_YANG(args[0], args[1], mask, options.K, options.nb_part, options.F, options.T0, options.th_nobj, options.rand_seed, options.maxit)
else:'''
from statistics import k_means_stab_MPI_stream
k_means_stab_MPI_stream(args[0], args[1], mask, options.K, options.nb_part, 0.0, 0.0, options.th_nobj, options.rand_seed, "SSE", options.CTF, options.maxit)
else:
'''if options.CUDA:
from development import k_means_stab_CUDA_stream
k_means_stab_CUDA_stream(args[0], args[1], mask, options.K, options.nb_part, options.F, options.T0, options.th_nobj, options.rand_seed, options.maxit)
else:'''
from statistics import k_means_stab_stream
k_means_stab_stream(args[0], args[1], mask, options.K, options.nb_part, 0.0, 0.0, options.th_nobj, options.rand_seed, "SSE", options.CTF, options.maxit)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --ou=outer_radius --delta=angular_bracket --maxit=max_iter --chunk=data_chunk_for_update --center --CTF --snr=SNR --sym=symmetry --function=user_function --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ou", type="float", default=-1, help="outer radius of a circular mask that should encompass the particle< int(nx/2)-1 (set to int(nx/2)-1)")
parser.add_option("--delta", type="float", default=2, help="angular bracket (set to 2)")
parser.add_option("--ts", type="float", default=2, help="shift bracket (set to 2)")
parser.add_option("--center", type="float", default=0, help="-1 - average centering method; 0 - no cetnering of template volume (default), 1 - center the volume using center of gravity")
parser.add_option("--maxit", type="int", default=10, help="maximum number of iterations (set to 10)")
parser.add_option("--chunk", type="float", default=1.0, help="chunk of data after which the 3-D structure will be updated 0<chunk<=1.0 (set to 1.0)")
parser.add_option("--CTF", action="store_true", default=False, help="Consider CTF correction during the alignments")
parser.add_option("--snr", type="float", default=1, help="SNR > 0.0 (set to 1.0)")
parser.add_option("--sym", type="string", default="c1", help="symmetry group (set to c1)")
parser.add_option("--function", type="string", default="ref_ali3d", help="name of the user-supplied reference preparation function")
parser.add_option("--npad", type="int", default= 2, help="padding size for 3D reconstruction")
parser.add_option("--debug", action="store_true", default=False, help="Debug printout")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version")
parser.add_option("--fourvar", action="store_true", default=False, help="compute Fourier variance")
(options, args) = parser.parse_args(arglist[1:])
if(len(args) < 2 or len(args) > 3):
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if(len(args) == 2):
mask = None
else:
mask = args[2]
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
global_def.BATCH = True
if options.fourvar:
from development import nlocal_ali3d_MPI
nlocal_ali3d_MPI(args[0], args[1], mask, options.ou, options.delta, options.ts, options.center, options.maxit,
options.CTF, options.snr, options.sym, options.chunk, options.function, options.fourvar,
options.npad, options.debug)
else:
from applications import local_ali3d
local_ali3d(args[0], args[1], mask, options.ou, options.delta, options.ts, options.center, options.maxit,
options.CTF, options.snr, options.sym, options.chunk, options.function, options.fourvar,
options.npad, options.debug, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
from optparse import OptionParser
progname = os.path.basename(sys.argv[0])
usage = progname + " filelist outdir --fl=filter_low_value --aa=filter_fall_off --radccc=radius_ccc -repair=repairfile --pca --pcamask --pcanvec --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--fl", type="float", default=0.0, help="cut-off frequency of hyperbolic tangent low-pass Fourier filter")
parser.add_option("--aa", type="float", default=0.0, help="fall-off of hyperbolic tangent low-pass Fourier filter")
parser.add_option("--radccc", type="int", default=-1, help="radius for ccc calculation")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version" )
parser.add_option("--repair", type="string", default="default", help="repair original bootstrap volumes: None or repair file name")
parser.add_option("--pca", action="store_true", default=False, help="run pca" )
parser.add_option("--pcamask", type="string", default=None, help="mask for pca" )
parser.add_option("--pcanvec", type="int", default=2, help="number of eigvectors computed in PCA")
parser.add_option("--n", action="store_true", default=False, help="new")
parser.add_option("--scratch", type="string", default="./", help="scratch directory")
(options, args) = parser.parse_args(sys.argv[1:])
if len(args)<2 :
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
files = args[0:-1]
outdir = args[-1]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init( len(sys.argv), sys.argv )
arglist = []
for arg in sys.argv:
arglist.append( arg )
global_def.BATCH = True
if(options.n):
from development import var_mpi_new
var_mpi_new( files[0], outdir, options.scratch, options.fl, options.aa, options.radccc, False, False, options.repair, options.pca, options.pcamask, options.pcanvec)
else:
from applications import var_mpi
var_mpi( files, outdir, options.fl, options.aa, options.radccc, options.repair, options.pca, options.pcamask, options.pcanvec)
global_def.BATCH = False
from mpi import mpi_finalize
mpi_finalize()
else:
global_def.BATCH = True
ERROR("Please use MPI version","sxvar",1)
from applications import defvar
defvar( files, outdir, options.fl, options.aa, options.radccc, options.repair, options.pca, options.pcamask, options.pcanvec)
global_def.BATCH = False
def main():
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(sys.argv[0])
usage = progname + " data_stack reference_stack outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translation_step --center=center_type --maxit=max_iteration --CTF --snr=SNR --function=user_function_name --rand_seed=random_seed --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ir", type="float", default=1, help=" inner radius for rotational correlation > 0 (set to 1)")
parser.add_option("--ou", type="float", default=-1, help=" outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)")
parser.add_option("--rs", type="float", default=1, help=" step between rings in rotational correlation > 0 (set to 1)" )
parser.add_option("--xr", type="float", default=0, help=" range for translation search in x direction, search is +/-xr ")
parser.add_option("--yr", type="float", default=0, help=" range for translation search in y direction, search is +/-yr ")
parser.add_option("--ts", type="float", default=1, help=" step of translation search in both directions")
parser.add_option("--center", type="float", default=1, help=" 0 - if you do not want the average to be centered, 1 - center the average (default=1)")
parser.add_option("--maxit", type="float", default=10, help=" maximum number of iterations (set to 10) ")
parser.add_option("--CTF", action="store_true", default=False, help=" Consider CTF correction during multiple reference alignment")
parser.add_option("--snr", type="float", default= 1.0, help=" signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--function", type="string", default="ref_ali2d", help=" name of the reference preparation function")
parser.add_option("--rand_seed", type="int", default=1000, help=" random seed of initial (set to 1000)" )
parser.add_option("--MPI", action="store_true", default=False, help=" whether to use MPI version ")
parser.add_option("--EQ", action="store_true", default=False, help=" equal version ")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args) == 3:
mask = None
else:
mask = args[3]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
global_def.BATCH = True
if options.EQ:
from development import mrefeq_ali2df
#print " calling MPI",options.MPI,options.function,options.rand_seed
#print args
mrefeq_ali2df(args[0], args[1], mask, options.ir, options.ou, options.rs, options.xr, options.yr, options.ts, options.center, options.maxit, options.CTF, options.snr, options.function, options.rand_seed, options.MPI)
else:
from applications import mref_ali2d
mref_ali2d(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr, options.yr, options.ts, options.center, options.maxit, options.CTF, options.snr, options.function, options.rand_seed, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
import sys
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + " prjstack outdir bufprefix --delta --d --nvol --nbufvol --seedbase --snr --npad --CTF --MPI --verbose"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--nvol", type="int", help="number of resample volumes to be generated")
parser.add_option("--nbufvol", type="int", default=1, help="number of fftvols in the memory")
parser.add_option("--delta", type="float", default=10.0, help="angular step for cones")
parser.add_option("--d", type="float", default=0.1, help="fraction of projections to leave out")
parser.add_option("--CTF", action="store_true", default=False, help="use CTF")
parser.add_option("--snr", type="float", default=1.0, help="Signal-to-Noise Ratio")
parser.add_option("--npad", type="int", default=2, help="times of padding")
parser.add_option("--seedbase", type="int", default=-1, help="random seed base")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI")
parser.add_option("--verbose", type="int", default=0, help="verbose level: 0 no, 1 yes")
(options, args) = parser.parse_args( arglist[1:] )
if( len(args) !=1 and len(args) != 3):
print "usage: " + usage
return None
prjfile = args[0]
if options.MPI:
from mpi import mpi_barrier, mpi_comm_rank, mpi_comm_size, mpi_comm_split, MPI_COMM_WORLD
from mpi import mpi_init
sys.argv = mpi_init( len(sys.argv), sys.argv )
myid = mpi_comm_rank( MPI_COMM_WORLD )
ncpu = mpi_comm_size( MPI_COMM_WORLD )
else:
myid = 0
ncpu = 1
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
outdir = args[1]
bufprefix = args[2]
resample( prjfile, outdir, bufprefix, options.nbufvol, options.nvol, options.seedbase,\
options.delta, options.d, options.snr, options.CTF, options.npad,\
options.MPI, myid, ncpu, options.verbose )
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translation_step --dst=delta --center=center --maxit=max_iteration --CTF --snr=SNR --Fourvar=Fourier_variance --Ng=group_number --Function=user_function_name --CUDA --GPUID --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ir", type="float", default=1, help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option("--ou", type="float", default=-1, help="outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)")
parser.add_option("--rs", type="float", default=1, help="step between rings in rotational correlation > 0 (set to 1)" )
parser.add_option("--xr", type="string", default="4 2 1 1", help="range for translation search in x direction, search is +/xr ")
parser.add_option("--yr", type="string", default="-1", help="range for translation search in y direction, search is +/yr ")
parser.add_option("--ts", type="string", default="2 1 0.5 0.25",help="step of translation search in both directions")
parser.add_option("--dst", type="float", default=0.0, help="delta")
parser.add_option("--center", type="float", default=-1, help="-1.average center method; 0.not centered; 1.phase approximation; 2.cc with Gaussian function; 3.cc with donut-shaped image 4.cc with user-defined reference 5.cc with self-rotated average")
parser.add_option("--maxit", type="float", default=0, help="maximum number of iterations (0 means the maximum iterations is 10, but it will automatically stop should the criterion falls")
parser.add_option("--CTF", action="store_true", default=False, help="use CTF correction during alignment ")
parser.add_option("--snr", type="float", default=1.0, help="signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--Fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--Ng", type="int", default=-1, help="number of groups in the new CTF filteration")
parser.add_option("--num_ali", type="int", default=3, help="number of independent alignments to do")
parser.add_option("--function", type="string", default="ref_ali2d", help="name of the reference preparation function (default ref_ali2d)")
parser.add_option("--CUDA", action="store_true", default=False, help="use CUDA program")
parser.add_option("--GPUID", type="string", default="", help="ID of GPUs available")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version ")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if args[1] == 'None': outdir = None
else: outdir = args[1]
if len(args) == 2: mask = None
else: mask = args[2]
from development import multi_ali2d
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv),sys.argv)
global_def.BATCH = True
multi_ali2d(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, options.ts, options.dst, options.center, \
options.maxit, options.CTF, options.snr, options.Fourvar, options.Ng, options.num_ali, options.function, options.CUDA, options.GPUID, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " out_averages outdir --ou=outer_radius --xr=x_range --ts=translation_step --maxit=max_iteration --CTF --snr=SNR --function=user_function_name --Fourvar --ali=kind_of_alignment --center=center_type"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ou", type="int", default=-1, help="outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)")
parser.add_option("--xr", type="string", default="4 2", help="range for translation search in x direction, search is +/xr ")
parser.add_option("--ts", type="string", default="2 1", help="step of translation search in both directions")
parser.add_option("--maxit", type="float", default=0, help="maximum number of iterations (0 means the maximum iterations is 10, but it will automatically stop should the criterion falls")
parser.add_option("--CTF", action="store_true", default=False, help="Consider CTF correction during the alignment ")
parser.add_option("--snr", type="float", default=1.0, help="signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--Fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--function", type="string", default="ref_ali2d", help="name of the reference preparation function")
parser.add_option('--Ng', type='int', default=-1, help='Ng')
parser.add_option('--num_ali', type='int', default=2, help='number of alignments')
parser.add_option('--err_th', type='float', default=1.0, help='')
parser.add_option('--th_mir', type='float', default=0.5, help='')
parser.add_option('--th_err', type='float', default=1.0, help='')
parser.add_option('--K', type='int', default=100, help='number of clusters')
parser.add_option('--dst', type='float', default=0.0, help='')
parser.add_option("--center", type="float", default=-1, help="-1.average center method; 0.not centered; 1.phase approximation; 2.cc with Gaussian function; 3.cc with donut-shaped image 4.cc with user-defined reference 5.cc with self-rotated average")
parser.add_option("--CUDA", action="store_true", default=False, help="whether to use CUDA ")
parser.add_option("--GPUID", type="string", default="", help="the IDs of GPU to use")
parser.add_option('--MPI', action='store_true', default=False, help='MPI')
parser.add_option('--old', action='store_true', default=False, help='old')
(options, args) = parser.parse_args()
if options.old == False and len(args) != 3 or options.old and len(args) != 4:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv),sys.argv)
global_def.BATCH = True
if options.old:
from development import realid
realid(args[0], args[1], args[2], args[3], options.ou, options.xr, options.ts, options.maxit, options.function, options.snr, options.CTF, options.Fourvar, options.Ng, options.num_ali, options.th_mir, options.th_err, options.dst, options.center, options.CUDA, options.GPUID, options.MPI)
else:
from development import realignment
realignment(args[0], args[1], args[2], options.ou, options.xr, options.ts, options.maxit, options.function, options.snr, options.CTF, options.Fourvar, options.Ng, options.num_ali, options.err_th, options.K, options.dst, options.center, options.CUDA, options.GPUID, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " configure_file.cfg"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ir", type="float", default=1, help=" inner radius for rotational correlation (set to 1)")
parser.add_option("--ou", type="float", default=-1, help=" outer radius for rotational correlation (set to the radius of the particle)")
parser.add_option("--rs", type="float", default=1, help=" step between rings in rotational correlation (set to 1)" )
parser.add_option("--xr", type="float", default=0, help=" range for translation search in x direction, search is +/-xr ")
parser.add_option("--yr", type="float", default=-1, help=" range for translation search in y direction, search is +/-yr ")
parser.add_option("--ts", type="float", default=1, help=" step of translation search in both directions")
parser.add_option("--CTF", action="store_true", default=False, help=" Consider CTF correction during multiple reference assignment")
parser.add_option("--CUDA", action="store_true", default=False, help=" whether to use CUDA")
parser.add_option("--GPUID", type="string", default="0 1 2 3", help=" the IDs of GPU to use")
parser.add_option("--SA", action="store_true", default=False, help=" whether to use simulated annealing")
parser.add_option("--T", type="float", default=0.001, help=" the temperature of simulated annealing")
parser.add_option("--F", type="float", default=0.995, help=" the temperature cooling rate")
parser.add_option("--heads_up", action="store_true", default=False, help=" whether to give a heads up")
parser.add_option("--MPI", action="store_true", default=False, help=" whether to use MPI version ")
(options, args) = parser.parse_args()
if len(args) < 3 or len(args) > 4:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
sys.exit()
if len(args) == 4: mask = args[3]
else: mask = None
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv),sys.argv)
from development import multi_assign
global_def.BATCH = True
multi_assign(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr, options.yr, options.ts,
options.CTF, options.CUDA, options.GPUID, options.SA, options.T, options.F, options.heads_up, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack <maskfile> --search_rng=10 --maxit=max_iteration --CTF --snr=SNR --Fourvar=Fourier_variance --oneDx --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--search_rng", type="int", default=-1, help="Search range for x-shift")
parser.add_option("--search_ang", type="int", default=-1, help="Search range for inplane rotation angle")
parser.add_option("--search_rng_y", type="int", default=-1, help="Search range for x-shift. Not used for 1D search (oneDx flag set).")
parser.add_option("--maxit", type="int", default=100, help="Maximum number of iterations program will perform")
parser.add_option("--CTF", action="store_true", default=False, help="Use CTF correction")
parser.add_option("--snr", type="float", default=1.0, help="signal-to-noise ratio of the data (default is 1.0)")
parser.add_option("--Fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--oneDx", action="store_true", default=False, help="1D search along x-axis")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI")
parser.add_option("--curvature", action="store_true", default=False, help="for curved filament alignment")
(options, args) = parser.parse_args()
if not(options.MPI):
print "Only MPI version is currently implemented."
print "Please run '" + progname + " -h' for detailed options"
return
if len(args) < 1 or len(args) > 2:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args) == 1: mask = None
else: mask = args[1]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv),sys.argv)
global_def.BATCH = True
if options.oneDx:
helicalshiftali_MPI(args[0], mask, options.maxit, options.CTF, options.snr, options.Fourvar, options.search_rng)
else:
shiftali_MPI(args[0], mask, options.maxit, options.CTF, options.snr, options.Fourvar,options.search_rng,options.oneDx,options.search_rng_y)
global_def.BATCH = False
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir --dp=rise --dphi=rotation --apix=pixel_size --phistep=phi_step --zstep=z_step --fract=helicising_fraction --rmax=maximum_radius --rmin=min_radius --CTF --sym=c1 --function=user_function --maxit=max_iter --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--dp", type="float", default= 1.0, help="delta z - translation in Angstroms")
parser.add_option("--dphi", type="float", default= 1.0, help="delta phi - rotation in degrees")
parser.add_option("--apix", type="float", default= 1.84, help="pixel size in Angstroms")
parser.add_option("--rmin", type="int", default= 0, help="minimal radial extent of structure")
parser.add_option("--rmax", type="int", default= 70, help="maximal radial extent of structure")
parser.add_option("--fract", type="float", default= 0.66, help="fraction of the volume used for helical search")
parser.add_option("--sym", type="string", default="c1", help="symmetry of the structure")
parser.add_option("--function", type="string", default="helical", help="name of the reference preparation function")
parser.add_option("--zstep", type="int", default= 1, help="Step size for translational search along z")
parser.add_option("--CTF", action="store_true", default=False, help="CTF correction")
parser.add_option("--maxit", type="int", default=5, help="maximum number of iterations performed")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version")
(options, args) = parser.parse_args(arglist[1:])
if len(args) != 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
else:
print "There is only MPI version of sxfilrecons3d.py. See SPARX wiki page for downloading MyMPI details."
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from development import filrecons3D_MPI
global_def.BATCH = True
filrecons3D_MPI(args[0], args[1], args[2], options.dp, options.dphi, options.apix, options.function, options.zstep, options.fract, options.rmax, options.rmin,
options.CTF, options.maxit, options.sym)
global_def.BATCH = False
if options.MPI: mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " input_stack output_stack --subavg=average_image --rad=mask_radius --nvec=number_of_eigenvectors --incore --mask=maskfile --shuffle --usebuf --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--subavg", type="string", default="", help="subtract average")
parser.add_option("--rad", type="int", default=-1, help="radius of mask")
parser.add_option("--nvec", type="int", default=1, help="number of eigenvectors")
parser.add_option("--mask", type="string", default="", help="mask file" )
parser.add_option("--genbuf", action="store_true", default=False, help="use existing buffer")
parser.add_option("--shuffle", action="store_true", default=False, help="use shuffle")
parser.add_option("--incore", action="store_true", default=False, help="no buffer on a disk" )
parser.add_option("--MPI", action="store_true", default=False, help="run mpi version" )
(options, args) = parser.parse_args()
input_stacks = args[0:-1]
output_stack = args[-1]
if options.nvec is None:
print "Error: number of components is not given"
sys.exit(-2)
isRoot = True
if options.MPI:
from mpi import mpi_init, mpi_comm_rank, MPI_COMM_WORLD
sys.argv = mpi_init( len(sys.argv), sys.argv )
isRoot = (mpi_comm_rank(MPI_COMM_WORLD) == 0)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import pca
global_def.BATCH = True
vecs = []
vecs = pca(input_stacks, options.subavg, options.rad, options.nvec, options.incore, options.shuffle, not(options.genbuf), options.mask, options.MPI)
if isRoot:
for i in xrange(len(vecs)):
vecs[i].write_image(output_stack, i)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " tifdir <micdir> --inx=tif --foc=f --ext=spi --cst=1 pixel_size=2 --sca_a=1 --sca_b=1 --step=63.5 --mag=40 --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--inx", type = "string", default="tif", help =" input extension ")
parser.add_option("--foc", type = "string", default="f", help =" film or CCD frames ")
parser.add_option("--ext", type = "string", default="spi", help =" extenstion of output file")
parser.add_option("--cst", type = "float", default=1, help =" contrast invert or not, -1=invert ")
parser.add_option("--pixel_size", type = "float", default=1, help =" the dimension adjusted output image pixel size")
parser.add_option("--sca_a", type = "float", default=1, help =" scanner OD converting parameter a, check manual of the scanner ")
parser.add_option("--sca_b", type = "float", default=1, help =" scanner OD converting parameter b, check manual of the scanner ")
parser.add_option("--step", type = "float", default=63.5, help =" scan step size of scanner or CCD camera ")
parser.add_option("--mag", type = "float", default=40, help =" magnification at which the images are taken ")
parser.add_option("--MPI", action="store_true", default=False, help=" whether using MPI version ")
(options, args) = parser.parse_args()
if len(args) < 1:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args) == 1:
outdir = None
else:
outdir = args[1]
from applications import copyfromtif
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv),sys.argv)
global_def.BATCH = True
copyfromtif(args[0], outdir, options.inx, options.foc, options.ext, options.cst, options.pixel_size, options.sca_a, options.sca_b, options.step, options.mag, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stackfile outdir <maskfile> --K1=Min_number_of_Cluster --K2=Max_number_of_Clusters --opt_method=K-means_method --trials=Number_of_trials_of_K-means --CTF --rand_seed=1000 --maxit=Maximum_number_of_iterations --F=simulated_annealing --T0=simulated_annealing --MPI --CUDA --debug"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--K1", type="int", default=2, help="Mimimum number of clusters")
parser.add_option("--K2", type="int", default=3, help="Maximum number of clusters")
parser.add_option("--trials", type="int", default=1, help="Number of trials in K-means (default 1)")
parser.add_option("--CTF", action="store_true", default=False, help="Perform clustering using CTF information")
parser.add_option("--rand_seed", type="int", default=-1, help="Random seed of initial (default random)" )
parser.add_option("--maxit", type="int", default=100, help="Mimimum number of iterations within K-means")
#parser.add_option("--F", type="float", default=0.0, help="Factor to decrease temperature in simulated annealing, ex.: 0.9")
#parser.add_option("--T0", type="float", default=0.0, help="Initial temperature in simulated annealing, ex: 100")
parser.add_option("--MPI", action="store_true", default=False, help="Use MPI version")
parser.add_option("--debug", action="store_true", default=False, help="Debug output")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
elif options.trials < 1:
sys.stderr.write("ERROR: Number of trials should be at least 1.\n\n")
sys.exit()
else:
if len(args)==2: mask = None
else: mask = args[2]
if options.K1 < 2:
sys.stderr.write('ERROR: K1 must be > 1 group\n\n')
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import k_means_groups
global_def.BATCH = True
k_means_groups(args[0], args[1], mask, "SSE", options.K1, options.K2, options.rand_seed, options.maxit, options.trials, options.CTF, 0.0, 0.0, options.MPI, False, options.debug)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def if_error_then_all_processes_exit_program(error_status):
import sys, os
from utilities import print_msg
if "OMPI_COMM_WORLD_SIZE" not in os.environ:
def mpi_comm_rank(n): return 0
def mpi_bcast(*largs):
return [largs[0]]
def mpi_finalize():
return None
MPI_INT, MPI_COMM_WORLD = 0, 0
else:
from mpi import mpi_comm_rank, mpi_bcast, mpi_finalize, MPI_INT, MPI_COMM_WORLD
myid = mpi_comm_rank(MPI_COMM_WORLD)
if error_status != None and error_status != 0:
error_status_info = error_status
error_status = 1
else:
error_status = 0
error_status = mpi_bcast(error_status, 1, MPI_INT, 0, MPI_COMM_WORLD)
error_status = int(error_status[0])
if error_status > 0:
if myid == 0:
if type(error_status_info) == type((1,1)):
if len(error_status_info) == 2:
frameinfo = error_status_info[1]
print_msg("***********************************\n")
print_msg("** Error: %s\n"%error_status_info[0])
print_msg("***********************************\n")
print_msg("** Location: %s\n"%(frameinfo.filename + ":" + str(frameinfo.lineno)))
print_msg("***********************************\n")
sys.stdout.flush()
mpi_finalize()
sys.exit(1)
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stackfile outdir <maskfile> --K1=Min_number_of_Cluster --K2=Max_number_of_Clusters --opt_method=K-means_method --trials=Number_of_trials_of_K-means --CTF --rand_seed=1000 --maxit=Maximum_number_of_iterations --F=simulated_annealing --T0=simulated_annealing --MPI --CUDA --debug"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--K1",
type="int",
default=2,
help="Mimimum number of clusters")
parser.add_option("--K2",
type="int",
default=3,
help="Maximum number of clusters")
parser.add_option("--trials",
type="int",
default=1,
help="Number of trials in K-means (default 1)")
parser.add_option("--CTF",
action="store_true",
default=False,
help="Perform clustering using CTF information")
parser.add_option("--rand_seed",
type="int",
default=-1,
help="Random seed of initial (default random)")
parser.add_option("--maxit",
type="int",
default=100,
help="Mimimum number of iterations within K-means")
#parser.add_option("--F", type="float", default=0.0, help="Factor to decrease temperature in simulated annealing, ex.: 0.9")
#parser.add_option("--T0", type="float", default=0.0, help="Initial temperature in simulated annealing, ex: 100")
parser.add_option("--MPI",
action="store_true",
default=False,
help="Use MPI version")
parser.add_option("--debug",
action="store_true",
default=False,
help="Debug output")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
elif options.trials < 1:
sys.stderr.write("ERROR: Number of trials should be at least 1.\n\n")
sys.exit()
else:
if len(args) == 2: mask = None
else: mask = args[2]
if options.K1 < 2:
sys.stderr.write('ERROR: K1 must be > 1 group\n\n')
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import k_means_groups
global_def.BATCH = True
k_means_groups(args[0], args[1], mask, "SSE", options.K1, options.K2,
options.rand_seed, options.maxit, options.trials,
options.CTF, 0.0, 0.0, options.MPI, False,
options.debug)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename( arglist[0] )
usage = progname + " prj_stack volume [begin end step] --CTF --npad=ntimes_padding --list=file --group=ID --snr=SNR --sym=symmetry --verbose=(0|1) --xysize --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--CTF", action="store_true", default=False, help="apply CTF correction")
parser.add_option("--snr", type="float", default=1.0, help="Signal-to-Noise Ratio" )
parser.add_option("--sym", type="string", default="c1", help="symmetry" )
parser.add_option("--list", type="string", help="file with list of images to be used in the first column" )
parser.add_option("--group", type="int", default=-1, help="perform reconstruction using images for a given group number (group is attribute in the header)" )
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version ")
parser.add_option("--npad", type="int", default=2, help="number of times padding (default 2)" )
parser.add_option("--verbose", type="int", default=0, help="verbose level: 0 no verbose, 1 verbose" )
parser.add_option("--xysize", type="int", default=-1, help="user expected size at xy direction" )
parser.add_option("--zsize", type="int", default=-1, help="user expected size at z direction" )
parser.add_option("--smearstep", type="float", default=0.0, help="Rotational smear step (default 0.0, no smear)" )
(options,args) = parser.parse_args(arglist[1:])
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if len(args) == 2:
prj_stack = args[0]
vol_stack = args[1]
nimage = EMUtil.get_image_count( prj_stack )
pid_list = range(0, nimage)
elif len(args) == 5:
prj_stack = args[0]
vol_stack = args[1]
begin = atoi( args[2] )
end = atoi( args[3] )
step = atoi( args[4] )
pid_list = range(begin, end, step)
else:
ERROR("incomplete list of arguments","recon3d_n",1)
exit()
if(options.list and options.group > -1):
ERROR("options group and list cannot be used together","recon3d_n",1)
sys.exit()
from applications import recons3d_n
global_def.BATCH = True
recons3d_n(prj_stack, pid_list, vol_stack, options.CTF, options.snr, 1, options.npad,\
options.sym, options.list, options.group, options.verbose, options.MPI,options.xysize, options.zsize, options.smearstep)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " input_stack output_stack --subavg=average_image --rad=mask_radius --nvec=number_of_eigenvectors --incore --mask=maskfile --shuffle --usebuf --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--subavg",
type="string",
default="",
help="subtract average")
parser.add_option("--rad", type="int", default=-1, help="radius of mask")
parser.add_option("--nvec",
type="int",
default=1,
help="number of eigenvectors")
parser.add_option("--mask", type="string", default="", help="mask file")
parser.add_option("--genbuf",
action="store_true",
default=False,
help="use existing buffer")
parser.add_option("--shuffle",
action="store_true",
default=False,
help="use shuffle")
parser.add_option("--incore",
action="store_true",
default=False,
help="no buffer on a disk")
parser.add_option("--MPI",
action="store_true",
default=False,
help="run mpi version")
(options, args) = parser.parse_args()
input_stacks = args[0:-1]
output_stack = args[-1]
if options.nvec is None:
print("Error: number of components is not given")
sys.exit(-2)
isRoot = True
if options.MPI:
from mpi import mpi_init, mpi_comm_rank, MPI_COMM_WORLD
sys.argv = mpi_init(len(sys.argv), sys.argv)
isRoot = (mpi_comm_rank(MPI_COMM_WORLD) == 0)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import pca
global_def.BATCH = True
vecs = []
vecs = pca(input_stacks, options.subavg, options.rad, options.nvec,
options.incore, options.shuffle, not (options.genbuf),
options.mask, options.MPI)
if isRoot:
for i in range(len(vecs)):
vecs[i].write_image(output_stack, i)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " stack <output_volume> <ssnr_text_file> <reference_structure> <2Dmaskfile> --ou=outer_radius --rw=ring_width --npad=padding_times --CTF --MPI --sign=CTF_sign --sym=symmetry --random_angles=0"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--ou",
type="int",
default=-1,
help=" radius of particle (set to int(nx/2)-1)")
parser.add_option(
"--rw",
type="float",
default=1.0,
help=
" ring width for calculating Fourier shell/ring correlation (set to 1)"
)
parser.add_option("--npad",
type="int",
default=1,
help=" image padding for 3D reconstruction (set to 1)")
parser.add_option(
"--CTF",
action="store_true",
default=False,
help=
" Consider CTF correction during the reconstruction (set to False)")
parser.add_option("--sign",
type="int",
default=1,
help=" sign of the CTF (set to 1)")
parser.add_option("--sym",
type="string",
default="c1",
help=" symmetry of the structure (set to c1)")
parser.add_option("--MPI",
action="store_true",
default=False,
help=" use MPI version ")
parser.add_option(
"--random_angles",
type="int",
default="0",
help=" randomize Euler angles: 0 - no, 1 - only psi, 2 - all three")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 1 or len(args) > 4:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
stack = args[0]
if len(args) == 1:
out_vol = "SSNR.spi"
ssnr_file = "ssnr"
reference = None
mask = None
elif len(args) == 2:
out_vol = args[1]
ssnr_file = "ssnr"
reference = None
mask = None
elif len(args) == 3:
out_vol = args[1]
ssnr_file = args[2]
reference = None
mask = None
elif len(args) == 4:
out_vol = args[1]
ssnr_file = args[2]
reference = args[3]
mask = None
elif len(args) == 5:
out_vol = args[1]
ssnr_file = args[2]
reference = args[3]
mask = args[4]
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import ssnr3d
global_def.BATCH = True
ssnr3d(stack, out_vol, ssnr_file, mask, reference, options.ou,
options.rw, options.npad, options.CTF, options.sign,
options.sym, options.MPI, options.random_angles)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translation_step --dst=delta --center=center --maxit=max_iteration --CTF --snr=SNR --Fourvar=Fourier_variance --Ng=group_number --Function=user_function_name --CUDA --GPUID --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--ir",
type="float",
default=1,
help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option(
"--ou",
type="float",
default=-1,
help=
"outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)"
)
parser.add_option(
"--rs",
type="float",
default=1,
help="step between rings in rotational correlation > 0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default="4 2 1 1",
help="range for translation search in x direction, search is +/xr ")
parser.add_option(
"--yr",
type="string",
default="-1",
help="range for translation search in y direction, search is +/yr ")
parser.add_option("--ts",
type="string",
default="2 1 0.5 0.25",
help="step of translation search in both directions")
parser.add_option("--dst", type="float", default=0.0, help="delta")
parser.add_option(
"--center",
type="float",
default=-1,
help=
"-1.average center method; 0.not centered; 1.phase approximation; 2.cc with Gaussian function; 3.cc with donut-shaped image 4.cc with user-defined reference 5.cc with self-rotated average"
)
parser.add_option(
"--maxit",
type="float",
default=0,
help=
"maximum number of iterations (0 means the maximum iterations is 10, but it will automatically stop should the criterion falls"
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="use CTF correction during alignment ")
parser.add_option("--snr",
type="float",
default=1.0,
help="signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--Fourvar",
action="store_true",
default=False,
help="compute Fourier variance")
parser.add_option("--Ng",
type="int",
default=-1,
help="number of groups in the new CTF filteration")
parser.add_option("--num_ali",
type="int",
default=3,
help="number of independent alignments to do")
parser.add_option(
"--function",
type="string",
default="ref_ali2d",
help="name of the reference preparation function (default ref_ali2d)")
parser.add_option("--CUDA",
action="store_true",
default=False,
help="use CUDA program")
parser.add_option("--GPUID",
type="string",
default="",
help="ID of GPUs available")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version ")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if args[1] == 'None': outdir = None
else: outdir = args[1]
if len(args) == 2: mask = None
else: mask = args[2]
from development import multi_ali2d
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
global_def.BATCH = True
multi_ali2d(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, options.ts, options.dst, options.center, \
options.maxit, options.CTF, options.snr, options.Fourvar, options.Ng, options.num_ali, options.function, options.CUDA, options.GPUID, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + """ input_micrograph_list_file input_micrograph_pattern input_coordinates_pattern output_directory --coordinates_format --box_size=box_size --invert --import_ctf=ctf_file --limit_ctf --resample_ratio=resample_ratio --defocus_error=defocus_error --astigmatism_error=astigmatism_error
Window particles from micrographs in input list file. The coordinates of the particles should be given as input.
Please specify name pattern of input micrographs and coordinates files with a wild card (*). Use the wild card to indicate the place of micrograph ID (e.g. serial number, time stamp, and etc).
The name patterns must be enclosed by single quotes (') or double quotes ("). (Note: sxgui.py automatically adds single quotes (')).
BDB files can not be selected as input micrographs.
sxwindow.py mic_list.txt ./mic*.hdf info/mic*_info.json particles --coordinates_format=eman2 --box_size=64 --invert --import_ctf=outdir_cter/partres/partres.txt
If micrograph list file name is not provided, all files matched with the micrograph name pattern will be processed.
sxwindow.py ./mic*.hdf info/mic*_info.json particles --coordinates_format=eman2 --box_size=64 --invert --import_ctf=outdir_cter/partres/partres.txt
"""
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--coordinates_format",
type="string",
default="eman1",
help=
"format of input coordinates files: 'sparx', 'eman1', 'eman2', or 'spider'. the coordinates of sparx, eman2, and spider format is particle center. the coordinates of eman1 format is particle box conner associated with the original box size. (default eman1)"
)
parser.add_option(
"--box_size",
type="int",
default=256,
help=
"x and y dimension of square area to be windowed (in pixels): pixel size after resampling is assumed when resample_ratio < 1.0 (default 256)"
)
parser.add_option(
"--invert",
action="store_true",
default=False,
help="invert image contrast: recommended for cryo data (default False)"
)
parser.add_option(
"--import_ctf",
type="string",
default="",
help="file name of sxcter output: normally partres.txt (default none)")
parser.add_option(
"--limit_ctf",
action="store_true",
default=False,
help=
"filter micrographs based on the CTF limit: this option requires --import_ctf. (default False)"
)
parser.add_option(
"--resample_ratio",
type="float",
default=1.0,
help=
"ratio of new to old image size (or old to new pixel size) for resampling: Valid range is 0.0 < resample_ratio <= 1.0. (default 1.0)"
)
parser.add_option(
"--defocus_error",
type="float",
default=1000000.0,
help=
"defocus errror limit: exclude micrographs whose relative defocus error as estimated by sxcter is larger than defocus_error percent. the error is computed as (std dev defocus)/defocus*100%. (default 1000000.0)"
)
parser.add_option(
"--astigmatism_error",
type="float",
default=360.0,
help=
"astigmatism error limit: Set to zero astigmatism for micrographs whose astigmatism angular error as estimated by sxcter is larger than astigmatism_error degrees. (default 360.0)"
)
### detect if program is running under MPI
RUNNING_UNDER_MPI = "OMPI_COMM_WORLD_SIZE" in os.environ
main_node = 0
if RUNNING_UNDER_MPI:
from mpi import mpi_init
from mpi import MPI_COMM_WORLD, mpi_comm_rank, mpi_comm_size, mpi_barrier, mpi_reduce, MPI_INT, MPI_SUM
mpi_init(0, [])
myid = mpi_comm_rank(MPI_COMM_WORLD)
number_of_processes = mpi_comm_size(MPI_COMM_WORLD)
else:
number_of_processes = 1
myid = 0
(options, args) = parser.parse_args(sys.argv[1:])
mic_list_file_path = None
mic_pattern = None
coords_pattern = None
error_status = None
while True:
if len(args) < 3 or len(args) > 4:
error_status = (
"Please check usage for number of arguments.\n Usage: " +
usage + "\n" + "Please run %s -h for help." % (progname),
getframeinfo(currentframe()))
break
if len(args) == 3:
mic_pattern = args[0]
coords_pattern = args[1]
out_dir = args[2]
else: # assert(len(args) == 4)
mic_list_file_path = args[0]
mic_pattern = args[1]
coords_pattern = args[2]
out_dir = args[3]
if mic_list_file_path != None:
if os.path.splitext(mic_list_file_path)[1] != ".txt":
error_status = (
"Extension of input micrograph list file must be \".txt\". Please check input_micrograph_list_file argument. Run %s -h for help."
% (progname), getframeinfo(currentframe()))
break
if mic_pattern[:len("bdb:")].lower() == "bdb":
error_status = (
"BDB file can not be selected as input micrographs. Please convert the format, and restart the program. Run %s -h for help."
% (progname), getframeinfo(currentframe()))
break
if mic_pattern.find("*") == -1:
error_status = (
"Input micrograph file name pattern must contain wild card (*). Please check input_micrograph_pattern argument. Run %s -h for help."
% (progname), getframeinfo(currentframe()))
break
if coords_pattern.find("*") == -1:
error_status = (
"Input coordinates file name pattern must contain wild card (*). Please check input_coordinates_pattern argument. Run %s -h for help."
% (progname), getframeinfo(currentframe()))
break
if myid == main_node:
if os.path.exists(out_dir):
error_status = (
"Output directory exists. Please change the name and restart the program.",
getframeinfo(currentframe()))
break
break
if_error_then_all_processes_exit_program(error_status)
# Check invalid conditions of options
check_options(options, progname)
mic_name_list = None
error_status = None
if myid == main_node:
if mic_list_file_path != None:
print("Loading micrograph list from %s file ..." %
(mic_list_file_path))
mic_name_list = read_text_file(mic_list_file_path)
if len(mic_name_list) == 0:
print("Directory of first micrograph entry is " %
(os.path.dirname(mic_name_list[0])))
else: # assert (mic_list_file_path == None)
print("Generating micrograph list in %s directory..." %
(os.path.dirname(mic_pattern)))
mic_name_list = glob.glob(mic_pattern)
if len(mic_name_list) == 0:
error_status = (
"No micrograph file is found. Please check input_micrograph_pattern and/or input_micrograph_list_file argument. Run %s -h for help."
% (progname), getframeinfo(currentframe()))
else:
print("Found %d microgarphs" % len(mic_name_list))
if_error_then_all_processes_exit_program(error_status)
if RUNNING_UNDER_MPI:
mic_name_list = wrap_mpi_bcast(mic_name_list, main_node)
coords_name_list = None
error_status = None
if myid == main_node:
coords_name_list = glob.glob(coords_pattern)
if len(coords_name_list) == 0:
error_status = (
"No coordinates file is found. Please check input_coordinates_pattern argument. Run %s -h for help."
% (progname), getframeinfo(currentframe()))
if_error_then_all_processes_exit_program(error_status)
if RUNNING_UNDER_MPI:
coords_name_list = wrap_mpi_bcast(coords_name_list, main_node)
##################################################################################################################################################################################################################
##################################################################################################################################################################################################################
##################################################################################################################################################################################################################
# all processes must have access to indices
if options.import_ctf:
i_enum = -1
i_enum += 1
idx_cter_def = i_enum # defocus [um]; index must be same as ctf object format
i_enum += 1
idx_cter_cs = i_enum # Cs [mm]; index must be same as ctf object format
i_enum += 1
idx_cter_vol = i_enum # voltage[kV]; index must be same as ctf object format
i_enum += 1
idx_cter_apix = i_enum # pixel size [A]; index must be same as ctf object format
i_enum += 1
idx_cter_bfactor = i_enum # B-factor [A^2]; index must be same as ctf object format
i_enum += 1
idx_cter_ac = i_enum # amplitude contrast [%]; index must be same as ctf object format
i_enum += 1
idx_cter_astig_amp = i_enum # astigmatism amplitude [um]; index must be same as ctf object format
i_enum += 1
idx_cter_astig_ang = i_enum # astigmatism angle [degree]; index must be same as ctf object format
i_enum += 1
idx_cter_sd_def = i_enum # std dev of defocus [um]
i_enum += 1
idx_cter_sd_astig_amp = i_enum # std dev of ast amp [A]
i_enum += 1
idx_cter_sd_astig_ang = i_enum # std dev of ast angle [degree]
i_enum += 1
idx_cter_cv_def = i_enum # coefficient of variation of defocus [%]
i_enum += 1
idx_cter_cv_astig_amp = i_enum # coefficient of variation of ast amp [%]
i_enum += 1
idx_cter_spectra_diff = i_enum # average of differences between with- and without-astig. experimental 1D spectra at extrema
i_enum += 1
idx_cter_error_def = i_enum # frequency at which signal drops by 50% due to estimated error of defocus alone [1/A]
i_enum += 1
idx_cter_error_astig = i_enum # frequency at which signal drops by 50% due to estimated error of defocus and astigmatism [1/A]
i_enum += 1
idx_cter_error_ctf = i_enum # limit frequency by CTF error [1/A]
i_enum += 1
idx_cter_mic_name = i_enum # micrograph name
i_enum += 1
n_idx_cter = i_enum
# Prepare loop variables
mic_basename_pattern = os.path.basename(
mic_pattern) # file pattern without path
mic_baseroot_pattern = os.path.splitext(mic_basename_pattern)[
0] # file pattern without path and extension
coords_format = options.coordinates_format.lower()
box_size = options.box_size
box_half = box_size // 2
mask2d = model_circle(
box_size // 2, box_size, box_size
) # Create circular 2D mask to Util.infomask of particle images
resample_ratio = options.resample_ratio
n_mic_process = 0
n_mic_reject_no_coords = 0
n_mic_reject_no_cter_entry = 0
n_global_coords_detect = 0
n_global_coords_process = 0
n_global_coords_reject_out_of_boundary = 0
serial_id_list = []
error_status = None
## not a real while, an if with the opportunity to use break when errors need to be reported
while myid == main_node:
#
# NOTE: 2016/05/24 Toshio Moriya
# Now, ignores the path in mic_pattern and entries of mic_name_list to create serial ID
# Only the basename (file name) in micrograph path must be match
#
# Create list of micrograph serial ID
# Break micrograph name pattern into prefix and suffix to find the head index of the micrograph serial id
#
mic_basename_tokens = mic_basename_pattern.split('*')
# assert (len(mic_basename_tokens) == 2)
serial_id_head_index = len(mic_basename_tokens[0])
# Loop through micrograph names
for mic_name in mic_name_list:
# Find the tail index of the serial id and extract serial id from the micrograph name
mic_basename = os.path.basename(mic_name)
serial_id_tail_index = mic_basename.index(mic_basename_tokens[1])
serial_id = mic_basename[serial_id_head_index:serial_id_tail_index]
serial_id_list.append(serial_id)
# assert (len(serial_id_list) == len(mic_name))
del mic_name_list # Do not need this anymore
# Load CTFs if necessary
if options.import_ctf:
ctf_list = read_text_row(options.import_ctf)
# print("Detected CTF entries : %6d ..." % (len(ctf_list)))
if len(ctf_list) == 0:
error_status = (
"No CTF entry is found in %s. Please check --import_ctf option. Run %s -h for help."
% (options.import_ctf, progname),
getframeinfo(currentframe()))
break
if (len(ctf_list[0]) != n_idx_cter):
error_status = (
"Number of columns (%d) must be %d in %s. The format might be old. Please run sxcter.py again."
% (len(ctf_list[0]), n_idx_cter, options.import_ctf),
getframeinfo(currentframe()))
break
ctf_dict = {}
n_reject_defocus_error = 0
ctf_error_limit = [
options.defocus_error / 100.0, options.astigmatism_error
]
for ctf_params in ctf_list:
assert (len(ctf_params) == n_idx_cter)
# mic_baseroot is name of micrograph minus the path and extension
mic_baseroot = os.path.splitext(
os.path.basename(ctf_params[idx_cter_mic_name]))[0]
if (ctf_params[idx_cter_sd_def] / ctf_params[idx_cter_def] >
ctf_error_limit[0]):
print(
"Defocus error %f exceeds the threshold. Micrograph %s is rejected."
% (ctf_params[idx_cter_sd_def] /
ctf_params[idx_cter_def], mic_baseroot))
n_reject_defocus_error += 1
else:
if (ctf_params[idx_cter_sd_astig_ang] >
ctf_error_limit[1]):
ctf_params[idx_cter_astig_amp] = 0.0
ctf_params[idx_cter_astig_ang] = 0.0
ctf_dict[mic_baseroot] = ctf_params
del ctf_list # Do not need this anymore
break
if_error_then_all_processes_exit_program(error_status)
if options.import_ctf:
if options.limit_ctf:
cutoff_histogram = [
] #@ming compute the histogram for micrographs cut of by ctf_params limit.
##################################################################################################################################################################################################################
##################################################################################################################################################################################################################
##################################################################################################################################################################################################################
restricted_serial_id_list = []
if myid == main_node:
# Loop over serial IDs of micrographs
for serial_id in serial_id_list:
# mic_baseroot is name of micrograph minus the path and extension
mic_baseroot = mic_baseroot_pattern.replace("*", serial_id)
mic_name = mic_pattern.replace("*", serial_id)
coords_name = coords_pattern.replace("*", serial_id)
########### # CHECKS: BEGIN
if coords_name not in coords_name_list:
print(" Cannot read %s. Skipping %s ..." %
(coords_name, mic_baseroot))
n_mic_reject_no_coords += 1
continue
# IF mic is in CTER results
if options.import_ctf:
if mic_baseroot not in ctf_dict:
print(
" Is not listed in CTER results. Skipping %s ..." %
(mic_baseroot))
n_mic_reject_no_cter_entry += 1
continue
else:
ctf_params = ctf_dict[mic_baseroot]
# CHECKS: END
n_mic_process += 1
restricted_serial_id_list.append(serial_id)
# restricted_serial_id_list = restricted_serial_id_list[:128] ## for testing against the nonMPI version
if myid != main_node:
if options.import_ctf:
ctf_dict = None
error_status = None
if len(restricted_serial_id_list) < number_of_processes:
error_status = (
'Number of processes (%d) supplied by --np in mpirun cannot be greater than %d (number of micrographs that satisfy all criteria to be processed) '
% (number_of_processes, len(restricted_serial_id_list)),
getframeinfo(currentframe()))
if_error_then_all_processes_exit_program(error_status)
## keep a copy of the original output directory where the final bdb will be created
original_out_dir = out_dir
if RUNNING_UNDER_MPI:
mpi_barrier(MPI_COMM_WORLD)
restricted_serial_id_list = wrap_mpi_bcast(restricted_serial_id_list,
main_node)
mic_start, mic_end = MPI_start_end(len(restricted_serial_id_list),
number_of_processes, myid)
restricted_serial_id_list_not_sliced = restricted_serial_id_list
restricted_serial_id_list = restricted_serial_id_list[
mic_start:mic_end]
if options.import_ctf:
ctf_dict = wrap_mpi_bcast(ctf_dict, main_node)
# generate subdirectories of out_dir, one for each process
out_dir = os.path.join(out_dir, "%03d" % myid)
if myid == main_node:
print(
"Micrographs processed by main process (including percent complete):"
)
len_processed_by_main_node_divided_by_100 = len(
restricted_serial_id_list) / 100.0
##################################################################################################################################################################################################################
##################################################################################################################################################################################################################
##################################################################################################################################################################################################################
##### Starting main parallel execution
for my_idx, serial_id in enumerate(restricted_serial_id_list):
mic_baseroot = mic_baseroot_pattern.replace("*", serial_id)
mic_name = mic_pattern.replace("*", serial_id)
coords_name = coords_pattern.replace("*", serial_id)
if myid == main_node:
print(
mic_name, " ---> % 2.2f%%" %
(my_idx / len_processed_by_main_node_divided_by_100))
mic_img = get_im(mic_name)
# Read coordinates according to the specified format and
# make the coordinates the center of particle image
if coords_format == "sparx":
coords_list = read_text_row(coords_name)
elif coords_format == "eman1":
coords_list = read_text_row(coords_name)
for i in xrange(len(coords_list)):
coords_list[i] = [(coords_list[i][0] + coords_list[i][2] // 2),
(coords_list[i][1] + coords_list[i][3] // 2)]
elif coords_format == "eman2":
coords_list = js_open_dict(coords_name)["boxes"]
for i in xrange(len(coords_list)):
coords_list[i] = [coords_list[i][0], coords_list[i][1]]
elif coords_format == "spider":
coords_list = read_text_row(coords_name)
for i in xrange(len(coords_list)):
coords_list[i] = [coords_list[i][2], coords_list[i][3]]
# else: assert (False) # Unreachable code
# Calculate the new pixel size
if options.import_ctf:
ctf_params = ctf_dict[mic_baseroot]
pixel_size_origin = ctf_params[idx_cter_apix]
if resample_ratio < 1.0:
# assert (resample_ratio > 0.0)
new_pixel_size = pixel_size_origin / resample_ratio
print(
"Resample micrograph to pixel size %6.4f and window segments from resampled micrograph."
% new_pixel_size)
else:
# assert (resample_ratio == 1.0)
new_pixel_size = pixel_size_origin
# Set ctf along with new pixel size in resampled micrograph
ctf_params[idx_cter_apix] = new_pixel_size
else:
# assert (not options.import_ctf)
if resample_ratio < 1.0:
# assert (resample_ratio > 0.0)
print(
"Resample micrograph with ratio %6.4f and window segments from resampled micrograph."
% resample_ratio)
# else:
# assert (resample_ratio == 1.0)
# Apply filters to micrograph
fftip(mic_img)
if options.limit_ctf:
# assert (options.import_ctf)
# Cut off frequency components higher than CTF limit
q1, q2 = ctflimit(box_size, ctf_params[idx_cter_def],
ctf_params[idx_cter_cs],
ctf_params[idx_cter_vol], new_pixel_size)
# This is absolute frequency of CTF limit in scale of original micrograph
if resample_ratio < 1.0:
# assert (resample_ratio > 0.0)
q1 = resample_ratio * q1 / float(
box_size
) # q1 = (pixel_size_origin / new_pixel_size) * q1/float(box_size)
else:
# assert (resample_ratio == 1.0) -> pixel_size_origin == new_pixel_size -> pixel_size_origin / new_pixel_size == 1.0
q1 = q1 / float(box_size)
if q1 < 0.5:
mic_img = filt_tanl(mic_img, q1, 0.01)
cutoff_histogram.append(q1)
# Cut off frequency components lower than the box size can express
mic_img = fft(filt_gaussh(mic_img, resample_ratio / box_size))
# Resample micrograph, map coordinates, and window segments from resampled micrograph using new coordinates
# after resampling by resample_ratio, new pixel size will be pixel_size/resample_ratio = new_pixel_size
# NOTE: 2015/04/13 Toshio Moriya
# resample() efficiently takes care of the case resample_ratio = 1.0 but
# it does not set apix_*. Even though it sets apix_* when resample_ratio < 1.0 ...
mic_img = resample(mic_img, resample_ratio)
if options.invert:
mic_stats = Util.infomask(
mic_img, None, True) # mic_stat[0:mean, 1:SD, 2:min, 3:max]
Util.mul_scalar(mic_img, -1.0)
mic_img += 2 * mic_stats[0]
if options.import_ctf:
from utilities import generate_ctf
ctf_obj = generate_ctf(
ctf_params
) # indexes 0 to 7 (idx_cter_def to idx_cter_astig_ang) must be same in cter format & ctf object format.
# Prepare loop variables
nx = mic_img.get_xsize()
ny = mic_img.get_ysize()
x0 = nx // 2
y0 = ny // 2
n_coords_reject_out_of_boundary = 0
local_stack_name = "bdb:%s#" % out_dir + mic_baseroot + '_ptcls'
local_particle_id = 0 # can be different from coordinates_id
# Loop over coordinates
for coords_id in xrange(len(coords_list)):
x = int(coords_list[coords_id][0])
y = int(coords_list[coords_id][1])
if resample_ratio < 1.0:
# assert (resample_ratio > 0.0)
x = int(x * resample_ratio)
y = int(y * resample_ratio)
# else:
# assert(resample_ratio == 1.0)
if ((0 <= x - box_half) and (x + box_half <= nx)
and (0 <= y - box_half) and (y + box_half <= ny)):
particle_img = Util.window(mic_img, box_size, box_size, 1,
x - x0, y - y0)
else:
print(
"In %s, coordinates ID = %04d (x = %4d, y = %4d, box_size = %4d) is out of micrograph bound, skipping ..."
% (mic_baseroot, coords_id, x, y, box_size))
n_coords_reject_out_of_boundary += 1
continue
particle_img = ramp(particle_img)
particle_stats = Util.infomask(
particle_img, mask2d,
False) # particle_stats[0:mean, 1:SD, 2:min, 3:max]
particle_img -= particle_stats[0]
particle_img /= particle_stats[1]
# NOTE: 2015/04/09 Toshio Moriya
# ptcl_source_image might be redundant information ...
# Consider re-organizing header entries...
particle_img.set_attr("ptcl_source_image", mic_name)
particle_img.set_attr("ptcl_source_coord_id", coords_id)
particle_img.set_attr("ptcl_source_coord", [
int(coords_list[coords_id][0]),
int(coords_list[coords_id][1])
])
particle_img.set_attr("resample_ratio", resample_ratio)
# NOTE: 2015/04/13 Toshio Moriya
# apix_* attributes are updated by resample() only when resample_ratio != 1.0
# Let's make sure header info is consistent by setting apix_* = 1.0
# regardless of options, so it is not passed down the processing line
particle_img.set_attr("apix_x", 1.0)
particle_img.set_attr("apix_y", 1.0)
particle_img.set_attr("apix_z", 1.0)
if options.import_ctf:
particle_img.set_attr("ctf", ctf_obj)
particle_img.set_attr("ctf_applied", 0)
particle_img.set_attr("pixel_size_origin", pixel_size_origin)
# particle_img.set_attr("apix_x", new_pixel_size)
# particle_img.set_attr("apix_y", new_pixel_size)
# particle_img.set_attr("apix_z", new_pixel_size)
# NOTE: 2015/04/13 Toshio Moriya
# Pawel Comment: Micrograph is not supposed to have CTF header info.
# So, let's assume it does not exist & ignore its presence.
# Note that resample() "correctly" updates pixel size of CTF header info if it exists
# elif (particle_img.has_ctff()):
# assert(not options.import_ctf)
# ctf_origin = particle_img.get_attr("ctf_obj")
# pixel_size_origin = round(ctf_origin.apix, 5) # Because SXCTER ouputs up to 5 digits
# particle_img.set_attr("apix_x",pixel_size_origin)
# particle_img.set_attr("apix_y",pixel_size_origin)
# particle_img.set_attr("apix_z",pixel_size_origin)
# print("local_stack_name, local_particle_id", local_stack_name, local_particle_id)
particle_img.write_image(local_stack_name, local_particle_id)
local_particle_id += 1
n_global_coords_detect += len(coords_list)
n_global_coords_process += local_particle_id
n_global_coords_reject_out_of_boundary += n_coords_reject_out_of_boundary
# # MRK_DEBUG: Toshio Moriya 2016/05/03
# # Following codes are for debugging bdb. Delete in future
# result = db_check_dict(local_stack_name)
# print('# MRK_DEBUG: result = db_check_dict(local_stack_name): %s' % (result))
# result = db_list_dicts('bdb:%s' % out_dir)
# print('# MRK_DEBUG: result = db_list_dicts(out_dir): %s' % (result))
# result = db_get_image_info(local_stack_name)
# print('# MRK_DEBUG: result = db_get_image_info(local_stack_name)', result)
# Release the data base of local stack from this process
# so that the subprocess can access to the data base
db_close_dict(local_stack_name)
# # MRK_DEBUG: Toshio Moriya 2016/05/03
# # Following codes are for debugging bdb. Delete in future
# cmd_line = "e2iminfo.py %s" % (local_stack_name)
# print('# MRK_DEBUG: Executing the command: %s' % (cmd_line))
# cmdexecute(cmd_line)
# # MRK_DEBUG: Toshio Moriya 2016/05/03
# # Following codes are for debugging bdb. Delete in future
# cmd_line = "e2iminfo.py bdb:%s#data" % (out_dir)
# print('# MRK_DEBUG: Executing the command: %s' % (cmd_line))
# cmdexecute(cmd_line)
if RUNNING_UNDER_MPI:
if options.import_ctf:
if options.limit_ctf:
cutoff_histogram = wrap_mpi_gatherv(cutoff_histogram,
main_node)
if myid == main_node:
if options.limit_ctf:
# Print out the summary of CTF-limit filtering
print(" ")
print("Global summary of CTF-limit filtering (--limit_ctf) ...")
print("Percentage of filtered micrographs: %8.2f\n" %
(len(cutoff_histogram) * 100.0 /
len(restricted_serial_id_list_not_sliced)))
n_bins = 10
if len(cutoff_histogram) >= n_bins:
from statistics import hist_list
cutoff_region, cutoff_counts = hist_list(
cutoff_histogram, n_bins)
print(" Histogram of cut-off frequency")
print(" cut-off counts")
for bin_id in xrange(n_bins):
print(" %14.7f %7d" %
(cutoff_region[bin_id], cutoff_counts[bin_id]))
else:
print(
"The number of filtered micrographs (%d) is less than the number of bins (%d). No histogram is produced."
% (len(cutoff_histogram), n_bins))
n_mic_process = mpi_reduce(n_mic_process, 1, MPI_INT, MPI_SUM, main_node,
MPI_COMM_WORLD)
n_mic_reject_no_coords = mpi_reduce(n_mic_reject_no_coords, 1, MPI_INT,
MPI_SUM, main_node, MPI_COMM_WORLD)
n_mic_reject_no_cter_entry = mpi_reduce(n_mic_reject_no_cter_entry, 1,
MPI_INT, MPI_SUM, main_node,
MPI_COMM_WORLD)
n_global_coords_detect = mpi_reduce(n_global_coords_detect, 1, MPI_INT,
MPI_SUM, main_node, MPI_COMM_WORLD)
n_global_coords_process = mpi_reduce(n_global_coords_process, 1, MPI_INT,
MPI_SUM, main_node, MPI_COMM_WORLD)
n_global_coords_reject_out_of_boundary = mpi_reduce(
n_global_coords_reject_out_of_boundary, 1, MPI_INT, MPI_SUM, main_node,
MPI_COMM_WORLD)
# Print out the summary of all micrographs
if main_node == myid:
print(" ")
print("Global summary of micrographs ...")
print("Detected : %6d" %
(len(restricted_serial_id_list_not_sliced)))
print("Processed : %6d" % (n_mic_process))
print("Rejected by no coordinates file : %6d" %
(n_mic_reject_no_coords))
print("Rejected by no CTER entry : %6d" %
(n_mic_reject_no_cter_entry))
print(" ")
print("Global summary of coordinates ...")
print("Detected : %6d" %
(n_global_coords_detect))
print("Processed : %6d" %
(n_global_coords_process))
print("Rejected by out of boundary : %6d" %
(n_global_coords_reject_out_of_boundary))
# print(" ")
# print("DONE!!!")
mpi_barrier(MPI_COMM_WORLD)
if main_node == myid:
import time
time.sleep(1)
print("\n Creating bdb:%s/data\n" % original_out_dir)
for proc_i in range(number_of_processes):
mic_start, mic_end = MPI_start_end(
len(restricted_serial_id_list_not_sliced), number_of_processes,
proc_i)
for serial_id in restricted_serial_id_list_not_sliced[
mic_start:mic_end]:
e2bdb_command = "e2bdb.py "
mic_baseroot = mic_baseroot_pattern.replace("*", serial_id)
if RUNNING_UNDER_MPI:
e2bdb_command += "bdb:" + os.path.join(
original_out_dir,
"%03d/" % proc_i) + mic_baseroot + "_ptcls "
else:
e2bdb_command += "bdb:" + os.path.join(
original_out_dir, mic_baseroot + "_ptcls ")
e2bdb_command += " --appendvstack=bdb:%s/data 1>/dev/null" % original_out_dir
cmdexecute(e2bdb_command, printing_on_success=False)
print("Done!\n")
if RUNNING_UNDER_MPI:
mpi_barrier(MPI_COMM_WORLD)
from mpi import mpi_finalize
mpi_finalize()
sys.stdout.flush()
sys.exit(0)
def main():
from logger import Logger, BaseLogger_Files
arglist = []
i = 0
while (i < len(sys.argv)):
if sys.argv[i] == '-p4pg':
i = i + 2
elif sys.argv[i] == '-p4wd':
i = i + 2
else:
arglist.append(sys.argv[i])
i = i + 1
progname = os.path.basename(arglist[0])
usage = progname + " stack outdir <mask> --focus=3Dmask --radius=outer_radius --delta=angular_step" +\
"--an=angular_neighborhood --maxit=max_iter --CTF --sym=c1 --function=user_function --independent=indenpendent_runs --number_of_images_per_group=number_of_images_per_group --low_pass_filter=.25 --seed=random_seed"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--focus",
type="string",
default='',
help="bineary 3D mask for focused clustering ")
parser.add_option(
"--ir",
type="int",
default=1,
help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option(
"--radius",
type="int",
default=-1,
help=
"particle radius in pixel for rotational correlation <nx-1 (set to the radius of the particle)"
)
parser.add_option("--maxit",
type="int",
default=25,
help="maximum number of iteration")
parser.add_option(
"--rs",
type="int",
default=1,
help="step between rings in rotational correlation >0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default='1',
help="range for translation search in x direction, search is +/-xr ")
parser.add_option(
"--yr",
type="string",
default='-1',
help=
"range for translation search in y direction, search is +/-yr (default = same as xr)"
)
parser.add_option(
"--ts",
type="string",
default='0.25',
help=
"step size of the translation search in both directions direction, search is -xr, -xr+ts, 0, xr-ts, xr "
)
parser.add_option("--delta",
type="string",
default='2',
help="angular step of reference projections")
parser.add_option("--an",
type="string",
default='-1',
help="angular neighborhood for local searches")
parser.add_option(
"--center",
type="int",
default=0,
help=
"0 - if you do not want the volume to be centered, 1 - center the volume using cog (default=0)"
)
parser.add_option(
"--nassign",
type="int",
default=1,
help=
"number of reassignment iterations performed for each angular step (set to 3) "
)
parser.add_option(
"--nrefine",
type="int",
default=0,
help=
"number of alignment iterations performed for each angular step (set to 0)"
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="do CTF correction during clustring")
parser.add_option(
"--stoprnct",
type="float",
default=3.0,
help="Minimum percentage of assignment change to stop the program")
parser.add_option("--sym",
type="string",
default='c1',
help="symmetry of the structure ")
parser.add_option("--function",
type="string",
default='do_volume_mrk05',
help="name of the reference preparation function")
parser.add_option("--independent",
type="int",
default=3,
help="number of independent run")
parser.add_option("--number_of_images_per_group",
type="int",
default=1000,
help="number of groups")
parser.add_option(
"--low_pass_filter",
type="float",
default=-1.0,
help=
"absolute frequency of low-pass filter for 3d sorting on the original image size"
)
parser.add_option("--nxinit",
type="int",
default=64,
help="initial image size for sorting")
parser.add_option("--unaccounted",
action="store_true",
default=False,
help="reconstruct the unaccounted images")
parser.add_option(
"--seed",
type="int",
default=-1,
help="random seed for create initial random assignment for EQ Kmeans")
parser.add_option("--smallest_group",
type="int",
default=500,
help="minimum members for identified group")
parser.add_option("--sausage",
action="store_true",
default=False,
help="way of filter volume")
parser.add_option("--chunk0",
type="string",
default='',
help="chunk0 for computing margin of error")
parser.add_option("--chunk1",
type="string",
default='',
help="chunk1 for computing margin of error")
parser.add_option(
"--PWadjustment",
type="string",
default='',
help=
"1-D power spectrum of PDB file used for EM volume power spectrum correction"
)
parser.add_option(
"--protein_shape",
type="string",
default='g',
help=
"protein shape. It defines protein preferred orientation angles. Currently it has g and f two types "
)
parser.add_option(
"--upscale",
type="float",
default=0.5,
help=" scaling parameter to adjust the power spectrum of EM volumes")
parser.add_option("--wn",
type="int",
default=0,
help="optimal window size for data processing")
parser.add_option(
"--interpolation",
type="string",
default="4nn",
help="3-d reconstruction interpolation method, two options trl and 4nn"
)
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 1 or len(args) > 4:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if len(args) > 2:
mask_file = args[2]
else:
mask_file = None
orgstack = args[0]
masterdir = args[1]
global_def.BATCH = True
#---initialize MPI related variables
from mpi import mpi_init, mpi_comm_size, MPI_COMM_WORLD, mpi_comm_rank, mpi_barrier, mpi_bcast, mpi_bcast, MPI_INT, MPI_CHAR
sys.argv = mpi_init(len(sys.argv), sys.argv)
nproc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
mpi_comm = MPI_COMM_WORLD
main_node = 0
# import some utilities
from utilities import get_im, bcast_number_to_all, cmdexecute, write_text_file, read_text_file, wrap_mpi_bcast, get_params_proj, write_text_row
from applications import recons3d_n_MPI, mref_ali3d_MPI, Kmref_ali3d_MPI
from statistics import k_means_match_clusters_asg_new, k_means_stab_bbenum
from applications import mref_ali3d_EQ_Kmeans, ali3d_mref_Kmeans_MPI
# Create the main log file
from logger import Logger, BaseLogger_Files
if myid == main_node:
log_main = Logger(BaseLogger_Files())
log_main.prefix = masterdir + "/"
else:
log_main = None
#--- fill input parameters into dictionary named after Constants
Constants = {}
Constants["stack"] = args[0]
Constants["masterdir"] = masterdir
Constants["mask3D"] = mask_file
Constants["focus3Dmask"] = options.focus
Constants["indep_runs"] = options.independent
Constants["stoprnct"] = options.stoprnct
Constants[
"number_of_images_per_group"] = options.number_of_images_per_group
Constants["CTF"] = options.CTF
Constants["maxit"] = options.maxit
Constants["ir"] = options.ir
Constants["radius"] = options.radius
Constants["nassign"] = options.nassign
Constants["rs"] = options.rs
Constants["xr"] = options.xr
Constants["yr"] = options.yr
Constants["ts"] = options.ts
Constants["delta"] = options.delta
Constants["an"] = options.an
Constants["sym"] = options.sym
Constants["center"] = options.center
Constants["nrefine"] = options.nrefine
#Constants["fourvar"] = options.fourvar
Constants["user_func"] = options.function
Constants[
"low_pass_filter"] = options.low_pass_filter # enforced low_pass_filter
#Constants["debug"] = options.debug
Constants["main_log_prefix"] = args[1]
#Constants["importali3d"] = options.importali3d
Constants["myid"] = myid
Constants["main_node"] = main_node
Constants["nproc"] = nproc
Constants["log_main"] = log_main
Constants["nxinit"] = options.nxinit
Constants["unaccounted"] = options.unaccounted
Constants["seed"] = options.seed
Constants["smallest_group"] = options.smallest_group
Constants["sausage"] = options.sausage
Constants["chunk0"] = options.chunk0
Constants["chunk1"] = options.chunk1
Constants["PWadjustment"] = options.PWadjustment
Constants["upscale"] = options.upscale
Constants["wn"] = options.wn
Constants["3d-interpolation"] = options.interpolation
Constants["protein_shape"] = options.protein_shape
# -----------------------------------------------------
#
# Create and initialize Tracker dictionary with input options
Tracker = {}
Tracker["constants"] = Constants
Tracker["maxit"] = Tracker["constants"]["maxit"]
Tracker["radius"] = Tracker["constants"]["radius"]
#Tracker["xr"] = ""
#Tracker["yr"] = "-1" # Do not change!
#Tracker["ts"] = 1
#Tracker["an"] = "-1"
#Tracker["delta"] = "2.0"
#Tracker["zoom"] = True
#Tracker["nsoft"] = 0
#Tracker["local"] = False
#Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"]
Tracker["upscale"] = Tracker["constants"]["upscale"]
#Tracker["upscale"] = 0.5
Tracker[
"applyctf"] = False # Should the data be premultiplied by the CTF. Set to False for local continuous.
#Tracker["refvol"] = None
Tracker["nxinit"] = Tracker["constants"]["nxinit"]
#Tracker["nxstep"] = 32
Tracker["icurrentres"] = -1
#Tracker["ireachedres"] = -1
#Tracker["lowpass"] = 0.4
#Tracker["falloff"] = 0.2
#Tracker["inires"] = options.inires # Now in A, convert to absolute before using
Tracker["fuse_freq"] = 50 # Now in A, convert to absolute before using
#Tracker["delpreviousmax"] = False
#Tracker["anger"] = -1.0
#Tracker["shifter"] = -1.0
#Tracker["saturatecrit"] = 0.95
#Tracker["pixercutoff"] = 2.0
#Tracker["directory"] = ""
#Tracker["previousoutputdir"] = ""
#Tracker["eliminated-outliers"] = False
#Tracker["mainiteration"] = 0
#Tracker["movedback"] = False
#Tracker["state"] = Tracker["constants"]["states"][0]
#Tracker["global_resolution"] =0.0
Tracker["orgstack"] = orgstack
#--------------------------------------------------------------------
# import from utilities
from utilities import sample_down_1D_curve, get_initial_ID, remove_small_groups, print_upper_triangular_matrix, print_a_line_with_timestamp
from utilities import print_dict, get_resolution_mrk01, partition_to_groups, partition_independent_runs, get_outliers
from utilities import merge_groups, save_alist, margin_of_error, get_margin_of_error, do_two_way_comparison, select_two_runs, get_ali3d_params
from utilities import counting_projections, unload_dict, load_dict, get_stat_proj, create_random_list, get_number_of_groups, recons_mref
from utilities import apply_low_pass_filter, get_groups_from_partition, get_number_of_groups, get_complementary_elements_total, update_full_dict
from utilities import count_chunk_members, set_filter_parameters_from_adjusted_fsc, get_two_chunks_from_stack
####------------------------------------------------------------------
#
# Get the pixel size; if none, set to 1.0, and the original image size
from utilities import get_shrink_data_huang
if (myid == main_node):
line = strftime("%Y-%m-%d_%H:%M:%S", localtime()) + " =>"
print((line + "Initialization of 3-D sorting"))
a = get_im(orgstack)
nnxo = a.get_xsize()
if (Tracker["nxinit"] > nnxo):
ERROR(
"Image size less than minimum permitted $d" %
Tracker["nxinit"], "sxsort3d.py", 1)
nnxo = -1
else:
if Tracker["constants"]["CTF"]:
i = a.get_attr('ctf')
pixel_size = i.apix
fq = pixel_size / Tracker["fuse_freq"]
else:
pixel_size = 1.0
# No pixel size, fusing computed as 5 Fourier pixels
fq = 5.0 / nnxo
del a
else:
nnxo = 0
fq = 0.0
pixel_size = 1.0
nnxo = bcast_number_to_all(nnxo, source_node=main_node)
if (nnxo < 0):
mpi_finalize()
exit()
pixel_size = bcast_number_to_all(pixel_size, source_node=main_node)
fq = bcast_number_to_all(fq, source_node=main_node)
if Tracker["constants"]["wn"] == 0:
Tracker["constants"]["nnxo"] = nnxo
else:
Tracker["constants"]["nnxo"] = Tracker["constants"]["wn"]
nnxo = Tracker["constants"]["nnxo"]
Tracker["constants"]["pixel_size"] = pixel_size
Tracker["fuse_freq"] = fq
del fq, nnxo, pixel_size
if (Tracker["constants"]["radius"] < 1):
Tracker["constants"][
"radius"] = Tracker["constants"]["nnxo"] // 2 - 2
elif ((2 * Tracker["constants"]["radius"] + 2) >
Tracker["constants"]["nnxo"]):
ERROR("Particle radius set too large!", "sxsort3d.py", 1, myid)
####-----------------------------------------------------------------------------------------
# Master directory
if myid == main_node:
if masterdir == "":
timestring = strftime("_%d_%b_%Y_%H_%M_%S", localtime())
masterdir = "master_sort3d" + timestring
li = len(masterdir)
cmd = "{} {}".format("mkdir", masterdir)
os.system(cmd)
else:
li = 0
li = mpi_bcast(li, 1, MPI_INT, main_node, MPI_COMM_WORLD)[0]
if li > 0:
masterdir = mpi_bcast(masterdir, li, MPI_CHAR, main_node,
MPI_COMM_WORLD)
import string
masterdir = string.join(masterdir, "")
if myid == main_node:
print_dict(Tracker["constants"],
"Permanent settings of 3-D sorting program")
######### create a vstack from input stack to the local stack in masterdir
# stack name set to default
Tracker["constants"]["stack"] = "bdb:" + masterdir + "/rdata"
Tracker["constants"]["ali3d"] = os.path.join(masterdir,
"ali3d_init.txt")
Tracker["constants"]["ctf_params"] = os.path.join(
masterdir, "ctf_params.txt")
Tracker["constants"]["partstack"] = Tracker["constants"][
"ali3d"] # also serves for refinement
if myid == main_node:
total_stack = EMUtil.get_image_count(Tracker["orgstack"])
else:
total_stack = 0
total_stack = bcast_number_to_all(total_stack, source_node=main_node)
mpi_barrier(MPI_COMM_WORLD)
from time import sleep
while not os.path.exists(masterdir):
print("Node ", myid, " waiting...")
sleep(5)
mpi_barrier(MPI_COMM_WORLD)
if myid == main_node:
log_main.add("Sphire sort3d ")
log_main.add("the sort3d master directory is " + masterdir)
#####
###----------------------------------------------------------------------------------
# Initial data analysis and handle two chunk files
from random import shuffle
# Compute the resolution
#### make chunkdir dictionary for computing margin of error
import user_functions
user_func = user_functions.factory[Tracker["constants"]["user_func"]]
chunk_dict = {}
chunk_list = []
if myid == main_node:
chunk_one = read_text_file(Tracker["constants"]["chunk0"])
chunk_two = read_text_file(Tracker["constants"]["chunk1"])
else:
chunk_one = 0
chunk_two = 0
chunk_one = wrap_mpi_bcast(chunk_one, main_node)
chunk_two = wrap_mpi_bcast(chunk_two, main_node)
mpi_barrier(MPI_COMM_WORLD)
######################## Read/write bdb: data on main node ############################
if myid == main_node:
if (orgstack[:4] == "bdb:"):
cmd = "{} {} {}".format(
"e2bdb.py", orgstack,
"--makevstack=" + Tracker["constants"]["stack"])
else:
cmd = "{} {} {}".format("sxcpy.py", orgstack,
Tracker["constants"]["stack"])
junk = cmdexecute(cmd)
cmd = "{} {} {}".format(
"sxheader.py --params=xform.projection",
"--export=" + Tracker["constants"]["ali3d"], orgstack)
junk = cmdexecute(cmd)
cmd = "{} {} {}".format(
"sxheader.py --params=ctf",
"--export=" + Tracker["constants"]["ctf_params"], orgstack)
junk = cmdexecute(cmd)
mpi_barrier(MPI_COMM_WORLD)
########-----------------------------------------------------------------------------
Tracker["total_stack"] = total_stack
Tracker["constants"]["total_stack"] = total_stack
Tracker["shrinkage"] = float(
Tracker["nxinit"]) / Tracker["constants"]["nnxo"]
Tracker[
"radius"] = Tracker["constants"]["radius"] * Tracker["shrinkage"]
if Tracker["constants"]["mask3D"]:
Tracker["mask3D"] = os.path.join(masterdir, "smask.hdf")
else:
Tracker["mask3D"] = None
if Tracker["constants"]["focus3Dmask"]:
Tracker["focus3D"] = os.path.join(masterdir, "sfocus.hdf")
else:
Tracker["focus3D"] = None
if myid == main_node:
if Tracker["constants"]["mask3D"]:
mask_3D = get_shrink_3dmask(Tracker["nxinit"],
Tracker["constants"]["mask3D"])
mask_3D.write_image(Tracker["mask3D"])
if Tracker["constants"]["focus3Dmask"]:
mask_3D = get_shrink_3dmask(
Tracker["nxinit"], Tracker["constants"]["focus3Dmask"])
st = Util.infomask(mask_3D, None, True)
if (st[0] == 0.0):
ERROR(
"sxrsort3d",
"incorrect focused mask, after binarize all values zero",
1)
mask_3D.write_image(Tracker["focus3D"])
del mask_3D
if Tracker["constants"]["PWadjustment"] != '':
PW_dict = {}
nxinit_pwsp = sample_down_1D_curve(
Tracker["constants"]["nxinit"], Tracker["constants"]["nnxo"],
Tracker["constants"]["PWadjustment"])
Tracker["nxinit_PW"] = os.path.join(masterdir, "spwp.txt")
if myid == main_node:
write_text_file(nxinit_pwsp, Tracker["nxinit_PW"])
PW_dict[Tracker["constants"]
["nnxo"]] = Tracker["constants"]["PWadjustment"]
PW_dict[Tracker["constants"]["nxinit"]] = Tracker["nxinit_PW"]
Tracker["PW_dict"] = PW_dict
mpi_barrier(MPI_COMM_WORLD)
#-----------------------From two chunks to FSC, and low pass filter-----------------------------------------###
for element in chunk_one:
chunk_dict[element] = 0
for element in chunk_two:
chunk_dict[element] = 1
chunk_list = [chunk_one, chunk_two]
Tracker["chunk_dict"] = chunk_dict
Tracker["P_chunk0"] = len(chunk_one) / float(total_stack)
Tracker["P_chunk1"] = len(chunk_two) / float(total_stack)
### create two volumes to estimate resolution
if myid == main_node:
for index in xrange(2):
write_text_file(
chunk_list[index],
os.path.join(masterdir, "chunk%01d.txt" % index))
mpi_barrier(MPI_COMM_WORLD)
vols = []
for index in xrange(2):
data, old_shifts = get_shrink_data_huang(
Tracker,
Tracker["constants"]["nxinit"],
os.path.join(masterdir, "chunk%01d.txt" % index),
Tracker["constants"]["partstack"],
myid,
main_node,
nproc,
preshift=True)
vol = recons3d_4nn_ctf_MPI(myid=myid,
prjlist=data,
symmetry=Tracker["constants"]["sym"],
finfo=None)
if myid == main_node:
vol.write_image(os.path.join(masterdir, "vol%d.hdf" % index))
vols.append(vol)
mpi_barrier(MPI_COMM_WORLD)
if myid == main_node:
low_pass, falloff, currentres = get_resolution_mrk01(
vols, Tracker["constants"]["radius"],
Tracker["constants"]["nxinit"], masterdir, Tracker["mask3D"])
if low_pass > Tracker["constants"]["low_pass_filter"]:
low_pass = Tracker["constants"]["low_pass_filter"]
else:
low_pass = 0.0
falloff = 0.0
currentres = 0.0
bcast_number_to_all(currentres, source_node=main_node)
bcast_number_to_all(low_pass, source_node=main_node)
bcast_number_to_all(falloff, source_node=main_node)
Tracker["currentres"] = currentres
Tracker["falloff"] = falloff
if Tracker["constants"]["low_pass_filter"] == -1.0:
Tracker["low_pass_filter"] = min(
.45, low_pass / Tracker["shrinkage"]) # no better than .45
else:
Tracker["low_pass_filter"] = min(
.45,
Tracker["constants"]["low_pass_filter"] / Tracker["shrinkage"])
Tracker["lowpass"] = Tracker["low_pass_filter"]
Tracker["falloff"] = .1
Tracker["global_fsc"] = os.path.join(masterdir, "fsc.txt")
############################################################################################
if myid == main_node:
log_main.add("The command-line inputs are as following:")
log_main.add(
"**********************************************************")
for a in sys.argv:
if myid == main_node: log_main.add(a)
if myid == main_node:
log_main.add("number of cpus used in this run is %d" %
Tracker["constants"]["nproc"])
log_main.add(
"**********************************************************")
from filter import filt_tanl
### START 3-D sorting
if myid == main_node:
log_main.add("----------3-D sorting program------- ")
log_main.add(
"current resolution %6.3f for images of original size in terms of absolute frequency"
% Tracker["currentres"])
log_main.add("equivalent to %f Angstrom resolution" %
(Tracker["constants"]["pixel_size"] /
Tracker["currentres"] / Tracker["shrinkage"]))
log_main.add("the user provided enforced low_pass_filter is %f" %
Tracker["constants"]["low_pass_filter"])
#log_main.add("equivalent to %f Angstrom resolution"%(Tracker["constants"]["pixel_size"]/Tracker["constants"]["low_pass_filter"]))
for index in xrange(2):
filt_tanl(
get_im(os.path.join(masterdir, "vol%01d.hdf" % index)),
Tracker["low_pass_filter"],
Tracker["falloff"]).write_image(
os.path.join(masterdir, "volf%01d.hdf" % index))
mpi_barrier(MPI_COMM_WORLD)
from utilities import get_input_from_string
delta = get_input_from_string(Tracker["constants"]["delta"])
delta = delta[0]
from utilities import even_angles
n_angles = even_angles(delta, 0, 180)
this_ali3d = Tracker["constants"]["ali3d"]
sampled = get_stat_proj(Tracker, delta, this_ali3d)
if myid == main_node:
nc = 0
for a in sampled:
if len(sampled[a]) > 0:
nc += 1
log_main.add("total sampled direction %10d at angle step %6.3f" %
(len(n_angles), delta))
log_main.add(
"captured sampled directions %10d percentage covered by data %6.3f"
% (nc, float(nc) / len(n_angles) * 100))
number_of_images_per_group = Tracker["constants"][
"number_of_images_per_group"]
if myid == main_node:
log_main.add("user provided number_of_images_per_group %d" %
number_of_images_per_group)
Tracker["number_of_images_per_group"] = number_of_images_per_group
number_of_groups = get_number_of_groups(total_stack,
number_of_images_per_group)
Tracker["number_of_groups"] = number_of_groups
generation = 0
partition_dict = {}
full_dict = {}
workdir = os.path.join(masterdir, "generation%03d" % generation)
Tracker["this_dir"] = workdir
if myid == main_node:
log_main.add("---- generation %5d" % generation)
log_main.add("number of images per group is set as %d" %
number_of_images_per_group)
log_main.add("the initial number of groups is %10d " %
number_of_groups)
cmd = "{} {}".format("mkdir", workdir)
os.system(cmd)
mpi_barrier(MPI_COMM_WORLD)
list_to_be_processed = range(Tracker["constants"]["total_stack"])
Tracker["this_data_list"] = list_to_be_processed
create_random_list(Tracker)
#################################
full_dict = {}
for iptl in xrange(Tracker["constants"]["total_stack"]):
full_dict[iptl] = iptl
Tracker["full_ID_dict"] = full_dict
#################################
for indep_run in xrange(Tracker["constants"]["indep_runs"]):
Tracker["this_particle_list"] = Tracker["this_indep_list"][
indep_run]
ref_vol = recons_mref(Tracker)
if myid == main_node:
log_main.add("independent run %10d" % indep_run)
mpi_barrier(MPI_COMM_WORLD)
Tracker["this_data_list"] = list_to_be_processed
Tracker["total_stack"] = len(Tracker["this_data_list"])
Tracker["this_particle_text_file"] = os.path.join(
workdir,
"independent_list_%03d.txt" % indep_run) # for get_shrink_data
if myid == main_node:
write_text_file(Tracker["this_data_list"],
Tracker["this_particle_text_file"])
mpi_barrier(MPI_COMM_WORLD)
outdir = os.path.join(workdir, "EQ_Kmeans%03d" % indep_run)
ref_vol = apply_low_pass_filter(ref_vol, Tracker)
mref_ali3d_EQ_Kmeans(ref_vol, outdir,
Tracker["this_particle_text_file"], Tracker)
partition_dict[indep_run] = Tracker["this_partition"]
Tracker["partition_dict"] = partition_dict
Tracker["total_stack"] = len(Tracker["this_data_list"])
Tracker["this_total_stack"] = Tracker["total_stack"]
###############################
do_two_way_comparison(Tracker)
###############################
ref_vol_list = []
from time import sleep
number_of_ref_class = []
for igrp in xrange(len(Tracker["two_way_stable_member"])):
Tracker["this_data_list"] = Tracker["two_way_stable_member"][igrp]
Tracker["this_data_list_file"] = os.path.join(
workdir, "stable_class%d.txt" % igrp)
if myid == main_node:
write_text_file(Tracker["this_data_list"],
Tracker["this_data_list_file"])
data, old_shifts = get_shrink_data_huang(
Tracker,
Tracker["nxinit"],
Tracker["this_data_list_file"],
Tracker["constants"]["partstack"],
myid,
main_node,
nproc,
preshift=True)
volref = recons3d_4nn_ctf_MPI(myid=myid,
prjlist=data,
symmetry=Tracker["constants"]["sym"],
finfo=None)
ref_vol_list.append(volref)
number_of_ref_class.append(len(Tracker["this_data_list"]))
if myid == main_node:
log_main.add("group %d members %d " %
(igrp, len(Tracker["this_data_list"])))
Tracker["number_of_ref_class"] = number_of_ref_class
nx_of_image = ref_vol_list[0].get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"] = Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"] = Tracker["constants"][
"PWadjustment"] # no PW adjustment
if myid == main_node:
for iref in xrange(len(ref_vol_list)):
refdata = [None] * 4
refdata[0] = ref_vol_list[iref]
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
volref.write_image(os.path.join(workdir, "volf_stable.hdf"),
iref)
mpi_barrier(MPI_COMM_WORLD)
Tracker["this_data_list"] = Tracker["this_accounted_list"]
outdir = os.path.join(workdir, "Kmref")
empty_group, res_groups, final_list = ali3d_mref_Kmeans_MPI(
ref_vol_list, outdir, Tracker["this_accounted_text"], Tracker)
Tracker["this_unaccounted_list"] = get_complementary_elements(
list_to_be_processed, final_list)
if myid == main_node:
log_main.add("the number of particles not processed is %d" %
len(Tracker["this_unaccounted_list"]))
write_text_file(Tracker["this_unaccounted_list"],
Tracker["this_unaccounted_text"])
update_full_dict(Tracker["this_unaccounted_list"], Tracker)
#######################################
number_of_groups = len(res_groups)
vol_list = []
number_of_ref_class = []
for igrp in xrange(number_of_groups):
data, old_shifts = get_shrink_data_huang(
Tracker,
Tracker["constants"]["nnxo"],
os.path.join(outdir, "Class%d.txt" % igrp),
Tracker["constants"]["partstack"],
myid,
main_node,
nproc,
preshift=True)
volref = recons3d_4nn_ctf_MPI(myid=myid,
prjlist=data,
symmetry=Tracker["constants"]["sym"],
finfo=None)
vol_list.append(volref)
if (myid == main_node):
npergroup = len(
read_text_file(os.path.join(outdir, "Class%d.txt" % igrp)))
else:
npergroup = 0
npergroup = bcast_number_to_all(npergroup, main_node)
number_of_ref_class.append(npergroup)
Tracker["number_of_ref_class"] = number_of_ref_class
mpi_barrier(MPI_COMM_WORLD)
nx_of_image = vol_list[0].get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"] = Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"]
if myid == main_node:
for ivol in xrange(len(vol_list)):
refdata = [None] * 4
refdata[0] = vol_list[ivol]
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
volref.write_image(
os.path.join(workdir, "volf_of_Classes.hdf"), ivol)
log_main.add("number of unaccounted particles %10d" %
len(Tracker["this_unaccounted_list"]))
log_main.add("number of accounted particles %10d" %
len(Tracker["this_accounted_list"]))
Tracker["this_data_list"] = Tracker[
"this_unaccounted_list"] # reset parameters for the next round calculation
Tracker["total_stack"] = len(Tracker["this_unaccounted_list"])
Tracker["this_total_stack"] = Tracker["total_stack"]
number_of_groups = get_number_of_groups(
len(Tracker["this_unaccounted_list"]), number_of_images_per_group)
Tracker["number_of_groups"] = number_of_groups
while number_of_groups >= 2:
generation += 1
partition_dict = {}
workdir = os.path.join(masterdir, "generation%03d" % generation)
Tracker["this_dir"] = workdir
if myid == main_node:
log_main.add("*********************************************")
log_main.add("----- generation %5d " %
generation)
log_main.add("number of images per group is set as %10d " %
number_of_images_per_group)
log_main.add("the number of groups is %10d " %
number_of_groups)
log_main.add(" number of particles for clustering is %10d" %
Tracker["total_stack"])
cmd = "{} {}".format("mkdir", workdir)
os.system(cmd)
mpi_barrier(MPI_COMM_WORLD)
create_random_list(Tracker)
for indep_run in xrange(Tracker["constants"]["indep_runs"]):
Tracker["this_particle_list"] = Tracker["this_indep_list"][
indep_run]
ref_vol = recons_mref(Tracker)
if myid == main_node:
log_main.add("independent run %10d" % indep_run)
outdir = os.path.join(workdir, "EQ_Kmeans%03d" % indep_run)
Tracker["this_data_list"] = Tracker["this_unaccounted_list"]
#ref_vol=apply_low_pass_filter(ref_vol,Tracker)
mref_ali3d_EQ_Kmeans(ref_vol, outdir,
Tracker["this_unaccounted_text"], Tracker)
partition_dict[indep_run] = Tracker["this_partition"]
Tracker["this_data_list"] = Tracker["this_unaccounted_list"]
Tracker["total_stack"] = len(Tracker["this_unaccounted_list"])
Tracker["partition_dict"] = partition_dict
Tracker["this_total_stack"] = Tracker["total_stack"]
total_list_of_this_run = Tracker["this_unaccounted_list"]
###############################
do_two_way_comparison(Tracker)
###############################
ref_vol_list = []
number_of_ref_class = []
for igrp in xrange(len(Tracker["two_way_stable_member"])):
Tracker["this_data_list"] = Tracker["two_way_stable_member"][
igrp]
Tracker["this_data_list_file"] = os.path.join(
workdir, "stable_class%d.txt" % igrp)
if myid == main_node:
write_text_file(Tracker["this_data_list"],
Tracker["this_data_list_file"])
mpi_barrier(MPI_COMM_WORLD)
data, old_shifts = get_shrink_data_huang(
Tracker,
Tracker["constants"]["nxinit"],
Tracker["this_data_list_file"],
Tracker["constants"]["partstack"],
myid,
main_node,
nproc,
preshift=True)
volref = recons3d_4nn_ctf_MPI(
myid=myid,
prjlist=data,
symmetry=Tracker["constants"]["sym"],
finfo=None)
#volref = filt_tanl(volref, Tracker["constants"]["low_pass_filter"],.1)
if myid == main_node:
volref.write_image(os.path.join(workdir, "vol_stable.hdf"),
iref)
#volref = resample(volref,Tracker["shrinkage"])
ref_vol_list.append(volref)
number_of_ref_class.append(len(Tracker["this_data_list"]))
mpi_barrier(MPI_COMM_WORLD)
Tracker["number_of_ref_class"] = number_of_ref_class
Tracker["this_data_list"] = Tracker["this_accounted_list"]
outdir = os.path.join(workdir, "Kmref")
empty_group, res_groups, final_list = ali3d_mref_Kmeans_MPI(
ref_vol_list, outdir, Tracker["this_accounted_text"], Tracker)
# calculate the 3-D structure of original image size for each group
number_of_groups = len(res_groups)
Tracker["this_unaccounted_list"] = get_complementary_elements(
total_list_of_this_run, final_list)
if myid == main_node:
log_main.add("the number of particles not processed is %d" %
len(Tracker["this_unaccounted_list"]))
write_text_file(Tracker["this_unaccounted_list"],
Tracker["this_unaccounted_text"])
mpi_barrier(MPI_COMM_WORLD)
update_full_dict(Tracker["this_unaccounted_list"], Tracker)
vol_list = []
for igrp in xrange(number_of_groups):
data, old_shifts = get_shrink_data_huang(
Tracker,
Tracker["constants"]["nnxo"],
os.path.join(outdir, "Class%d.txt" % igrp),
Tracker["constants"]["partstack"],
myid,
main_node,
nproc,
preshift=True)
volref = recons3d_4nn_ctf_MPI(
myid=myid,
prjlist=data,
symmetry=Tracker["constants"]["sym"],
finfo=None)
vol_list.append(volref)
mpi_barrier(MPI_COMM_WORLD)
nx_of_image = ref_vol_list[0].get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"] = Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"]
if myid == main_node:
for ivol in xrange(len(vol_list)):
refdata = [None] * 4
refdata[0] = vol_list[ivol]
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
volref.write_image(
os.path.join(workdir, "volf_of_Classes.hdf"), ivol)
log_main.add("number of unaccounted particles %10d" %
len(Tracker["this_unaccounted_list"]))
log_main.add("number of accounted particles %10d" %
len(Tracker["this_accounted_list"]))
del vol_list
mpi_barrier(MPI_COMM_WORLD)
number_of_groups = get_number_of_groups(
len(Tracker["this_unaccounted_list"]),
number_of_images_per_group)
Tracker["number_of_groups"] = number_of_groups
Tracker["this_data_list"] = Tracker["this_unaccounted_list"]
Tracker["total_stack"] = len(Tracker["this_unaccounted_list"])
if Tracker["constants"]["unaccounted"]:
data, old_shifts = get_shrink_data_huang(
Tracker,
Tracker["constants"]["nnxo"],
Tracker["this_unaccounted_text"],
Tracker["constants"]["partstack"],
myid,
main_node,
nproc,
preshift=True)
volref = recons3d_4nn_ctf_MPI(myid=myid,
prjlist=data,
symmetry=Tracker["constants"]["sym"],
finfo=None)
nx_of_image = volref.get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"] = Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"]
if (myid == main_node):
refdata = [None] * 4
refdata[0] = volref
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
#volref = filt_tanl(volref, Tracker["constants"]["low_pass_filter"],.1)
volref.write_image(
os.path.join(workdir, "volf_unaccounted.hdf"))
# Finish program
if myid == main_node: log_main.add("sxsort3d finishes")
mpi_barrier(MPI_COMM_WORLD)
from mpi import mpi_finalize
mpi_finalize()
exit()
def main():
import os
import sys
from optparse import OptionParser
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + """ firstvolume secondvolume maskfile outputfile --wn --step --cutoff --radius --fsc --res_overall --MPI
Compute local resolution in real space within area outlined by the maskfile and within regions wn x wn x wn
"""
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--wn",
type="int",
default=7,
help=
"Size of window within which local real-space FSC is computed (default 7"
)
parser.add_option(
"--step",
type="float",
default=1.0,
help="Shell step in Fourier size in pixels (default 1.0)")
parser.add_option("--cutoff",
type="float",
default=0.5,
help="resolution cut-off for FSC (default 0.5)")
parser.add_option(
"--radius",
type="int",
default=-1,
help=
"if there is no maskfile, sphere with r=radius will be used, by default the radius is nx/2-wn"
)
parser.add_option(
"--fsc",
type="string",
default=None,
help="overall FSC curve (might be truncated) (default no curve)")
parser.add_option("--res_overall",
type="float",
default=-1.0,
help="overall resolution estimated by users")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print "See usage " + usage
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
res_overall = options.res_overall
if options.MPI:
from mpi import mpi_init, mpi_comm_size, mpi_comm_rank, MPI_COMM_WORLD
from mpi import mpi_reduce, mpi_bcast, mpi_barrier, mpi_gatherv, mpi_send, mpi_recv
from mpi import MPI_SUM, MPI_FLOAT, MPI_INT
sys.argv = mpi_init(len(sys.argv), sys.argv)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
main_node = 0
cutoff = options.cutoff
nk = int(options.wn)
if (myid == main_node):
#print sys.argv
vi = get_im(sys.argv[1])
ui = get_im(sys.argv[2])
nx = vi.get_xsize()
ny = vi.get_ysize()
nz = vi.get_zsize()
dis = [nx, ny, nz]
else:
dis = [0, 0, 0, 0]
dis = bcast_list_to_all(dis, myid, source_node=main_node)
if (myid != main_node):
nx = int(dis[0])
ny = int(dis[1])
nz = int(dis[2])
vi = model_blank(nx, ny, nz)
ui = model_blank(nx, ny, nz)
if len(args) == 3:
m = model_circle((min(nx, ny, nz) - nk) // 2, nx, ny, nz)
outvol = args[2]
elif len(args) == 4:
if (myid == main_node):
m = binarize(get_im(args[2]), 0.5)
else:
m = model_blank(nx, ny, nz)
outvol = args[3]
bcast_EMData_to_all(m, myid, main_node)
from statistics import locres
"""
res_overall = 0.5
if myid ==main_node:
fsc_curve = fsc(vi, ui)
for ifreq in xrange(len(fsc_curve[0])-1, -1, -1):
if fsc_curve[1][ifreq] > options.cutoff:
res_overall = fsc_curve[0][ifreq]
break
res_overall = bcast_number_to_all(res_overall, main_node)
"""
freqvol, resolut = locres(vi, ui, m, nk, cutoff, options.step, myid,
main_node, number_of_proc)
if (myid == 0):
if res_overall != -1.0:
freqvol += (res_overall - Util.infomask(freqvol, m, True)[0])
for ifreq in xrange(len(resolut)):
if resolut[ifreq][0] > res_overall:
break
for jfreq in xrange(ifreq, len(resolut)):
resolut[jfreq][1] = 0.0
freqvol.write_image(outvol)
if (options.fsc != None): write_text_row(resolut, options.fsc)
from mpi import mpi_finalize
mpi_finalize()
else:
cutoff = options.cutoff
vi = get_im(args[0])
ui = get_im(args[1])
nn = vi.get_xsize()
nk = int(options.wn)
if len(args) == 3:
m = model_circle((nn - nk) // 2, nn, nn, nn)
outvol = args[2]
elif len(args) == 4:
m = binarize(get_im(args[2]), 0.5)
outvol = args[3]
mc = model_blank(nn, nn, nn, 1.0) - m
vf = fft(vi)
uf = fft(ui)
"""
res_overall = 0.5
fsc_curve = fsc(vi, ui)
for ifreq in xrange(len(fsc_curve[0])-1, -1, -1):
if fsc_curve[1][ifreq] > options.cutoff:
res_overall = fsc_curve[0][ifreq]
break
"""
lp = int(nn / 2 / options.step + 0.5)
step = 0.5 / lp
freqvol = model_blank(nn, nn, nn)
resolut = []
for i in xrange(1, lp):
fl = step * i
fh = fl + step
print lp, i, step, fl, fh
v = fft(filt_tophatb(vf, fl, fh))
u = fft(filt_tophatb(uf, fl, fh))
tmp1 = Util.muln_img(v, v)
tmp2 = Util.muln_img(u, u)
do = Util.infomask(square_root(Util.muln_img(tmp1, tmp2)), m,
True)[0]
tmp3 = Util.muln_img(u, v)
dp = Util.infomask(tmp3, m, True)[0]
resolut.append([i, (fl + fh) / 2.0, dp / do])
tmp1 = Util.box_convolution(tmp1, nk)
tmp2 = Util.box_convolution(tmp2, nk)
tmp3 = Util.box_convolution(tmp3, nk)
Util.mul_img(tmp1, tmp2)
tmp1 = square_root(tmp1)
Util.mul_img(tmp1, m)
Util.add_img(tmp1, mc)
Util.mul_img(tmp3, m)
Util.add_img(tmp3, mc)
Util.div_img(tmp3, tmp1)
Util.mul_img(tmp3, m)
freq = (fl + fh) / 2.0
bailout = True
for x in xrange(nn):
for y in xrange(nn):
for z in xrange(nn):
if (m.get_value_at(x, y, z) > 0.5):
if (freqvol.get_value_at(x, y, z) == 0.0):
if (tmp3.get_value_at(x, y, z) < cutoff):
freqvol.set_value_at(x, y, z, freq)
bailout = False
else:
bailout = False
if (bailout): break
print len(resolut)
if res_overall != -1.0:
freqvol += (res_overall - Util.infomask(freqvol, m, True)[0])
for ifreq in xrange(len(resolut)):
if resolut[ifreq][1] > res_overall:
break
for jfreq in xrange(ifreq, len(resolut)):
resolut[jfreq][2] = 0.0
freqvol.write_image(outvol)
if (options.fsc != None): write_text_row(resolut, options.fsc)
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " prj_stack volume [begin end step] --CTF --npad=ntimes_padding --list=file --group=ID --snr=SNR --sym=symmetry --verbose=(0|1) --xysize --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--CTF",
action="store_true",
default=False,
help="apply CTF correction")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio")
parser.add_option("--sym", type="string", default="c1", help="symmetry")
parser.add_option(
"--list",
type="string",
help="file with list of images to be used in the first column")
parser.add_option(
"--group",
type="int",
default=-1,
help=
"perform reconstruction using images for a given group number (group is attribute in the header)"
)
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version ")
parser.add_option("--npad",
type="int",
default=2,
help="number of times padding (default 2)")
parser.add_option("--verbose",
type="int",
default=0,
help="verbose level: 0 no verbose, 1 verbose")
parser.add_option("--xysize",
type="int",
default=-1,
help="user expected size at xy direction")
parser.add_option("--zsize",
type="int",
default=-1,
help="user expected size at z direction")
parser.add_option("--smearstep",
type="float",
default=0.0,
help="Rotational smear step (default 0.0, no smear)")
(options, args) = parser.parse_args(arglist[1:])
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if len(args) == 2:
prj_stack = args[0]
vol_stack = args[1]
nimage = EMUtil.get_image_count(prj_stack)
pid_list = range(0, nimage)
elif len(args) == 5:
prj_stack = args[0]
vol_stack = args[1]
begin = atoi(args[2])
end = atoi(args[3])
step = atoi(args[4])
pid_list = range(begin, end, step)
else:
ERROR("incomplete list of arguments", "recon3d_n", 1)
exit()
if (options.list and options.group > -1):
ERROR("options group and list cannot be used together", "recon3d_n", 1)
sys.exit()
from applications import recons3d_n
global_def.BATCH = True
recons3d_n(prj_stack, pid_list, vol_stack, options.CTF, options.snr, 1, options.npad,\
options.sym, options.list, options.group, options.verbose, options.MPI,options.xysize, options.zsize, options.smearstep)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translational_search_step --delta=angular_step --an=angular_neighborhood --deltapsi=Delta_psi --startpsi=Start_psi --maxit=max_iter --stoprnct=percentage_to_stop --CTF --snr=SNR --ref_a=S --sym=c1 --function=user_function --Fourvar=Fourier_variance --debug --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ir", type= "int", default= 1, help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option("--ou", type= "int", default= -1, help="outer radius for rotational correlation < int(nx/2)-1 (set to the radius of the particle)")
parser.add_option("--rs", type= "int", default= 1, help="step between rings in rotational correlation >0 (set to 1)" )
parser.add_option("--xr", type="string", default= "4 2 1 1 1", help="range for translation search in x direction, search is +/xr")
parser.add_option("--yr", type="string", default= "-1", help="range for translation search in y direction, search is +/yr (default = same as xr)")
parser.add_option("--ts", type="string", default= "1 1 1 0.5 0.25", help="step size of the translation search in both directions, search is -xr, -xr+ts, 0, xr-ts, xr, can be fractional")
parser.add_option("--delta", type="string", default= "10 6 4 3 2", help="angular step of reference projections, (default is a sequence: 10 6 4 3 2")
parser.add_option("--an", type="string", default= "-1", help="angular neighborhood for local searches (phi and theta)")
parser.add_option("--apsi", type="string", default= "-1", help="angular neighborhood for local searches (psi)")
parser.add_option("--deltapsi", type="string", default= "-1", help="Delta psi for coarse search")
parser.add_option("--startpsi", type="string", default= "-1", help="Start psi for coarse search")
#parser.add_option("--center", type="float", default= -1, help="-1: average shift method; 0: no centering; 1: center of gravity (default=-1)")
parser.add_option("--maxit", type="float", default= 5, help="maximum number of iterations performed for each angular step (set to 5) ")
parser.add_option("--stoprnct", type="float", default=0.0, help="Minimum percentage of particles that change orientation to stop the program")
parser.add_option("--CTF", action="store_true", default=False, help="Consider CTF correction during the alignment ")
parser.add_option("--snr", type="float", default= 1.0, help="Signal-to-Noise Ratio of the data")
parser.add_option("--ref_a", type="string", default= "S", help="method for generating the quasi-uniformly distributed projection directions (default S)")
parser.add_option("--sym", type="string", default= "c1", help="symmetry of the refined structure")
parser.add_option("--function", type="string", default="ref_ali3d", help="name of the reference preparation function (ref_ali3d)")
parser.add_option("--MPI", action="store_true", default=False, help="whether to use MPI version")
parser.add_option("--Fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--npad", type="int", default= 2, help="padding size for 3D reconstruction (default=2)")
parser.add_option("--debug", action="store_true", default=False, help="debug")
parser.add_option("--shc", action="store_true", default=False, help="use SHC algorithm")
parser.add_option("--nsoft", type="int", default= 1, help="number of SHC soft assignments (default=1)")
parser.add_option("--nh2", action="store_true", default=False, help="new - SHC2")
parser.add_option("--ns", action="store_true", default=False, help="new - saturn")
parser.add_option("--ns2", action="store_true", default=False, help="new - saturn2")
parser.add_option("--chunk", type="float", default= 0.2, help="percentage of data used for alignment")
parser.add_option("--rantest", action="store_true", default=False, help="rantest")
parser.add_option("--searchpsi",action="store_true", default= False, help="psi refinement")
parser.add_option("--gamma", type="float", default= -1.0, help="gamma")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args) == 3 :
mask = None
else:
mask = args[3]
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
# centering permanently disabled due to the way new polar searches are done
center = 0
if(options.ns):
global_def.BATCH = True
from development import ali3d_saturn
ali3d_saturn(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.MPI, options.stoprnct, gamma=options.gamma)
global_def.BATCH = False
elif(options.ns2):
global_def.BATCH = True
from development import ali3d_saturn2
ali3d_saturn2(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.MPI, options.stoprnct)
global_def.BATCH = False
elif(options.shc):
if not options.MPI:
print "Only MPI version is implemented!!!"
else:
global_def.BATCH = True
if(options.nsoft == 1):
from applications import ali3d_shcMPI
ali3d_shcMPI(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.stoprnct, gamma=options.gamma)
elif(options.nsoft == 0):
from applications import ali3d_shc0MPI
ali3d_shc0MPI(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.stoprnct, gamma=options.gamma)
else:
from multi_shc import ali3d_multishc_soft
import user_functions
options.user_func = user_functions.factory[options.function]
ali3d_multishc_soft(args[0], args[1], options, mpi_comm = None, log = None, nsoft = options.nsoft )
global_def.BATCH = False
elif(options.nh2):
global_def.BATCH = True
from development import ali3d_shc2
ali3d_shc2(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.MPI, options.stoprnct)
global_def.BATCH = False
elif options.searchpsi:
from applications import ali3dpsi_MPI
global_def.BATCH = True
ali3dpsi_MPI(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.stoprnct)
global_def.BATCH = False
else:
if options.rantest:
from development import ali3d_rantest
global_def.BATCH = True
ali3d_rantest(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.stoprnct)
global_def.BATCH = False
else:
from applications import ali3d
global_def.BATCH = True
ali3d(args[0], args[1], args[2], mask, options.ir, options.ou, options.rs, options.xr,
options.yr, options.ts, options.delta, options.an, options.apsi, options.deltapsi, options.startpsi,
center, options.maxit, options.CTF, options.snr, options.ref_a, options.sym,
options.function, options.Fourvar, options.npad, options.debug, options.MPI, options.stoprnct)
global_def.BATCH = False
if options.MPI: mpi_finalize()
def main():
import global_def
from optparse import OptionParser
from EMAN2 import EMUtil
import os
import sys
from time import time
progname = os.path.basename(sys.argv[0])
usage = progname + " proj_stack output_averages --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--img_per_group",type="int" , default=100 , help="number of images per group" )
parser.add_option("--radius", type="int" , default=-1 , help="radius for alignment" )
parser.add_option("--xr", type="string" , default="2 1", help="range for translation search in x direction, search is +/xr")
parser.add_option("--yr", type="string" , default="-1", help="range for translation search in y direction, search is +/yr (default = same as xr)")
parser.add_option("--ts", type="string" , default="1 0.5", help="step size of the translation search in both directions, search is -xr, -xr+ts, 0, xr-ts, xr, can be fractional")
parser.add_option("--iter", type="int" , default=30, help="number of iterations within alignment (default = 30)" )
parser.add_option("--num_ali", type="int" , default=5, help="number of alignments performed for stability (default = 5)" )
parser.add_option("--thld_err", type="float" , default=1.0, help="threshold of pixel error (default = 1.732)" )
parser.add_option("--grouping" , type="string" , default="GRP", help="do grouping of projections: PPR - per projection, GRP - different size groups, exclusive (default), GEV - grouping equal size")
parser.add_option("--delta", type="float" , default=-1.0, help="angular step for reference projections (required for GEV method)")
parser.add_option("--fl", type="float" , default=0.3, help="cut-off frequency of hyperbolic tangent low-pass Fourier filter")
parser.add_option("--aa", type="float" , default=0.2, help="fall-off of hyperbolic tangent low-pass Fourier filter")
parser.add_option("--CTF", action="store_true", default=False, help="Consider CTF correction during the alignment ")
parser.add_option("--MPI" , action="store_true", default=False, help="use MPI version")
(options,args) = parser.parse_args()
from mpi import mpi_init, mpi_comm_rank, mpi_comm_size, MPI_COMM_WORLD, MPI_TAG_UB
from mpi import mpi_barrier, mpi_send, mpi_recv, mpi_bcast, MPI_INT, mpi_finalize, MPI_FLOAT
from applications import MPI_start_end, within_group_refinement, ali2d_ras
from pixel_error import multi_align_stability
from utilities import send_EMData, recv_EMData
from utilities import get_image, bcast_number_to_all, set_params2D, get_params2D
from utilities import group_proj_by_phitheta, model_circle, get_input_from_string
sys.argv = mpi_init(len(sys.argv), sys.argv)
myid = mpi_comm_rank(MPI_COMM_WORLD)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
main_node = 0
if len(args) == 2:
stack = args[0]
outdir = args[1]
else:
ERROR("incomplete list of arguments", "sxproj_stability", 1, myid=myid)
exit()
if not options.MPI:
ERROR("Non-MPI not supported!", "sxproj_stability", myid=myid)
exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
global_def.BATCH = True
#if os.path.exists(outdir): ERROR('Output directory exists, please change the name and restart the program', "sxproj_stability", 1, myid)
#mpi_barrier(MPI_COMM_WORLD)
img_per_grp = options.img_per_group
radius = options.radius
ite = options.iter
num_ali = options.num_ali
thld_err = options.thld_err
xrng = get_input_from_string(options.xr)
if options.yr == "-1": yrng = xrng
else : yrng = get_input_from_string(options.yr)
step = get_input_from_string(options.ts)
if myid == main_node:
nima = EMUtil.get_image_count(stack)
img = get_image(stack)
nx = img.get_xsize()
ny = img.get_ysize()
else:
nima = 0
nx = 0
ny = 0
nima = bcast_number_to_all(nima)
nx = bcast_number_to_all(nx)
ny = bcast_number_to_all(ny)
if radius == -1: radius = nx/2-2
mask = model_circle(radius, nx, nx)
st = time()
if options.grouping == "GRP":
if myid == main_node:
print " A ",myid," ",time()-st
proj_attr = EMUtil.get_all_attributes(stack, "xform.projection")
proj_params = []
for i in xrange(nima):
dp = proj_attr[i].get_params("spider")
phi, theta, psi, s2x, s2y = dp["phi"], dp["theta"], dp["psi"], -dp["tx"], -dp["ty"]
proj_params.append([phi, theta, psi, s2x, s2y])
# Here is where the grouping is done, I didn't put enough annotation in the group_proj_by_phitheta,
# So I will briefly explain it here
# proj_list : Returns a list of list of particle numbers, each list contains img_per_grp particle numbers
# except for the last one. Depending on the number of particles left, they will either form a
# group or append themselves to the last group
# angle_list : Also returns a list of list, each list contains three numbers (phi, theta, delta), (phi,
# theta) is the projection angle of the center of the group, delta is the range of this group
# mirror_list: Also returns a list of list, each list contains img_per_grp True or False, which indicates
# whether it should take mirror position.
# In this program angle_list and mirror list are not of interest.
proj_list_all, angle_list, mirror_list = group_proj_by_phitheta(proj_params, img_per_grp=img_per_grp)
del proj_params
print " B number of groups ",myid," ",len(proj_list_all),time()-st
mpi_barrier(MPI_COMM_WORLD)
# Number of groups, actually there could be one or two more groups, since the size of the remaining group varies
# we will simply assign them to main node.
n_grp = nima/img_per_grp-1
# Divide proj_list_all equally to all nodes, and becomes proj_list
proj_list = []
for i in xrange(n_grp):
proc_to_stay = i%number_of_proc
if proc_to_stay == main_node:
if myid == main_node: proj_list.append(proj_list_all[i])
elif myid == main_node:
mpi_send(len(proj_list_all[i]), 1, MPI_INT, proc_to_stay, MPI_TAG_UB, MPI_COMM_WORLD)
mpi_send(proj_list_all[i], len(proj_list_all[i]), MPI_INT, proc_to_stay, MPI_TAG_UB, MPI_COMM_WORLD)
elif myid == proc_to_stay:
img_per_grp = mpi_recv(1, MPI_INT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
img_per_grp = int(img_per_grp[0])
temp = mpi_recv(img_per_grp, MPI_INT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
proj_list.append(map(int, temp))
del temp
mpi_barrier(MPI_COMM_WORLD)
print " C ",myid," ",time()-st
if myid == main_node:
# Assign the remaining groups to main_node
for i in xrange(n_grp, len(proj_list_all)):
proj_list.append(proj_list_all[i])
del proj_list_all, angle_list, mirror_list
# Compute stability per projection projection direction, equal number assigned, thus overlaps
elif options.grouping == "GEV":
if options.delta == -1.0: ERROR("Angular step for reference projections is required for GEV method","sxproj_stability",1)
from utilities import even_angles, nearestk_to_refdir, getvec
refproj = even_angles(options.delta)
img_begin, img_end = MPI_start_end(len(refproj), number_of_proc, myid)
# Now each processor keeps its own share of reference projections
refprojdir = refproj[img_begin: img_end]
del refproj
ref_ang = [0.0]*(len(refprojdir)*2)
for i in xrange(len(refprojdir)):
ref_ang[i*2] = refprojdir[0][0]
ref_ang[i*2+1] = refprojdir[0][1]+i*0.1
print " A ",myid," ",time()-st
proj_attr = EMUtil.get_all_attributes(stack, "xform.projection")
# the solution below is very slow, do not use it unless there is a problem with the i/O
"""
for i in xrange(number_of_proc):
if myid == i:
proj_attr = EMUtil.get_all_attributes(stack, "xform.projection")
mpi_barrier(MPI_COMM_WORLD)
"""
print " B ",myid," ",time()-st
proj_ang = [0.0]*(nima*2)
for i in xrange(nima):
dp = proj_attr[i].get_params("spider")
proj_ang[i*2] = dp["phi"]
proj_ang[i*2+1] = dp["theta"]
print " C ",myid," ",time()-st
asi = Util.nearestk_to_refdir(proj_ang, ref_ang, img_per_grp)
del proj_ang, ref_ang
proj_list = []
for i in xrange(len(refprojdir)):
proj_list.append(asi[i*img_per_grp:(i+1)*img_per_grp])
del asi
print " D ",myid," ",time()-st
#from sys import exit
#exit()
# Compute stability per projection
elif options.grouping == "PPR":
print " A ",myid," ",time()-st
proj_attr = EMUtil.get_all_attributes(stack, "xform.projection")
print " B ",myid," ",time()-st
proj_params = []
for i in xrange(nima):
dp = proj_attr[i].get_params("spider")
phi, theta, psi, s2x, s2y = dp["phi"], dp["theta"], dp["psi"], -dp["tx"], -dp["ty"]
proj_params.append([phi, theta, psi, s2x, s2y])
img_begin, img_end = MPI_start_end(nima, number_of_proc, myid)
print " C ",myid," ",time()-st
from utilities import nearest_proj
proj_list, mirror_list = nearest_proj(proj_params, img_per_grp, range(img_begin, img_begin+1))#range(img_begin, img_end))
refprojdir = proj_params[img_begin: img_end]
del proj_params, mirror_list
print " D ",myid," ",time()-st
else: ERROR("Incorrect projection grouping option","sxproj_stability",1)
"""
from utilities import write_text_file
for i in xrange(len(proj_list)):
write_text_file(proj_list[i],"projlist%06d_%04d"%(i,myid))
"""
###########################################################################################################
# Begin stability test
from utilities import get_params_proj, read_text_file
#if myid == 0:
# from utilities import read_text_file
# proj_list[0] = map(int, read_text_file("lggrpp0.txt"))
from utilities import model_blank
aveList = [model_blank(nx,ny)]*len(proj_list)
if options.grouping == "GRP": refprojdir = [[0.0,0.0,-1.0]]*len(proj_list)
for i in xrange(len(proj_list)):
print " E ",myid," ",time()-st
class_data = EMData.read_images(stack, proj_list[i])
#print " R ",myid," ",time()-st
if options.CTF :
from filter import filt_ctf
for im in xrange(len(class_data)): # MEM LEAK!!
atemp = class_data[im].copy()
btemp = filt_ctf(atemp, atemp.get_attr("ctf"), binary=1)
class_data[im] = btemp
#class_data[im] = filt_ctf(class_data[im], class_data[im].get_attr("ctf"), binary=1)
for im in class_data:
try:
t = im.get_attr("xform.align2d") # if they are there, no need to set them!
except:
try:
t = im.get_attr("xform.projection")
d = t.get_params("spider")
set_params2D(im, [0.0,-d["tx"],-d["ty"],0,1.0])
except:
set_params2D(im, [0.0, 0.0, 0.0, 0, 1.0])
#print " F ",myid," ",time()-st
# Here, we perform realignment num_ali times
all_ali_params = []
for j in xrange(num_ali):
if( xrng[0] == 0.0 and yrng[0] == 0.0 ):
avet = ali2d_ras(class_data, randomize = True, ir = 1, ou = radius, rs = 1, step = 1.0, dst = 90.0, maxit = ite, check_mirror = True, FH=options.fl, FF=options.aa)
else:
avet = within_group_refinement(class_data, mask, True, 1, radius, 1, xrng, yrng, step, 90.0, ite, options.fl, options.aa)
ali_params = []
for im in xrange(len(class_data)):
alpha, sx, sy, mirror, scale = get_params2D(class_data[im])
ali_params.extend( [alpha, sx, sy, mirror] )
all_ali_params.append(ali_params)
#aveList[i] = avet
#print " G ",myid," ",time()-st
del ali_params
# We determine the stability of this group here.
# stable_set contains all particles deemed stable, it is a list of list
# each list has two elements, the first is the pixel error, the second is the image number
# stable_set is sorted based on pixel error
#from utilities import write_text_file
#write_text_file(all_ali_params, "all_ali_params%03d.txt"%myid)
stable_set, mir_stab_rate, average_pix_err = multi_align_stability(all_ali_params, 0.0, 10000.0, thld_err, False, 2*radius+1)
#print " H ",myid," ",time()-st
if(len(stable_set) > 5):
stable_set_id = []
members = []
pix_err = []
# First put the stable members into attr 'members' and 'pix_err'
for s in stable_set:
# s[1] - number in this subset
stable_set_id.append(s[1])
# the original image number
members.append(proj_list[i][s[1]])
pix_err.append(s[0])
# Then put the unstable members into attr 'members' and 'pix_err'
from fundamentals import rot_shift2D
avet.to_zero()
if options.grouping == "GRP":
aphi = 0.0
atht = 0.0
vphi = 0.0
vtht = 0.0
l = -1
for j in xrange(len(proj_list[i])):
# Here it will only work if stable_set_id is sorted in the increasing number, see how l progresses
if j in stable_set_id:
l += 1
avet += rot_shift2D(class_data[j], stable_set[l][2][0], stable_set[l][2][1], stable_set[l][2][2], stable_set[l][2][3] )
if options.grouping == "GRP":
phi, theta, psi, sxs, sys = get_params_proj(class_data[j])
if( theta > 90.0):
phi = (phi+540.0)%360.0
theta = 180.0 - theta
aphi += phi
atht += theta
vphi += phi*phi
vtht += theta*theta
else:
members.append(proj_list[i][j])
pix_err.append(99999.99)
aveList[i] = avet.copy()
if l>1 :
l += 1
aveList[i] /= l
if options.grouping == "GRP":
aphi /= l
atht /= l
vphi = (vphi - l*aphi*aphi)/l
vtht = (vtht - l*atht*atht)/l
from math import sqrt
refprojdir[i] = [aphi, atht, (sqrt(max(vphi,0.0))+sqrt(max(vtht,0.0)))/2.0]
# Here more information has to be stored, PARTICULARLY WHAT IS THE REFERENCE DIRECTION
aveList[i].set_attr('members', members)
aveList[i].set_attr('refprojdir',refprojdir[i])
aveList[i].set_attr('pixerr', pix_err)
else:
print " empty group ",i, refprojdir[i]
aveList[i].set_attr('members',[-1])
aveList[i].set_attr('refprojdir',refprojdir[i])
aveList[i].set_attr('pixerr', [99999.])
del class_data
if myid == main_node:
km = 0
for i in xrange(number_of_proc):
if i == main_node :
for im in xrange(len(aveList)):
aveList[im].write_image(args[1], km)
km += 1
else:
nl = mpi_recv(1, MPI_INT, i, MPI_TAG_UB, MPI_COMM_WORLD)
nl = int(nl[0])
for im in xrange(nl):
ave = recv_EMData(i, im+i+70000)
nm = mpi_recv(1, MPI_INT, i, MPI_TAG_UB, MPI_COMM_WORLD)
nm = int(nm[0])
members = mpi_recv(nm, MPI_INT, i, MPI_TAG_UB, MPI_COMM_WORLD)
ave.set_attr('members', map(int, members))
members = mpi_recv(nm, MPI_FLOAT, i, MPI_TAG_UB, MPI_COMM_WORLD)
ave.set_attr('pixerr', map(float, members))
members = mpi_recv(3, MPI_FLOAT, i, MPI_TAG_UB, MPI_COMM_WORLD)
ave.set_attr('refprojdir', map(float, members))
ave.write_image(args[1], km)
km += 1
else:
mpi_send(len(aveList), 1, MPI_INT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
for im in xrange(len(aveList)):
send_EMData(aveList[im], main_node,im+myid+70000)
members = aveList[im].get_attr('members')
mpi_send(len(members), 1, MPI_INT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
mpi_send(members, len(members), MPI_INT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
members = aveList[im].get_attr('pixerr')
mpi_send(members, len(members), MPI_FLOAT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
try:
members = aveList[im].get_attr('refprojdir')
mpi_send(members, 3, MPI_FLOAT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
except:
mpi_send([-999.0,-999.0,-999.0], 3, MPI_FLOAT, main_node, MPI_TAG_UB, MPI_COMM_WORLD)
global_def.BATCH = False
mpi_barrier(MPI_COMM_WORLD)
from mpi import mpi_finalize
mpi_finalize()
def main():
import os
import sys
from optparse import OptionParser
from global_def import SPARXVERSION
import global_def
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --ynumber=y_numbers --txs=translational_search_stepx --delta=angular_step --an=angular_neighborhood --center=1 --maxit=max_iter --CTF --snr=1.0 --ref_a=S --sym=c1 --datasym=symdoc --new"
parser = OptionParser(usage, version=SPARXVERSION)
#parser.add_option("--ir", type="float", default= -1, help="inner radius for rotational correlation > 0 (set to 1) (Angstroms)")
parser.add_option(
"--ou",
type="float",
default=-1,
help=
"outer radius for rotational 2D correlation < int(nx/2)-1 (set to the radius of the particle) (Angstroms)"
)
parser.add_option(
"--rs",
type="int",
default=1,
help="step between rings in rotational correlation >0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default=" 4 2 1 1 1",
help=
"range for translation search in x direction, search is +/-xr (Angstroms) "
)
parser.add_option(
"--txs",
type="string",
default="1 1 1 0.5 0.25",
help=
"step size of the translation search in x directions, search is -xr, -xr+ts, 0, xr-ts, xr (Angstroms)"
)
parser.add_option(
"--y_restrict",
type="string",
default="-1 -1 -1 -1 -1",
help=
"range for translational search in y-direction, search is +/-y_restrict in Angstroms. This only applies to local search, i.e., when an is not -1. If y_restrict < 0, then for ihrsrlocalcons (option --localcons local search with consistency), the y search range is set such that it is the same ratio to dp as angular search range is to dphi. For regular ihrsr, y search range is the full range when y_restrict< 0. Default is -1."
)
parser.add_option(
"--ynumber",
type="string",
default="4 8 16 32 32",
help=
"even number of the translation search in y direction, search is (-dpp/2,-dpp/2+dpp/ny,,..,0,..,dpp/2-dpp/ny dpp/2]"
)
parser.add_option("--delta",
type="string",
default=" 10 6 4 3 2",
help="angular step of reference projections")
parser.add_option(
"--an",
type="string",
default="-1",
help=
"angular neighborhood for local searches (default -1, meaning do exhaustive search)"
)
parser.add_option(
"--maxit",
type="int",
default=30,
help=
"maximum number of iterations performed for each angular step (default 30) "
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="CTF correction")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio of the data (default 1)")
parser.add_option("--MPI",
action="store_true",
default=True,
help="use MPI version")
#parser.add_option("--fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--apix",
type="float",
default=-1.0,
help="pixel size in Angstroms")
parser.add_option("--dp",
type="float",
default=-1.0,
help="delta z - translation in Angstroms")
parser.add_option("--dphi",
type="float",
default=-1.0,
help="delta phi - rotation in degrees")
parser.add_option(
"--ndp",
type="int",
default=12,
help=
"In symmetrization search, number of delta z steps equals to 2*ndp+1")
parser.add_option(
"--ndphi",
type="int",
default=12,
help="In symmetrization search,number of dphi steps equas to 2*ndphi+1"
)
parser.add_option("--dp_step",
type="float",
default=0.1,
help="delta z (Angstroms) step for symmetrization")
parser.add_option("--dphi_step",
type="float",
default=0.1,
help="dphi step for symmetrization")
parser.add_option(
"--psi_max",
type="float",
default=10.0,
help=
"maximum psi - how far rotation in plane can can deviate from 90 or 270 degrees (default 10)"
)
parser.add_option("--rmin",
type="float",
default=0.0,
help="minimal radius for hsearch (Angstroms)")
parser.add_option("--rmax",
type="float",
default=80.0,
help="maximal radius for hsearch (Angstroms)")
parser.add_option("--fract",
type="float",
default=0.7,
help="fraction of the volume used for helical search")
parser.add_option("--sym",
type="string",
default="c1",
help="symmetry of the structure")
parser.add_option("--function",
type="string",
default="helical",
help="name of the reference preparation function")
parser.add_option("--datasym",
type="string",
default="datasym.txt",
help="symdoc")
parser.add_option(
"--nise",
type="int",
default=200,
help="start symmetrization after nise steps (default 200)")
parser.add_option("--npad",
type="int",
default=2,
help="padding size for 3D reconstruction, (default 2)")
parser.add_option("--debug",
action="store_true",
default=False,
help="debug")
parser.add_option("--new",
action="store_true",
default=False,
help="use rectangular recon and projection version")
parser.add_option(
"--initial_theta",
type="float",
default=90.0,
help="intial theta for reference projection (default 90)")
parser.add_option(
"--delta_theta",
type="float",
default=1.0,
help="delta theta for reference projection (default 1.0)")
parser.add_option("--WRAP",
type="int",
default=1,
help="do helical wrapping (default 1, meaning yes)")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 1 or len(args) > 5:
print("usage: " + usage + "\n")
print("Please run '" + progname + " -h' for detailed options")
else:
# Convert input arguments in the units/format as expected by ihrsr_MPI in applications.
if options.apix < 0:
print("Please enter pixel size")
sys.exit()
rminp = int((float(options.rmin) / options.apix) + 0.5)
rmaxp = int((float(options.rmax) / options.apix) + 0.5)
from utilities import get_input_from_string, get_im
xr = get_input_from_string(options.xr)
txs = get_input_from_string(options.txs)
y_restrict = get_input_from_string(options.y_restrict)
irp = 1
if options.ou < 0: oup = -1
else: oup = int((options.ou / options.apix) + 0.5)
xrp = ''
txsp = ''
y_restrict2 = ''
for i in xrange(len(xr)):
xrp += " " + str(float(xr[i]) / options.apix)
for i in xrange(len(txs)):
txsp += " " + str(float(txs[i]) / options.apix)
# now y_restrict has the same format as x search range .... has to change ihrsr accordingly
for i in xrange(len(y_restrict)):
y_restrict2 += " " + str(float(y_restrict[i]) / options.apix)
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import ihrsr
global_def.BATCH = True
if len(args) < 4: mask = None
else: mask = args[3]
ihrsr(args[0], args[1], args[2], mask, irp, oup, options.rs, xrp,
options.ynumber, txsp, options.delta, options.initial_theta,
options.delta_theta, options.an, options.maxit, options.CTF,
options.snr, options.dp, options.ndp, options.dp_step,
options.dphi, options.ndphi, options.dphi_step, options.psi_max,
rminp, rmaxp, options.fract, options.nise, options.npad,
options.sym, options.function, options.datasym, options.apix,
options.debug, options.MPI, options.WRAP, y_restrict2)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir --dp=rise --dphi=rotation --apix=pixel_size --phistep=phi_step --zstep=z_step --fract=helicising_fraction --rmax=maximum_radius --rmin=min_radius --CTF --sym=c1 --function=user_function --maxit=max_iter --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--dp",
type="float",
default=1.0,
help="delta z - translation in Angstroms")
parser.add_option("--dphi",
type="float",
default=1.0,
help="delta phi - rotation in degrees")
parser.add_option("--apix",
type="float",
default=1.84,
help="pixel size in Angstroms")
parser.add_option("--rmin",
type="int",
default=0,
help="minimal radial extent of structure")
parser.add_option("--rmax",
type="int",
default=70,
help="maximal radial extent of structure")
parser.add_option("--fract",
type="float",
default=0.66,
help="fraction of the volume used for helical search")
parser.add_option("--sym",
type="string",
default="c1",
help="symmetry of the structure")
parser.add_option("--function",
type="string",
default="helical",
help="name of the reference preparation function")
parser.add_option("--zstep",
type="int",
default=1,
help="Step size for translational search along z")
parser.add_option("--CTF",
action="store_true",
default=False,
help="CTF correction")
parser.add_option("--maxit",
type="int",
default=5,
help="maximum number of iterations performed")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version")
(options, args) = parser.parse_args(arglist[1:])
if len(args) != 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
else:
print "There is only MPI version of sxfilrecons3d.py. See SPARX wiki page for downloading MyMPI details."
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from development import filrecons3D_MPI
global_def.BATCH = True
filrecons3D_MPI(args[0], args[1], args[2], options.dp, options.dphi,
options.apix, options.function, options.zstep,
options.fract, options.rmax, options.rmin, options.CTF,
options.maxit, options.sym)
global_def.BATCH = False
if options.MPI: mpi_finalize()
def main(args):
from utilities import if_error_then_all_processes_exit_program, write_text_row, drop_image, model_gauss_noise, get_im, set_params_proj, wrap_mpi_bcast, model_circle
from logger import Logger, BaseLogger_Files
from mpi import mpi_init, mpi_finalize, MPI_COMM_WORLD, mpi_comm_rank, mpi_comm_size, mpi_barrier
import user_functions
import sys
import os
from applications import MPI_start_end
from optparse import OptionParser, SUPPRESS_HELP
from global_def import SPARXVERSION
from EMAN2 import EMData
from multi_shc import multi_shc
progname = os.path.basename(sys.argv[0])
usage = progname + " stack [output_directory] --ir=inner_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translational_search_step --delta=angular_step --center=center_type --maxit1=max_iter1 --maxit2=max_iter2 --L2threshold=0.1 --ref_a=S --sym=c1"
usage += """
stack 2D images in a stack file: (default required string)
directory output directory name: into which the results will be written (if it does not exist, it will be created, if it does exist, the results will be written possibly overwriting previous results) (default required string)
"""
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--radius",
type="int",
help=
"radius of the particle: has to be less than < int(nx/2)-1 (default required int)"
)
parser.add_option(
"--xr",
type="string",
default='0',
help=
"range for translation search in x direction: search is +/xr in pixels (default '0')"
)
parser.add_option(
"--yr",
type="string",
default='0',
help=
"range for translation search in y direction: if omitted will be set to xr, search is +/yr in pixels (default '0')"
)
parser.add_option("--mask3D",
type="string",
default=None,
help="3D mask file: (default sphere)")
parser.add_option(
"--moon_elimination",
type="string",
default='',
help=
"elimination of disconnected pieces: two arguments: mass in KDa and pixel size in px/A separated by comma, no space (default none)"
)
parser.add_option(
"--ir",
type="int",
default=1,
help="inner radius for rotational search: > 0 (default 1)")
# 'radius' and 'ou' are the same as per Pawel's request; 'ou' is hidden from the user
# the 'ou' variable is not changed to 'radius' in the 'sparx' program. This change is at interface level only for sxviper.
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--ou", type="int", default=-1, help=SUPPRESS_HELP)
parser.add_option(
"--rs",
type="int",
default=1,
help="step between rings in rotational search: >0 (default 1)")
parser.add_option(
"--ts",
type="string",
default='1.0',
help=
"step size of the translation search in x-y directions: search is -xr, -xr+ts, 0, xr-ts, xr, can be fractional (default '1.0')"
)
parser.add_option(
"--delta",
type="string",
default='2.0',
help="angular step of reference projections: (default '2.0')")
parser.add_option(
"--center",
type="float",
default=-1.0,
help=
"centering of 3D template: average shift method; 0: no centering; 1: center of gravity (default -1.0)"
)
parser.add_option(
"--maxit1",
type="int",
default=400,
help=
"maximum number of iterations performed for the GA part: (default 400)"
)
parser.add_option(
"--maxit2",
type="int",
default=50,
help=
"maximum number of iterations performed for the finishing up part: (default 50)"
)
parser.add_option(
"--L2threshold",
type="float",
default=0.03,
help=
"stopping criterion of GA: given as a maximum relative dispersion of volumes' L2 norms: (default 0.03)"
)
parser.add_option(
"--ref_a",
type="string",
default='S',
help=
"method for generating the quasi-uniformly distributed projection directions: (default S)"
)
parser.add_option(
"--sym",
type="string",
default='c1',
help="point-group symmetry of the structure: (default c1)")
# parser.add_option("--function", type="string", default="ref_ali3d", help="name of the reference preparation function (ref_ali3d by default)")
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--function",
type="string",
default="ref_ali3d",
help=SUPPRESS_HELP)
parser.add_option(
"--nruns",
type="int",
default=6,
help=
"GA population: aka number of quasi-independent volumes (default 6)")
parser.add_option(
"--doga",
type="float",
default=0.1,
help=
"do GA when fraction of orientation changes less than 1.0 degrees is at least doga: (default 0.1)"
)
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--npad",
type="int",
default=2,
help="padding size for 3D reconstruction (default=2)")
parser.add_option(
"--fl",
type="float",
default=0.25,
help=
"cut-off frequency applied to the template volume: using a hyperbolic tangent low-pass filter (default 0.25)"
)
parser.add_option(
"--aa",
type="float",
default=0.1,
help="fall-off of hyperbolic tangent low-pass filter: (default 0.1)")
parser.add_option(
"--pwreference",
type="string",
default='',
help="text file with a reference power spectrum: (default none)")
parser.add_option("--debug",
action="store_true",
default=False,
help="debug info printout: (default False)")
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--return_options",
action="store_true",
dest="return_options",
default=False,
help=SUPPRESS_HELP)
#parser.add_option("--an", type="string", default= "-1", help="NOT USED angular neighborhood for local searches (phi and theta)")
#parser.add_option("--CTF", action="store_true", default=False, help="NOT USED Consider CTF correction during the alignment ")
#parser.add_option("--snr", type="float", default= 1.0, help="NOT USED Signal-to-Noise Ratio of the data (default 1.0)")
# (options, args) = parser.parse_args(sys.argv[1:])
required_option_list = ['radius']
(options, args) = parser.parse_args(args)
# option_dict = vars(options)
# print parser
if options.return_options:
return parser
if options.moon_elimination == "":
options.moon_elimination = []
else:
options.moon_elimination = map(float,
options.moon_elimination.split(","))
# Making sure all required options appeared.
for required_option in required_option_list:
if not options.__dict__[required_option]:
print "\n ==%s== mandatory option is missing.\n" % required_option
print "Please run '" + progname + " -h' for detailed options"
return 1
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
return 1
mpi_init(0, [])
log = Logger(BaseLogger_Files())
# 'radius' and 'ou' are the same as per Pawel's request; 'ou' is hidden from the user
# the 'ou' variable is not changed to 'radius' in the 'sparx' program. This change is at interface level only for sxviper.
options.ou = options.radius
runs_count = options.nruns
mpi_rank = mpi_comm_rank(MPI_COMM_WORLD)
mpi_size = mpi_comm_size(
MPI_COMM_WORLD) # Total number of processes, passed by --np option.
if mpi_rank == 0:
all_projs = EMData.read_images(args[0])
subset = range(len(all_projs))
# if mpi_size > len(all_projs):
# ERROR('Number of processes supplied by --np needs to be less than or equal to %d (total number of images) ' % len(all_projs), 'sxviper', 1)
# mpi_finalize()
# return
else:
all_projs = None
subset = None
outdir = args[1]
if mpi_rank == 0:
if mpi_size % options.nruns != 0:
ERROR(
'Number of processes needs to be a multiple of total number of runs. Total runs by default are 3, you can change it by specifying --nruns option.',
'sxviper', 1)
mpi_finalize()
return
if os.path.exists(outdir):
ERROR(
'Output directory exists, please change the name and restart the program',
"sxviper", 1)
mpi_finalize()
return
os.mkdir(outdir)
import global_def
global_def.LOGFILE = os.path.join(outdir, global_def.LOGFILE)
mpi_barrier(MPI_COMM_WORLD)
if outdir[-1] != "/":
outdir += "/"
log.prefix = outdir
# if len(args) > 2:
# ref_vol = get_im(args[2])
# else:
ref_vol = None
options.user_func = user_functions.factory[options.function]
options.CTF = False
options.snr = 1.0
options.an = -1.0
from multi_shc import multi_shc
out_params, out_vol, out_peaks = multi_shc(all_projs,
subset,
runs_count,
options,
mpi_comm=MPI_COMM_WORLD,
log=log,
ref_vol=ref_vol)
mpi_finalize()
else:
if args[1] == 'None':
outdir = None
else:
outdir = args[1]
if len(args) == 2:
mask = None
else:
mask = args[2]
from sp_development import multi_ali2d
if sp_global_def.CACHE_DISABLE:
from sp_utilities import disable_bdb_cache
disable_bdb_cache()
sp_global_def.BATCH = True
multi_ali2d(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, options.ts, options.dst, options.center, \
options.maxit, options.CTF, options.snr, options.Fourvar, options.Ng, options.num_ali, options.function, options.CUDA, options.GPUID, options.MPI)
sp_global_def.BATCH = False
if __name__ == "__main__":
sp_global_def.print_timestamp("Start")
sp_global_def.write_command()
main()
sp_global_def.print_timestamp("Finish")
mpi.mpi_finalize()
def main():
import os
import sys
from optparse import OptionParser
from global_def import SPARXVERSION, ERROR
import global_def
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --ynumber=y_numbers --txs=translational_search_stepx --delta=angular_step --an=angular_neighborhood --maxit=max_iter --CTF --snr=1.0 --sym=c1 --datasym=symdoc"
parser = OptionParser(usage, version=SPARXVERSION)
#parser.add_option("--ir", type="float", default= -1, help="Inner radius for psi angle search > 0 (set to 1) (Angstroms)")
parser.add_option(
"--ou",
type="float",
default=-1,
help=
"Outer radius for psi angle search < int(nx*pixel_size/2)-1 (Angstroms)"
)
parser.add_option(
"--rs",
type="int",
default=1,
help="Step between rings in rotational correlation >0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default=" 4 2 1 1 1",
help=
"Range for translation search in x direction, search within +/-xr (Angstroms) "
)
parser.add_option(
"--txs",
type="string",
default="1 1 1 0.5 0.25",
help=
"Step size of the translation search in x directions, search is -xr, -xr+ts, 0, xr-ts, xr (Angstroms)"
)
parser.add_option(
"--y_restrict",
type="string",
default="-1 -1 -1 -1 -1",
help=
"Range for translational search in y-direction, search is +/-y_restrict in Angstroms. This only applies to local search, i.e., when an is not -1. If y_restrict < 0, then the y search range is set such that it is the same ratio to dp as angular search range is to dphi. For regular ihrsr, y search range is the full range when y_restrict< 0. Default is -1."
)
parser.add_option(
"--ynumber",
type="string",
default="4 8 16 32 32",
help=
"Even number of the steps for the search in y direction, search is (-dpp/2,-dpp/2+dpp/ny,,..,0,..,dpp/2-dpp/ny dpp/2]"
)
parser.add_option("--delta",
type="string",
default="10 6 4 3 2",
help="Angular step of reference projections")
parser.add_option("--an",
type="string",
default="-1",
help="Angular neighborhood for local searches")
parser.add_option(
"--maxit",
type="int",
default=30,
help=
"Maximum number of iterations performed for each angular step (set to 30) "
)
parser.add_option(
"--searchit",
type="int",
default=1,
help=
"Number of iterations to predict/search before doing reconstruction and updating of reference volume. Default is 1. If maxit=3 and searchit=2, then for each of the 3 inner iterations, 2 iterations of prediction/search will be performed before generating reconstruction."
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="CTF correction")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio of the data")
#parser.add_option("--MPI", action="store_true", default=False, help="use MPI version")
#parser.add_option("--fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--apix",
type="float",
default=-1.0,
help="Pixel size in Angstroms")
parser.add_option("--dp",
type="float",
default=-1.0,
help="Helical symmetry axial rise (Angstroms)")
parser.add_option("--dphi",
type="float",
default=-1.0,
help="Helical symmetry azimuthal angle")
#parser.add_option("--MA", action="store_true", default=False, help="predict consistent parameters based on moving average")
parser.add_option(
"--psi_max",
type="float",
default=10.0,
help=
"Maximum psi - how far rotation in plane can can deviate from 90 or 270 degrees"
)
parser.add_option(
"--rmin",
type="float",
default=0.0,
help="Min radius for application of helical symmetry (Angstroms)")
parser.add_option(
"--rmax",
type="float",
default=80.0,
help="Max radius for application of helical symmetry (Angstroms)")
parser.add_option(
"--fract",
type="float",
default=0.7,
help="Fraction of volume used for application of helical symmetry")
parser.add_option("--sym",
type="string",
default="c1",
help="Point-group symmetry of the filament")
parser.add_option(
"--function",
type="string",
default="helical",
help="Name of the reference preparation function (Default: helical)")
parser.add_option("--npad",
type="int",
default=2,
help="Padding size for 3D reconstruction (default=2)")
parser.add_option("--debug",
action="store_true",
default=False,
help="debug")
parser.add_option(
"--initial_theta",
type="float",
default=90.0,
help=
"Intial theta for out-of-plane tilt search, the range will be (initial theta to 90.0 in steps of delta) (default = 90, no out-of-plane tilt)"
)
parser.add_option(
"--delta_theta",
type="float",
default=1.0,
help="Delta theta for out-of-plane tilt search (default = 1)")
#parser.add_option("--boundaryavg", action="store_true", default=False, help="boundaryavg")
#parser.add_option("--MA_WRAP", type="int", default= 0, help="do wrapping in MA if MA_WRAP=1, else no wrapping in MA. Default is 0.")
parser.add_option(
"--seg_ny",
type="int",
default=256,
help=
"y dimension of desired segment size, should be related to fract in that fract ~ seg_ny/ny, where ny is dimension of input projections. (pixels)"
)
parser.add_option("--new",
action="store_true",
default=False,
help="use new version")
parser.add_option("--snake",
action="store_true",
default=False,
help="use snake method")
parser.add_option(
"--snakeknots",
type="int",
default=-1,
help=
"maximal number of knots for each filament snake. If take default value -1, it will take nseg//2+1, where nseg is the number of segments in the filament"
)
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print "usage: " + usage + "\n"
print "Please run '" + progname + " -h' for detailed options"
else:
global_def.BATCH = True
# Convert input arguments in the units/format as expected by ihrsr_MPI in applications.
if options.apix < 0:
ERROR("Please specify pixel size apix", "sxheliconlocal", 1)
if options.dp < 0 or options.dphi < 0:
ERROR("Please specify helical symmetry parameters dp and dphi",
"sxheliconlocal", 1)
if options.an <= 0:
ERROR(
"Angular search range (an) has to be given. Only local searches are permitted.",
"sxheliconlocal", 1)
print " This code is under development, some instabilities are possible 12/28/2014"
rminp = int((float(options.rmin) / options.apix) + 0.5)
rmaxp = int((float(options.rmax) / options.apix) + 0.5)
from utilities import get_input_from_string, get_im
xr = get_input_from_string(options.xr)
txs = get_input_from_string(options.txs)
y_restrict = get_input_from_string(options.y_restrict)
irp = 1
if options.ou < 0: oup = -1
else: oup = int((options.ou / options.apix) + 0.5)
xrp = ""
txsp = ""
y_restrict2 = ""
for i in xrange(len(xr)):
xrp += str(float(xr[i]) / options.apix) + " "
xrp = xrp[:-1]
for i in xrange(len(txs)):
txsp += str(float(txs[i]) / options.apix) + " "
txsp = txsp[:-1]
# now y_restrict has the same format as x search range .... has to change ihrsr accordingly
for i in xrange(len(y_restrict)):
y_restrict2 += str(float(y_restrict[i]) / options.apix) + " "
y_restrict2 = y_restrict2[:-1]
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import localhelicon_MPI, localhelicon_MPInew, localhelicon_MPIming
if len(args) < 4: mask = None
else: mask = args[3]
if options.new: localhelicon_MPInew(args[0], args[1], args[2], options.seg_ny, mask, irp, oup, options.rs, xrp, options.ynumber, \
txsp, options.delta, options.initial_theta, options.delta_theta, options.an, options.maxit, options.CTF, options.snr, \
options.dp, options.dphi, options.psi_max, \
rminp, rmaxp, options.fract, options.npad,options.sym, options.function,\
options.apix, options.debug, y_restrict2, options.searchit)
elif options.snake: localhelicon_MPIming(args[0], args[1], args[2], options.seg_ny, mask, irp, oup, options.rs, xrp, options.ynumber, \
txsp, options.delta, options.initial_theta, options.delta_theta, options.an, options.maxit, options.CTF, options.snr, \
options.dp, options.dphi, options.psi_max, \
rminp, rmaxp, options.fract, options.npad,options.sym, options.function,\
options.apix, options.debug, y_restrict2, options.searchit, options.snakeknots)
else: localhelicon_MPI(args[0], args[1], args[2], options.seg_ny, mask, irp, oup, options.rs, xrp, options.ynumber, \
txsp, options.delta, options.initial_theta, options.delta_theta, options.an, options.maxit, options.CTF, options.snr, \
options.dp, options.dphi, options.psi_max, \
rminp, rmaxp, options.fract, options.npad,options.sym, options.function,\
options.apix, options.debug, y_restrict2, options.searchit)
global_def.BATCH = False
from mpi import mpi_finalize
mpi_finalize()
def main():
program_name = os.path.basename(sys.argv[0])
usage = program_name + """ input_image_path output_directory --selection_list=selection_list --wn=CTF_WINDOW_SIZE --apix=PIXEL_SIZE --Cs=CS --voltage=VOLTAGE --ac=AMP_CONTRAST --f_start=FREA_START --f_stop=FREQ_STOP --vpp --kboot=KBOOT --overlap_x=OVERLAP_X --overlap_y=OVERLAP_Y --edge_x=EDGE_X --edge_y=EDGE_Y --check_consistency --stack_mode --debug_mode
Automated estimation of CTF parameters with error assessment.
All Micrographs Mode - Process all micrographs in a directory:
Specify a list of input micrographs using a wild card (*), called here input micrographs path pattern.
Use the wild card to indicate the place of variable part of the file names (e.g. serial number, time stamp, and etc).
Running from the command line requires enclosing the string by single quotes (') or double quotes (").
sxgui.py will automatically adds single quotes to the string.
BDB files can not be selected as input micrographs.
Then, specify output directory where all outputs should be saved.
In this mode, all micrographs matching the path pattern will be processed.
mpirun -np 16 sxcter.py './mic*.hdf' outdir_cter --wn=512 --apix=2.29 --Cs=2.0 --voltage=300 --ac=10.0
Selected Micrographs Mode - Process all micrographs in a selection list file:
In addition to input micrographs path pattern and output directry arguments,
specify a name of micrograph selection list text file using --selection_list option
(e.g. output of sxgui_unblur.py or sxgui_cter.py). The file extension must be ".txt".
In this mode, only micrographs in the selection list which matches the file name part of the pattern (ignoring the directory paths) will be processed.
If a micrograph name in the selection list does not exists in the directory specified by the micrograph path pattern, processing of the micrograph will be skipped.
mpirun -np 16 sxcter.py './mic*.hdf' outdir_cter --selection_list=mic_list.txt --wn=512 --apix=2.29 --Cs=2.0 --voltage=300 --ac=10.0
Single Micrograph Mode - Process a single micrograph:
In addition to input micrographs path pattern and output directry arguments,
specify a single micrograph name using --selection_list option.
In this mode, only the specified single micrograph will be processed.
If this micrograph name does not matches the file name part of the pattern (ignoring the directory paths), the process will exit without processing it.
If this micrograph name matches the file name part of the pattern but does not exists in the directory which specified by the micrograph path pattern, again the process will exit without processing it.
Use single processor for this mode.
sxcter.py './mic*.hdf' outdir_cter --selection_list=mic0.hdf --wn=512 --apix=2.29 --Cs=2.0 --voltage=300 --ac=10.0
Stack Mode - Process a particle stack (Not supported by SPHIRE GUI))::
Use --stack_mode option, then specify the path of particle stack file (without wild card "*") and output directory as arguments.
This mode ignores --selection_list, --wn --overlap_x, --overlap_y, --edge_x, and --edge_y options.
Use single processor for this mode. Not supported by SPHIRE GUI (sxgui.py).
sxcter.py bdb:stack outdir_cter --apix=2.29 --Cs=2.0 --voltage=300 --ac=10.0 --stack_mode
"""
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--selection_list",
type="string",
default=None,
help=
"Micrograph selecting list: Specify path of a micrograph selection list text file for Selected Micrographs Mode. The file extension must be \'.txt\'. Alternatively, the file name of a single micrograph can be specified for Single Micrograph Mode. (default none)"
)
parser.add_option(
"--wn",
type="int",
default=512,
help=
"CTF window size [pixels]: The size should be slightly larger than particle box size. This will be ignored in Stack Mode. (default 512)"
)
parser.add_option(
"--apix",
type="float",
default=-1.0,
help=
"Pixel size [A/Pixels]: The pixel size of input micrograph(s) or images in input particle stack. (default -1.0)"
)
parser.add_option(
"--Cs",
type="float",
default=2.0,
help=
"Microscope spherical aberration (Cs) [mm]: The spherical aberration (Cs) of microscope used for imaging. (default 2.0)"
)
parser.add_option(
"--voltage",
type="float",
default=300.0,
help=
"Microscope voltage [kV]: The acceleration voltage of microscope used for imaging. (default 300.0)"
)
parser.add_option(
"--ac",
type="float",
default=10.0,
help=
"Amplitude contrast [%]: The typical amplitude contrast is in the range of 7% - 14%. The value mainly depends on the thickness of the ice embedding the particles. (default 10.0)"
)
parser.add_option(
"--f_start",
type="float",
default=-1.0,
help=
"Lowest resolution [A]: Lowest resolution to be considered in the CTF estimation. Determined automatically by default. (default -1.0)"
)
parser.add_option(
"--f_stop",
type="float",
default=-1.0,
help=
"Highest resolution [A]: Highest resolution to be considered in the CTF estimation. Determined automatically by default. (default -1.0)"
)
parser.add_option(
"--kboot",
type="int",
default=16,
help=
"Number of CTF estimates per micrograph: Used for error assessment. (default 16)"
)
parser.add_option(
"--overlap_x",
type="int",
default=50,
help=
"X overlap [%]: Overlap between the windows in the x direction. This will be ignored in Stack Mode. (default 50)"
)
parser.add_option(
"--overlap_y",
type="int",
default=50,
help=
"Y overlap [%]: Overlap between the windows in the y direction. This will be ignored in Stack Mode. (default 50)"
)
parser.add_option(
"--edge_x",
type="int",
default=0,
help=
"Edge x [pixels]: Defines the edge of the tiling area in the x direction. Normally it does not need to be modified. This will be ignored in Stack Mode. (default 0)"
)
parser.add_option(
"--edge_y",
type="int",
default=0,
help=
"Edge y [pixels]: Defines the edge of the tiling area in the y direction. Normally it does not need to be modified. This will be ignored in Stack Mode. (default 0)"
)
parser.add_option(
"--check_consistency",
action="store_true",
default=False,
help=
"Check consistency of inputs: Create a text file containing the list of inconsistent Micrograph ID entries (i.e. inconsist_mic_list_file.txt). (default False)"
)
parser.add_option(
"--stack_mode",
action="store_true",
default=False,
help=
"Use stack mode: Use a stack as the input. Please set the file path of a stack as the first argument and output directory for the second argument. This is advanced option. Not supported by sxgui. (default False)"
)
parser.add_option(
"--debug_mode",
action="store_true",
default=False,
help="Enable debug mode: Print out debug information. (default False)")
parser.add_option(
"--vpp",
action="store_true",
default=False,
help="Volta Phase Plate - fit smplitude contrast. (default False)")
parser.add_option("--defocus_min",
type="float",
default=0.3,
help="Minimum defocus search [um] (default 0.3)")
parser.add_option("--defocus_max",
type="float",
default=9.0,
help="Maximum defocus search [um] (default 9.0)")
parser.add_option("--defocus_step",
type="float",
default=0.1,
help="Step defocus search [um] (default 0.1)")
parser.add_option("--phase_min",
type="float",
default=5.0,
help="Minimum phase search [degrees] (default 5.0)")
parser.add_option("--phase_max",
type="float",
default=175.0,
help="Maximum phase search [degrees] (default 175.0)")
parser.add_option("--phase_step",
type="float",
default=5.0,
help="Step phase search [degrees] (default 5.0)")
parser.add_option("--pap",
action="store_true",
default=False,
help="Use power spectrum for fitting. (default False)")
(options, args) = parser.parse_args(sys.argv[1:])
# ====================================================================================
# Prepare processing
# ====================================================================================
# ------------------------------------------------------------------------------------
# Set up MPI related variables
# ------------------------------------------------------------------------------------
# Detect if program is running under MPI
RUNNING_UNDER_MPI = "OMPI_COMM_WORLD_SIZE" in os.environ
main_mpi_proc = 0
if RUNNING_UNDER_MPI:
from mpi import mpi_init, mpi_comm_rank, mpi_comm_size, mpi_barrier, MPI_COMM_WORLD
sys.argv = mpi_init(len(sys.argv), sys.argv)
my_mpi_proc_id = mpi_comm_rank(MPI_COMM_WORLD)
n_mpi_procs = mpi_comm_size(MPI_COMM_WORLD)
global_def.MPI = True
else:
my_mpi_proc_id = 0
n_mpi_procs = 1
# ------------------------------------------------------------------------------------
# Set up SPHIRE global definitions
# ------------------------------------------------------------------------------------
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
# Change the name log file for error message
original_logfilename = global_def.LOGFILE
global_def.LOGFILE = os.path.splitext(
program_name)[0] + '_' + original_logfilename + '.txt'
# ------------------------------------------------------------------------------------
# Check error conditions of arguments and options, then prepare variables for arguments
# ------------------------------------------------------------------------------------
input_image_path = None
output_directory = None
# not a real while, an if with the opportunity to use break when errors need to be reported
error_status = None
# change input unit
freq_start = -1.0
freq_stop = -1.0
if options.f_start > 0.0:
if options.f_start <= 0.5:
ERROR("f_start should be in Angstrom", "sxcter",
1) # exclude abs frequencies and spatial frequencies
else:
freq_start = 1. / options.f_start
if options.f_stop > 0.0:
if options.f_stop <= 0.5:
ERROR("f_stop should be in Angstrom", "sxcter",
1) # exclude abs frequencies and spatial frequencies
else:
freq_stop = 1. / options.f_stop
while True:
# --------------------------------------------------------------------------------
# Check the number of arguments. If OK, then prepare variables for them
# --------------------------------------------------------------------------------
if len(args) != 2:
error_status = (
"Please check usage for number of arguments.\n Usage: " +
usage + "\n" + "Please run %s -h for help." % (program_name),
getframeinfo(currentframe()))
break
# NOTE: 2015/11/27 Toshio Moriya
# Require single quotes (') or double quotes (") when input micrograph pattern is give for input_image_path
# so that sys.argv does not automatically expand wild card and create a list of file names
#
input_image_path = args[0]
output_directory = args[1]
# --------------------------------------------------------------------------------
# NOTE: 2016/03/17 Toshio Moriya
# cter_mrk() will take care of all the error conditions
# --------------------------------------------------------------------------------
break
if_error_then_all_processes_exit_program(error_status)
# Toshio, please see how to make it informative
assert input_image_path != None, " directory missing input_image_path"
assert output_directory != None, " directory missing output_directory"
if options.vpp == False:
wrong_params = False
import string as str
vpp_options = [
"--defocus_min", "--defocus_max", "--defocus_step", "--phase_min",
"--phase_max", "--phase_step"
]
for command_token in sys.argv:
for vppo in vpp_options:
if str.find(command_token, vppo) > -1: wrong_params = True
if wrong_params: break
if wrong_params: break
if wrong_params:
ERROR(
"Some options are valid only for Volta Phase Plate command %s"
% command_token, "sxcter", 1, my_mpi_proc_id)
if my_mpi_proc_id == main_mpi_proc:
command_line = ""
for command_token in sys.argv:
command_line += command_token + " "
print(" ")
print("Shell line command:")
print(command_line)
if options.vpp:
vpp_options = [
options.defocus_min, options.defocus_max, options.defocus_step,
options.phase_min, options.phase_max, options.phase_step
]
from morphology import cter_vpp
result = cter_vpp(input_image_path, output_directory,
options.selection_list, options.wn, options.apix,
options.Cs, options.voltage, options.ac, freq_start,
freq_stop, options.kboot, options.overlap_x,
options.overlap_y, options.edge_x, options.edge_y,
options.check_consistency, options.stack_mode,
options.debug_mode, program_name, vpp_options,
RUNNING_UNDER_MPI, main_mpi_proc, my_mpi_proc_id,
n_mpi_procs)
elif options.pap:
from morphology import cter_pap
result = cter_pap(input_image_path, output_directory,
options.selection_list, options.wn, options.apix,
options.Cs, options.voltage, options.ac, freq_start,
freq_stop, options.kboot, options.overlap_x,
options.overlap_y, options.edge_x, options.edge_y,
options.check_consistency, options.stack_mode,
options.debug_mode, program_name, RUNNING_UNDER_MPI,
main_mpi_proc, my_mpi_proc_id, n_mpi_procs)
else:
from morphology import cter_mrk
result = cter_mrk(input_image_path, output_directory,
options.selection_list, options.wn, options.apix,
options.Cs, options.voltage, options.ac, freq_start,
freq_stop, options.kboot, options.overlap_x,
options.overlap_y, options.edge_x, options.edge_y,
options.check_consistency, options.stack_mode,
options.debug_mode, program_name, RUNNING_UNDER_MPI,
main_mpi_proc, my_mpi_proc_id, n_mpi_procs)
if RUNNING_UNDER_MPI:
mpi_barrier(MPI_COMM_WORLD)
if main_mpi_proc == my_mpi_proc_id:
if options.debug_mode:
print("Returned value from cter_mrk() := ", result)
print(" ")
print("DONE!!!")
print(" ")
# ====================================================================================
# Clean up
# ====================================================================================
# ------------------------------------------------------------------------------------
# Reset SPHIRE global definitions
# ------------------------------------------------------------------------------------
global_def.LOGFILE = original_logfilename
# ------------------------------------------------------------------------------------
# Clean up MPI related variables
# ------------------------------------------------------------------------------------
if RUNNING_UNDER_MPI:
mpi_barrier(MPI_COMM_WORLD)
from mpi import mpi_finalize
mpi_finalize()
sys.stdout.flush()
sys.exit(0)
def main():
def params_3D_2D_NEW(phi, theta, psi, s2x, s2y, mirror):
# the final ali2d parameters already combine shifts operation first and rotation operation second for parameters converted from 3D
if mirror:
m = 1
alpha, sx, sy, scalen = compose_transform2(0, s2x, s2y, 1.0, 540.0-psi, 0, 0, 1.0)
else:
m = 0
alpha, sx, sy, scalen = compose_transform2(0, s2x, s2y, 1.0, 360.0-psi, 0, 0, 1.0)
return alpha, sx, sy, m
progname = os.path.basename(sys.argv[0])
usage = progname + " prj_stack --ave2D= --var2D= --ave3D= --var3D= --img_per_grp= --fl= --aa= --sym=symmetry --CTF"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--output_dir", type="string" , default="./", help="Output directory")
parser.add_option("--ave2D", type="string" , default=False, help="Write to the disk a stack of 2D averages")
parser.add_option("--var2D", type="string" , default=False, help="Write to the disk a stack of 2D variances")
parser.add_option("--ave3D", type="string" , default=False, help="Write to the disk reconstructed 3D average")
parser.add_option("--var3D", type="string" , default=False, help="Compute 3D variability (time consuming!)")
parser.add_option("--img_per_grp", type="int" , default=100, help="Number of neighbouring projections.(Default is 100)")
parser.add_option("--no_norm", action="store_true", default=False, help="Do not use normalization.(Default is to apply normalization)")
#parser.add_option("--radius", type="int" , default=-1 , help="radius for 3D variability" )
parser.add_option("--npad", type="int" , default=2 , help="Number of time to pad the original images.(Default is 2 times padding)")
parser.add_option("--sym" , type="string" , default="c1", help="Symmetry. (Default is no symmetry)")
parser.add_option("--fl", type="float" , default=0.0, help="Low pass filter cutoff in absolute frequency (0.0 - 0.5) and is applied to decimated images. (Default - no filtration)")
parser.add_option("--aa", type="float" , default=0.02 , help="Fall off of the filter. Use default value if user has no clue about falloff (Default value is 0.02)")
parser.add_option("--CTF", action="store_true", default=False, help="Use CFT correction.(Default is no CTF correction)")
#parser.add_option("--MPI" , action="store_true", default=False, help="use MPI version")
#parser.add_option("--radiuspca", type="int" , default=-1 , help="radius for PCA" )
#parser.add_option("--iter", type="int" , default=40 , help="maximum number of iterations (stop criterion of reconstruction process)" )
#parser.add_option("--abs", type="float" , default=0.0 , help="minimum average absolute change of voxels' values (stop criterion of reconstruction process)" )
#parser.add_option("--squ", type="float" , default=0.0 , help="minimum average squared change of voxels' values (stop criterion of reconstruction process)" )
parser.add_option("--VAR" , action="store_true", default=False, help="Stack of input consists of 2D variances (Default False)")
parser.add_option("--decimate", type ="float", default=0.25, help="Image decimate rate, a number less than 1. (Default is 0.25)")
parser.add_option("--window", type ="int", default=0, help="Target image size relative to original image size. (Default value is zero.)")
#parser.add_option("--SND", action="store_true", default=False, help="compute squared normalized differences (Default False)")
#parser.add_option("--nvec", type="int" , default=0 , help="Number of eigenvectors, (Default = 0 meaning no PCA calculated)")
parser.add_option("--symmetrize", action="store_true", default=False, help="Prepare input stack for handling symmetry (Default False)")
parser.add_option("--overhead", type ="float", default=0.5, help="python overhead per CPU.")
(options,args) = parser.parse_args()
#####
from mpi import mpi_init, mpi_comm_rank, mpi_comm_size, mpi_recv, MPI_COMM_WORLD
from mpi import mpi_barrier, mpi_reduce, mpi_bcast, mpi_send, MPI_FLOAT, MPI_SUM, MPI_INT, MPI_MAX
#from mpi import *
from applications import MPI_start_end
from reconstruction import recons3d_em, recons3d_em_MPI
from reconstruction import recons3d_4nn_MPI, recons3d_4nn_ctf_MPI
from utilities import print_begin_msg, print_end_msg, print_msg
from utilities import read_text_row, get_image, get_im, wrap_mpi_send, wrap_mpi_recv
from utilities import bcast_EMData_to_all, bcast_number_to_all
from utilities import get_symt
# This is code for handling symmetries by the above program. To be incorporated. PAP 01/27/2015
from EMAN2db import db_open_dict
# Set up global variables related to bdb cache
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
# Set up global variables related to ERROR function
global_def.BATCH = True
# detect if program is running under MPI
RUNNING_UNDER_MPI = "OMPI_COMM_WORLD_SIZE" in os.environ
if RUNNING_UNDER_MPI: global_def.MPI = True
if options.output_dir =="./": current_output_dir = os.path.abspath(options.output_dir)
else: current_output_dir = options.output_dir
if options.symmetrize :
if RUNNING_UNDER_MPI:
try:
sys.argv = mpi_init(len(sys.argv), sys.argv)
try:
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
if( number_of_proc > 1 ):
ERROR("Cannot use more than one CPU for symmetry preparation","sx3dvariability",1)
except:
pass
except:
pass
if not os.path.exists(current_output_dir): os.mkdir(current_output_dir)
# Input
#instack = "Clean_NORM_CTF_start_wparams.hdf"
#instack = "bdb:data"
from logger import Logger,BaseLogger_Files
if os.path.exists(os.path.join(current_output_dir, "log.txt")): os.remove(os.path.join(current_output_dir, "log.txt"))
log_main=Logger(BaseLogger_Files())
log_main.prefix = os.path.join(current_output_dir, "./")
instack = args[0]
sym = options.sym.lower()
if( sym == "c1" ):
ERROR("There is no need to symmetrize stack for C1 symmetry","sx3dvariability",1)
line =""
for a in sys.argv:
line +=" "+a
log_main.add(line)
if(instack[:4] !="bdb:"):
#if output_dir =="./": stack = "bdb:data"
stack = "bdb:"+current_output_dir+"/data"
delete_bdb(stack)
junk = cmdexecute("sxcpy.py "+instack+" "+stack)
else: stack = instack
qt = EMUtil.get_all_attributes(stack,'xform.projection')
na = len(qt)
ts = get_symt(sym)
ks = len(ts)
angsa = [None]*na
for k in range(ks):
#Qfile = "Q%1d"%k
#if options.output_dir!="./": Qfile = os.path.join(options.output_dir,"Q%1d"%k)
Qfile = os.path.join(current_output_dir, "Q%1d"%k)
#delete_bdb("bdb:Q%1d"%k)
delete_bdb("bdb:"+Qfile)
#junk = cmdexecute("e2bdb.py "+stack+" --makevstack=bdb:Q%1d"%k)
junk = cmdexecute("e2bdb.py "+stack+" --makevstack=bdb:"+Qfile)
#DB = db_open_dict("bdb:Q%1d"%k)
DB = db_open_dict("bdb:"+Qfile)
for i in range(na):
ut = qt[i]*ts[k]
DB.set_attr(i, "xform.projection", ut)
#bt = ut.get_params("spider")
#angsa[i] = [round(bt["phi"],3)%360.0, round(bt["theta"],3)%360.0, bt["psi"], -bt["tx"], -bt["ty"]]
#write_text_row(angsa, 'ptsma%1d.txt'%k)
#junk = cmdexecute("e2bdb.py "+stack+" --makevstack=bdb:Q%1d"%k)
#junk = cmdexecute("sxheader.py bdb:Q%1d --params=xform.projection --import=ptsma%1d.txt"%(k,k))
DB.close()
#if options.output_dir =="./": delete_bdb("bdb:sdata")
delete_bdb("bdb:" + current_output_dir + "/"+"sdata")
#junk = cmdexecute("e2bdb.py . --makevstack=bdb:sdata --filt=Q")
sdata = "bdb:"+current_output_dir+"/"+"sdata"
print(sdata)
junk = cmdexecute("e2bdb.py " + current_output_dir +" --makevstack="+sdata +" --filt=Q")
#junk = cmdexecute("ls EMAN2DB/sdata*")
#a = get_im("bdb:sdata")
a = get_im(sdata)
a.set_attr("variabilitysymmetry",sym)
#a.write_image("bdb:sdata")
a.write_image(sdata)
else:
from fundamentals import window2d
sys.argv = mpi_init(len(sys.argv), sys.argv)
myid = mpi_comm_rank(MPI_COMM_WORLD)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
main_node = 0
shared_comm = mpi_comm_split_type(MPI_COMM_WORLD, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL)
myid_on_node = mpi_comm_rank(shared_comm)
no_of_processes_per_group = mpi_comm_size(shared_comm)
masters_from_groups_vs_everything_else_comm = mpi_comm_split(MPI_COMM_WORLD, main_node == myid_on_node, myid_on_node)
color, no_of_groups, balanced_processor_load_on_nodes = get_colors_and_subsets(main_node, MPI_COMM_WORLD, myid, \
shared_comm, myid_on_node, masters_from_groups_vs_everything_else_comm)
overhead_loading = options.overhead*number_of_proc
#memory_per_node = options.memory_per_node
#if memory_per_node == -1.: memory_per_node = 2.*no_of_processes_per_group
keepgoing = 1
current_window = options.window
current_decimate = options.decimate
if len(args) == 1: stack = args[0]
else:
print(( "usage: " + usage))
print(( "Please run '" + progname + " -h' for detailed options"))
return 1
t0 = time()
# obsolete flags
options.MPI = True
#options.nvec = 0
options.radiuspca = -1
options.iter = 40
options.abs = 0.0
options.squ = 0.0
if options.fl > 0.0 and options.aa == 0.0:
ERROR("Fall off has to be given for the low-pass filter", "sx3dvariability", 1, myid)
#if options.VAR and options.SND:
# ERROR("Only one of var and SND can be set!", "sx3dvariability", myid)
if options.VAR and (options.ave2D or options.ave3D or options.var2D):
ERROR("When VAR is set, the program cannot output ave2D, ave3D or var2D", "sx3dvariability", 1, myid)
#if options.SND and (options.ave2D or options.ave3D):
# ERROR("When SND is set, the program cannot output ave2D or ave3D", "sx3dvariability", 1, myid)
#if options.nvec > 0 :
# ERROR("PCA option not implemented", "sx3dvariability", 1, myid)
#if options.nvec > 0 and options.ave3D == None:
# ERROR("When doing PCA analysis, one must set ave3D", "sx3dvariability", 1, myid)
if current_decimate>1.0 or current_decimate<0.0:
ERROR("Decimate rate should be a value between 0.0 and 1.0", "sx3dvariability", 1, myid)
if current_window < 0.0:
ERROR("Target window size should be always larger than zero", "sx3dvariability", 1, myid)
if myid == main_node:
img = get_image(stack, 0)
nx = img.get_xsize()
ny = img.get_ysize()
if(min(nx, ny) < current_window): keepgoing = 0
keepgoing = bcast_number_to_all(keepgoing, main_node, MPI_COMM_WORLD)
if keepgoing == 0: ERROR("The target window size cannot be larger than the size of decimated image", "sx3dvariability", 1, myid)
import string
options.sym = options.sym.lower()
# if global_def.CACHE_DISABLE:
# from utilities import disable_bdb_cache
# disable_bdb_cache()
# global_def.BATCH = True
if myid == main_node:
if not os.path.exists(current_output_dir): os.mkdir(current_output_dir)# Never delete output_dir in the program!
img_per_grp = options.img_per_grp
#nvec = options.nvec
radiuspca = options.radiuspca
from logger import Logger,BaseLogger_Files
#if os.path.exists(os.path.join(options.output_dir, "log.txt")): os.remove(os.path.join(options.output_dir, "log.txt"))
log_main=Logger(BaseLogger_Files())
log_main.prefix = os.path.join(current_output_dir, "./")
if myid == main_node:
line = ""
for a in sys.argv: line +=" "+a
log_main.add(line)
log_main.add("-------->>>Settings given by all options<<<-------")
log_main.add("Symmetry : %s"%options.sym)
log_main.add("Input stack : %s"%stack)
log_main.add("Output_dir : %s"%current_output_dir)
if options.ave3D: log_main.add("Ave3d : %s"%options.ave3D)
if options.var3D: log_main.add("Var3d : %s"%options.var3D)
if options.ave2D: log_main.add("Ave2D : %s"%options.ave2D)
if options.var2D: log_main.add("Var2D : %s"%options.var2D)
if options.VAR: log_main.add("VAR : True")
else: log_main.add("VAR : False")
if options.CTF: log_main.add("CTF correction : True ")
else: log_main.add("CTF correction : False ")
log_main.add("Image per group : %5d"%options.img_per_grp)
log_main.add("Image decimate rate : %4.3f"%current_decimate)
log_main.add("Low pass filter : %4.3f"%options.fl)
current_fl = options.fl
if current_fl == 0.0: current_fl = 0.5
log_main.add("Current low pass filter is equivalent to cutoff frequency %4.3f for original image size"%round((current_fl*current_decimate),3))
log_main.add("Window size : %5d "%current_window)
log_main.add("sx3dvariability begins")
symbaselen = 0
if myid == main_node:
nima = EMUtil.get_image_count(stack)
img = get_image(stack)
nx = img.get_xsize()
ny = img.get_ysize()
nnxo = nx
nnyo = ny
if options.sym != "c1" :
imgdata = get_im(stack)
try:
i = imgdata.get_attr("variabilitysymmetry").lower()
if(i != options.sym):
ERROR("The symmetry provided does not agree with the symmetry of the input stack", "sx3dvariability", 1, myid)
except:
ERROR("Input stack is not prepared for symmetry, please follow instructions", "sx3dvariability", 1, myid)
from utilities import get_symt
i = len(get_symt(options.sym))
if((nima/i)*i != nima):
ERROR("The length of the input stack is incorrect for symmetry processing", "sx3dvariability", 1, myid)
symbaselen = nima/i
else: symbaselen = nima
else:
nima = 0
nx = 0
ny = 0
nnxo = 0
nnyo = 0
nima = bcast_number_to_all(nima)
nx = bcast_number_to_all(nx)
ny = bcast_number_to_all(ny)
nnxo = bcast_number_to_all(nnxo)
nnyo = bcast_number_to_all(nnyo)
if current_window > max(nx, ny):
ERROR("Window size is larger than the original image size", "sx3dvariability", 1)
if current_decimate == 1.:
if current_window !=0:
nx = current_window
ny = current_window
else:
if current_window == 0:
nx = int(nx*current_decimate+0.5)
ny = int(ny*current_decimate+0.5)
else:
nx = int(current_window*current_decimate+0.5)
ny = nx
symbaselen = bcast_number_to_all(symbaselen)
# check FFT prime number
from fundamentals import smallprime
is_fft_friendly = (nx == smallprime(nx))
if not is_fft_friendly:
if myid == main_node:
log_main.add("The target image size is not a product of small prime numbers")
log_main.add("Program adjusts the input settings!")
### two cases
if current_decimate == 1.:
nx = smallprime(nx)
ny = nx
current_window = nx # update
if myid == main_node:
log_main.add("The window size is updated to %d."%current_window)
else:
if current_window == 0:
nx = smallprime(int(nx*current_decimate+0.5))
current_decimate = float(nx)/nnxo
ny = nx
if (myid == main_node):
log_main.add("The decimate rate is updated to %f."%current_decimate)
else:
nx = smallprime(int(current_window*current_decimate+0.5))
ny = nx
current_window = int(nx/current_decimate+0.5)
if (myid == main_node):
log_main.add("The window size is updated to %d."%current_window)
if myid == main_node:
log_main.add("The target image size is %d"%nx)
if radiuspca == -1: radiuspca = nx/2-2
if myid == main_node: log_main.add("%-70s: %d\n"%("Number of projection", nima))
img_begin, img_end = MPI_start_end(nima, number_of_proc, myid)
"""
if options.SND:
from projection import prep_vol, prgs
from statistics import im_diff
from utilities import get_im, model_circle, get_params_proj, set_params_proj
from utilities import get_ctf, generate_ctf
from filter import filt_ctf
imgdata = EMData.read_images(stack, range(img_begin, img_end))
if options.CTF:
vol = recons3d_4nn_ctf_MPI(myid, imgdata, 1.0, symmetry=options.sym, npad=options.npad, xysize=-1, zsize=-1)
else:
vol = recons3d_4nn_MPI(myid, imgdata, symmetry=options.sym, npad=options.npad, xysize=-1, zsize=-1)
bcast_EMData_to_all(vol, myid)
volft, kb = prep_vol(vol)
mask = model_circle(nx/2-2, nx, ny)
varList = []
for i in xrange(img_begin, img_end):
phi, theta, psi, s2x, s2y = get_params_proj(imgdata[i-img_begin])
ref_prj = prgs(volft, kb, [phi, theta, psi, -s2x, -s2y])
if options.CTF:
ctf_params = get_ctf(imgdata[i-img_begin])
ref_prj = filt_ctf(ref_prj, generate_ctf(ctf_params))
diff, A, B = im_diff(ref_prj, imgdata[i-img_begin], mask)
diff2 = diff*diff
set_params_proj(diff2, [phi, theta, psi, s2x, s2y])
varList.append(diff2)
mpi_barrier(MPI_COMM_WORLD)
"""
if options.VAR: # 2D variance images have no shifts
#varList = EMData.read_images(stack, range(img_begin, img_end))
from EMAN2 import Region
for index_of_particle in range(img_begin,img_end):
image = get_im(stack, index_of_proj)
if current_window > 0: varList.append(fdecimate(window2d(image,current_window,current_window), nx,ny))
else: varList.append(fdecimate(image, nx,ny))
else:
from utilities import bcast_number_to_all, bcast_list_to_all, send_EMData, recv_EMData
from utilities import set_params_proj, get_params_proj, params_3D_2D, get_params2D, set_params2D, compose_transform2
from utilities import model_blank, nearest_proj, model_circle, write_text_row, wrap_mpi_gatherv
from applications import pca
from statistics import avgvar, avgvar_ctf, ccc
from filter import filt_tanl
from morphology import threshold, square_root
from projection import project, prep_vol, prgs
from sets import Set
from utilities import wrap_mpi_recv, wrap_mpi_bcast, wrap_mpi_send
import numpy as np
if myid == main_node:
t1 = time()
proj_angles = []
aveList = []
tab = EMUtil.get_all_attributes(stack, 'xform.projection')
for i in range(nima):
t = tab[i].get_params('spider')
phi = t['phi']
theta = t['theta']
psi = t['psi']
x = theta
if x > 90.0: x = 180.0 - x
x = x*10000+psi
proj_angles.append([x, t['phi'], t['theta'], t['psi'], i])
t2 = time()
log_main.add( "%-70s: %d\n"%("Number of neighboring projections", img_per_grp))
log_main.add("...... Finding neighboring projections\n")
log_main.add( "Number of images per group: %d"%img_per_grp)
log_main.add( "Now grouping projections")
proj_angles.sort()
proj_angles_list = np.full((nima, 4), 0.0, dtype=np.float32)
for i in range(nima):
proj_angles_list[i][0] = proj_angles[i][1]
proj_angles_list[i][1] = proj_angles[i][2]
proj_angles_list[i][2] = proj_angles[i][3]
proj_angles_list[i][3] = proj_angles[i][4]
else: proj_angles_list = 0
proj_angles_list = wrap_mpi_bcast(proj_angles_list, main_node, MPI_COMM_WORLD)
proj_angles = []
for i in range(nima):
proj_angles.append([proj_angles_list[i][0], proj_angles_list[i][1], proj_angles_list[i][2], int(proj_angles_list[i][3])])
del proj_angles_list
proj_list, mirror_list = nearest_proj(proj_angles, img_per_grp, range(img_begin, img_end))
all_proj = Set()
for im in proj_list:
for jm in im:
all_proj.add(proj_angles[jm][3])
all_proj = list(all_proj)
index = {}
for i in range(len(all_proj)): index[all_proj[i]] = i
mpi_barrier(MPI_COMM_WORLD)
if myid == main_node:
log_main.add("%-70s: %.2f\n"%("Finding neighboring projections lasted [s]", time()-t2))
log_main.add("%-70s: %d\n"%("Number of groups processed on the main node", len(proj_list)))
log_main.add("Grouping projections took: %12.1f [m]"%((time()-t2)/60.))
log_main.add("Number of groups on main node: ", len(proj_list))
mpi_barrier(MPI_COMM_WORLD)
if myid == main_node:
log_main.add("...... Calculating the stack of 2D variances \n")
# Memory estimation. There are two memory consumption peaks
# peak 1. Compute ave, var;
# peak 2. Var volume reconstruction;
# proj_params = [0.0]*(nima*5)
aveList = []
varList = []
#if nvec > 0: eigList = [[] for i in range(nvec)]
dnumber = len(all_proj)# all neighborhood set for assigned to myid
pnumber = len(proj_list)*2. + img_per_grp # aveList and varList
tnumber = dnumber+pnumber
vol_size2 = nx**3*4.*8/1.e9
vol_size1 = 2.*nnxo**3*4.*8/1.e9
proj_size = nnxo*nnyo*len(proj_list)*4.*2./1.e9 # both aveList and varList
orig_data_size = nnxo*nnyo*4.*tnumber/1.e9
reduced_data_size = nx*nx*4.*tnumber/1.e9
full_data = np.full((number_of_proc, 2), -1., dtype=np.float16)
full_data[myid] = orig_data_size, reduced_data_size
if myid != main_node: wrap_mpi_send(full_data, main_node, MPI_COMM_WORLD)
if myid == main_node:
for iproc in range(number_of_proc):
if iproc != main_node:
dummy = wrap_mpi_recv(iproc, MPI_COMM_WORLD)
full_data[np.where(dummy>-1)] = dummy[np.where(dummy>-1)]
del dummy
mpi_barrier(MPI_COMM_WORLD)
full_data = wrap_mpi_bcast(full_data, main_node, MPI_COMM_WORLD)
# find the CPU with heaviest load
minindx = np.argsort(full_data, 0)
heavy_load_myid = minindx[-1][1]
total_mem = sum(full_data)
if myid == main_node:
if current_window == 0:
log_main.add("Nx: current image size = %d. Decimated by %f from %d"%(nx, current_decimate, nnxo))
else:
log_main.add("Nx: current image size = %d. Windowed to %d, and decimated by %f from %d"%(nx, current_window, current_decimate, nnxo))
log_main.add("Nproj: number of particle images.")
log_main.add("Navg: number of 2D average images.")
log_main.add("Nvar: number of 2D variance images.")
log_main.add("Img_per_grp: user defined image per group for averaging = %d"%img_per_grp)
log_main.add("Overhead: total python overhead memory consumption = %f"%overhead_loading)
log_main.add("Total memory) = 4.0*nx^2*(nproj + navg +nvar+ img_per_grp)/1.0e9 + overhead: %12.3f [GB]"%\
(total_mem[1] + overhead_loading))
del full_data
mpi_barrier(MPI_COMM_WORLD)
if myid == heavy_load_myid:
log_main.add("Begin reading and preprocessing images on processor. Wait... ")
ttt = time()
#imgdata = EMData.read_images(stack, all_proj)
imgdata = [ None for im in range(len(all_proj))]
for index_of_proj in range(len(all_proj)):
#image = get_im(stack, all_proj[index_of_proj])
if( current_window > 0): imgdata[index_of_proj] = fdecimate(window2d(get_im(stack, all_proj[index_of_proj]),current_window,current_window), nx, ny)
else: imgdata[index_of_proj] = fdecimate(get_im(stack, all_proj[index_of_proj]), nx, ny)
if (current_decimate> 0.0 and options.CTF):
ctf = imgdata[index_of_proj].get_attr("ctf")
ctf.apix = ctf.apix/current_decimate
imgdata[index_of_proj].set_attr("ctf", ctf)
if myid == heavy_load_myid and index_of_proj%100 == 0:
log_main.add(" ...... %6.2f%% "%(index_of_proj/float(len(all_proj))*100.))
mpi_barrier(MPI_COMM_WORLD)
if myid == heavy_load_myid:
log_main.add("All_proj preprocessing cost %7.2f m"%((time()-ttt)/60.))
log_main.add("Wait untill reading on all CPUs done...")
'''
imgdata2 = EMData.read_images(stack, range(img_begin, img_end))
if options.fl > 0.0:
for k in xrange(len(imgdata2)):
imgdata2[k] = filt_tanl(imgdata2[k], options.fl, options.aa)
if options.CTF:
vol = recons3d_4nn_ctf_MPI(myid, imgdata2, 1.0, symmetry=options.sym, npad=options.npad, xysize=-1, zsize=-1)
else:
vol = recons3d_4nn_MPI(myid, imgdata2, symmetry=options.sym, npad=options.npad, xysize=-1, zsize=-1)
if myid == main_node:
vol.write_image("vol_ctf.hdf")
print_msg("Writing to the disk volume reconstructed from averages as : %s\n"%("vol_ctf.hdf"))
del vol, imgdata2
mpi_barrier(MPI_COMM_WORLD)
'''
from applications import prepare_2d_forPCA
from utilities import model_blank
from EMAN2 import Transform
if not options.no_norm:
mask = model_circle(nx/2-2, nx, nx)
if options.CTF:
from utilities import pad
from filter import filt_ctf
from filter import filt_tanl
if myid == heavy_load_myid:
log_main.add("Start computing 2D aveList and varList. Wait...")
ttt = time()
inner=nx//2-4
outer=inner+2
xform_proj_for_2D = [ None for i in range(len(proj_list))]
for i in range(len(proj_list)):
ki = proj_angles[proj_list[i][0]][3]
if ki >= symbaselen: continue
mi = index[ki]
dpar = Util.get_transform_params(imgdata[mi], "xform.projection", "spider")
phiM, thetaM, psiM, s2xM, s2yM = dpar["phi"],dpar["theta"],dpar["psi"],-dpar["tx"]*current_decimate,-dpar["ty"]*current_decimate
grp_imgdata = []
for j in range(img_per_grp):
mj = index[proj_angles[proj_list[i][j]][3]]
cpar = Util.get_transform_params(imgdata[mj], "xform.projection", "spider")
alpha, sx, sy, mirror = params_3D_2D_NEW(cpar["phi"], cpar["theta"],cpar["psi"], -cpar["tx"]*current_decimate, -cpar["ty"]*current_decimate, mirror_list[i][j])
if thetaM <= 90:
if mirror == 0: alpha, sx, sy, scale = compose_transform2(alpha, sx, sy, 1.0, phiM - cpar["phi"], 0.0, 0.0, 1.0)
else: alpha, sx, sy, scale = compose_transform2(alpha, sx, sy, 1.0, 180-(phiM - cpar["phi"]), 0.0, 0.0, 1.0)
else:
if mirror == 0: alpha, sx, sy, scale = compose_transform2(alpha, sx, sy, 1.0, -(phiM- cpar["phi"]), 0.0, 0.0, 1.0)
else: alpha, sx, sy, scale = compose_transform2(alpha, sx, sy, 1.0, -(180-(phiM - cpar["phi"])), 0.0, 0.0, 1.0)
imgdata[mj].set_attr("xform.align2d", Transform({"type":"2D","alpha":alpha,"tx":sx,"ty":sy,"mirror":mirror,"scale":1.0}))
grp_imgdata.append(imgdata[mj])
if not options.no_norm:
for k in range(img_per_grp):
ave, std, minn, maxx = Util.infomask(grp_imgdata[k], mask, False)
grp_imgdata[k] -= ave
grp_imgdata[k] /= std
if options.fl > 0.0:
for k in range(img_per_grp):
grp_imgdata[k] = filt_tanl(grp_imgdata[k], options.fl, options.aa)
# Because of background issues, only linear option works.
if options.CTF: ave, var = aves_wiener(grp_imgdata, SNR = 1.0e5, interpolation_method = "linear")
else: ave, var = ave_var(grp_imgdata)
# Switch to std dev
# threshold is not really needed,it is just in case due to numerical accuracy something turns out negative.
var = square_root(threshold(var))
set_params_proj(ave, [phiM, thetaM, 0.0, 0.0, 0.0])
set_params_proj(var, [phiM, thetaM, 0.0, 0.0, 0.0])
aveList.append(ave)
varList.append(var)
xform_proj_for_2D[i] = [phiM, thetaM, 0.0, 0.0, 0.0]
'''
if nvec > 0:
eig = pca(input_stacks=grp_imgdata, subavg="", mask_radius=radiuspca, nvec=nvec, incore=True, shuffle=False, genbuf=True)
for k in range(nvec):
set_params_proj(eig[k], [phiM, thetaM, 0.0, 0.0, 0.0])
eigList[k].append(eig[k])
"""
if myid == 0 and i == 0:
for k in xrange(nvec):
eig[k].write_image("eig.hdf", k)
"""
'''
if (myid == heavy_load_myid) and (i%100 == 0):
log_main.add(" ......%6.2f%% "%(i/float(len(proj_list))*100.))
del imgdata, grp_imgdata, cpar, dpar, all_proj, proj_angles, index
if not options.no_norm: del mask
if myid == main_node: del tab
# At this point, all averages and variances are computed
mpi_barrier(MPI_COMM_WORLD)
if (myid == heavy_load_myid):
log_main.add("Computing aveList and varList took %12.1f [m]"%((time()-ttt)/60.))
xform_proj_for_2D = wrap_mpi_gatherv(xform_proj_for_2D, main_node, MPI_COMM_WORLD)
if (myid == main_node):
write_text_row(xform_proj_for_2D, os.path.join(current_output_dir, "params.txt"))
del xform_proj_for_2D
mpi_barrier(MPI_COMM_WORLD)
if options.ave2D:
from fundamentals import fpol
from applications import header
if myid == main_node:
log_main.add("Compute ave2D ... ")
km = 0
for i in range(number_of_proc):
if i == main_node :
for im in range(len(aveList)):
aveList[im].write_image(os.path.join(current_output_dir, options.ave2D), km)
km += 1
else:
nl = mpi_recv(1, MPI_INT, i, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
nl = int(nl[0])
for im in range(nl):
ave = recv_EMData(i, im+i+70000)
"""
nm = mpi_recv(1, MPI_INT, i, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
nm = int(nm[0])
members = mpi_recv(nm, MPI_INT, i, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
ave.set_attr('members', map(int, members))
members = mpi_recv(nm, MPI_FLOAT, i, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
ave.set_attr('pix_err', map(float, members))
members = mpi_recv(3, MPI_FLOAT, i, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
ave.set_attr('refprojdir', map(float, members))
"""
tmpvol=fpol(ave, nx, nx,1)
tmpvol.write_image(os.path.join(current_output_dir, options.ave2D), km)
km += 1
else:
mpi_send(len(aveList), 1, MPI_INT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
for im in range(len(aveList)):
send_EMData(aveList[im], main_node,im+myid+70000)
"""
members = aveList[im].get_attr('members')
mpi_send(len(members), 1, MPI_INT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
mpi_send(members, len(members), MPI_INT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
members = aveList[im].get_attr('pix_err')
mpi_send(members, len(members), MPI_FLOAT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
try:
members = aveList[im].get_attr('refprojdir')
mpi_send(members, 3, MPI_FLOAT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
except:
mpi_send([-999.0,-999.0,-999.0], 3, MPI_FLOAT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
"""
if myid == main_node:
header(os.path.join(current_output_dir, options.ave2D), params='xform.projection', fimport = os.path.join(current_output_dir, "params.txt"))
mpi_barrier(MPI_COMM_WORLD)
if options.ave3D:
from fundamentals import fpol
t5 = time()
if myid == main_node: log_main.add("Reconstruct ave3D ... ")
ave3D = recons3d_4nn_MPI(myid, aveList, symmetry=options.sym, npad=options.npad)
bcast_EMData_to_all(ave3D, myid)
if myid == main_node:
if current_decimate != 1.0: ave3D = resample(ave3D, 1./current_decimate)
ave3D = fpol(ave3D, nnxo, nnxo, nnxo) # always to the orignal image size
set_pixel_size(ave3D, 1.0)
ave3D.write_image(os.path.join(current_output_dir, options.ave3D))
log_main.add("Ave3D reconstruction took %12.1f [m]"%((time()-t5)/60.0))
log_main.add("%-70s: %s\n"%("The reconstructed ave3D is saved as ", options.ave3D))
mpi_barrier(MPI_COMM_WORLD)
del ave, var, proj_list, stack, alpha, sx, sy, mirror, aveList
'''
if nvec > 0:
for k in range(nvec):
if myid == main_node:log_main.add("Reconstruction eigenvolumes", k)
cont = True
ITER = 0
mask2d = model_circle(radiuspca, nx, nx)
while cont:
#print "On node %d, iteration %d"%(myid, ITER)
eig3D = recons3d_4nn_MPI(myid, eigList[k], symmetry=options.sym, npad=options.npad)
bcast_EMData_to_all(eig3D, myid, main_node)
if options.fl > 0.0:
eig3D = filt_tanl(eig3D, options.fl, options.aa)
if myid == main_node:
eig3D.write_image(os.path.join(options.outpout_dir, "eig3d_%03d.hdf"%(k, ITER)))
Util.mul_img( eig3D, model_circle(radiuspca, nx, nx, nx) )
eig3Df, kb = prep_vol(eig3D)
del eig3D
cont = False
icont = 0
for l in range(len(eigList[k])):
phi, theta, psi, s2x, s2y = get_params_proj(eigList[k][l])
proj = prgs(eig3Df, kb, [phi, theta, psi, s2x, s2y])
cl = ccc(proj, eigList[k][l], mask2d)
if cl < 0.0:
icont += 1
cont = True
eigList[k][l] *= -1.0
u = int(cont)
u = mpi_reduce([u], 1, MPI_INT, MPI_MAX, main_node, MPI_COMM_WORLD)
icont = mpi_reduce([icont], 1, MPI_INT, MPI_SUM, main_node, MPI_COMM_WORLD)
if myid == main_node:
u = int(u[0])
log_main.add(" Eigenvector: ",k," number changed ",int(icont[0]))
else: u = 0
u = bcast_number_to_all(u, main_node)
cont = bool(u)
ITER += 1
del eig3Df, kb
mpi_barrier(MPI_COMM_WORLD)
del eigList, mask2d
'''
if options.ave3D: del ave3D
if options.var2D:
from fundamentals import fpol
from applications import header
if myid == main_node:
log_main.add("Compute var2D...")
km = 0
for i in range(number_of_proc):
if i == main_node :
for im in range(len(varList)):
tmpvol=fpol(varList[im], nx, nx,1)
tmpvol.write_image(os.path.join(current_output_dir, options.var2D), km)
km += 1
else:
nl = mpi_recv(1, MPI_INT, i, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
nl = int(nl[0])
for im in range(nl):
ave = recv_EMData(i, im+i+70000)
tmpvol=fpol(ave, nx, nx,1)
tmpvol.write_image(os.path.join(current_output_dir, options.var2D), km)
km += 1
else:
mpi_send(len(varList), 1, MPI_INT, main_node, SPARX_MPI_TAG_UNIVERSAL, MPI_COMM_WORLD)
for im in range(len(varList)):
send_EMData(varList[im], main_node, im+myid+70000)# What with the attributes??
mpi_barrier(MPI_COMM_WORLD)
if myid == main_node:
from applications import header
header(os.path.join(current_output_dir, options.var2D), params = 'xform.projection',fimport = os.path.join(current_output_dir, "params.txt"))
mpi_barrier(MPI_COMM_WORLD)
if options.var3D:
if myid == main_node: log_main.add("Reconstruct var3D ...")
t6 = time()
# radiusvar = options.radius
# if( radiusvar < 0 ): radiusvar = nx//2 -3
res = recons3d_4nn_MPI(myid, varList, symmetry = options.sym, npad=options.npad)
#res = recons3d_em_MPI(varList, vol_stack, options.iter, radiusvar, options.abs, True, options.sym, options.squ)
if myid == main_node:
from fundamentals import fpol
if current_decimate != 1.0: res = resample(res, 1./current_decimate)
res = fpol(res, nnxo, nnxo, nnxo)
set_pixel_size(res, 1.0)
res.write_image(os.path.join(current_output_dir, options.var3D))
log_main.add("%-70s: %s\n"%("The reconstructed var3D is saved as ", options.var3D))
log_main.add("Var3D reconstruction took %f12.1 [m]"%((time()-t6)/60.0))
log_main.add("Total computation time %f12.1 [m]"%((time()-t0)/60.0))
log_main.add("sx3dvariability finishes")
from mpi import mpi_finalize
mpi_finalize()
if RUNNING_UNDER_MPI: global_def.MPI = False
global_def.BATCH = False
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack <maskfile> --search_rng=10 --maxit=max_iteration --CTF --snr=SNR --Fourvar=Fourier_variance --oneDx --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--search_rng",
type="int",
default=-1,
help="Search range for x-shift")
parser.add_option("--search_ang",
type="int",
default=-1,
help="Search range for inplane rotation angle")
parser.add_option(
"--search_rng_y",
type="int",
default=-1,
help=
"Search range for x-shift. Not used for 1D search (oneDx flag set).")
parser.add_option("--maxit",
type="int",
default=100,
help="Maximum number of iterations program will perform")
parser.add_option("--CTF",
action="store_true",
default=False,
help="Use CTF correction")
parser.add_option(
"--snr",
type="float",
default=1.0,
help="signal-to-noise ratio of the data (default is 1.0)")
parser.add_option("--Fourvar",
action="store_true",
default=False,
help="compute Fourier variance")
parser.add_option("--oneDx",
action="store_true",
default=False,
help="1D search along x-axis")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI")
parser.add_option("--curvature",
action="store_true",
default=False,
help="for curved filament alignment")
(options, args) = parser.parse_args()
if not (options.MPI):
print("Only MPI version is currently implemented.")
print("Please run '" + progname + " -h' for detailed options")
return
if len(args) < 1 or len(args) > 2:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if len(args) == 1: mask = None
else: mask = args[1]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
global_def.BATCH = True
if options.oneDx:
helicalshiftali_MPI(args[0], mask, options.maxit, options.CTF,
options.snr, options.Fourvar,
options.search_rng)
else:
shiftali_MPI(args[0], mask, options.maxit, options.CTF,
options.snr, options.Fourvar, options.search_rng,
options.oneDx, options.search_rng_y)
global_def.BATCH = False
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = (
progname
+ " stack outdir <maskfile> --K=10 --trials=2 --debug --maxit=100 --rand_seed=10 --crit='all' --F=0.9 --T0=2.0 --init_method='rnd' --normalize --CTF --MPI --CUDA"
)
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--K", type="int", default=2, help="Number of classes (default 2)")
parser.add_option("--trials", type="int", default=1, help="Number of trials of K-means (default 1)")
parser.add_option("--maxit", type="int", default=100, help="Maximum number of iterations within K-means")
parser.add_option("--CTF", action="store_true", default=False, help="Perform classification using CTF information")
parser.add_option("--rand_seed", type="int", default=-1, help="Random seed of initial (default random)")
parser.add_option(
"--crit", type="string", default="D", help="Criterions: Coleman [C], Harabasz[H], Davies-Bouldin[D], All [all]"
)
# parser.add_option("--F", type="float", default=0.0, help="Cooling in simulated annealing, ex.: 0.9")
# parser.add_option("--T0", type="float", default=0.0, help="Initial temperature in simulated annealing, ex: 100")
parser.add_option("--MPI", action="store_true", default=False, help="Use MPI version")
parser.add_option("--debug", action="store_true", default=False, help="")
parser.add_option("--normalize", action="store_true", default=False, help="Normalize images under the mask")
parser.add_option(
"--init_method",
type="string",
default="rnd",
help='Method used to initialize partition: "rnd" randomize or "d2w" for d2 weighting initialization (default is rnd)',
)
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
elif options.trials < 1:
sys.stderr.write("ERROR: Number of trials should be at least 1.\n\n")
sys.exit()
else:
if len(args) == 2:
mask = None
else:
mask = args[2]
if options.K < 2:
sys.stderr.write("ERROR: K must be > 1 group\n\n")
sys.exit()
if options.CTF:
sys.stderr.write("ERROR: CTF option not implemented\n\n")
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import k_means_main
global_def.BATCH = True
k_means_main(
args[0],
args[1],
mask,
"SSE",
options.K,
options.rand_seed,
options.maxit,
options.trials,
options.crit,
options.CTF,
0.0,
0.0,
options.MPI,
False,
options.debug,
options.normalize,
options.init_method,
)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
sp_global_def.print_timestamp("Start")
sp_global_def.write_command()
run()
sp_global_def.print_timestamp("Finish")
mpi.mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + """ firstvolume secondvolume maskfile outputfile --wn --step --cutoff --radius --fsc --res_overall --out_ang_res --apix --MPI
Compute local resolution in real space within area outlined by the maskfile and within regions wn x wn x wn
"""
parser = optparse.OptionParser(usage,version=global_def.SPARXVERSION)
parser.add_option("--wn", type="int", default=7, help="Size of window within which local real-space FSC is computed. (default 7)")
parser.add_option("--step", type="float", default= 1.0, help="Shell step in Fourier size in pixels. (default 1.0)")
parser.add_option("--cutoff", type="float", default= 0.5, help="Resolution cut-off for FSC. (default 0.5)")
parser.add_option("--radius", type="int", default=-1, help="If there is no maskfile, sphere with r=radius will be used. By default, the radius is nx/2-wn (default -1)")
parser.add_option("--fsc", type="string", default= None, help="Save overall FSC curve (might be truncated). By default, the program does not save the FSC curve. (default none)")
parser.add_option("--res_overall", type="float", default= -1.0, help="Overall resolution at the cutoff level estimated by the user [abs units]. (default None)")
parser.add_option("--out_ang_res", action="store_true", default=False, help="Additionally creates a local resolution file in Angstroms. (default False)")
parser.add_option("--apix", type="float", default= 1.0, help="Pixel size in Angstrom. Effective only with --out_ang_res options. (default 1.0)")
parser.add_option("--MPI", action="store_true", default=False, help="Use MPI version.")
(options, args) = parser.parse_args(arglist[1:])
if len(args) <3 or len(args) > 4:
print("See usage " + usage)
sys.exit()
if global_def.CACHE_DISABLE:
utilities.disable_bdb_cache()
res_overall = options.res_overall
if options.MPI:
sys.argv = mpi.mpi_init(len(sys.argv),sys.argv)
number_of_proc = mpi.mpi_comm_size(mpi.MPI_COMM_WORLD)
myid = mpi.mpi_comm_rank(mpi.MPI_COMM_WORLD)
main_node = 0
global_def.MPI = True
cutoff = options.cutoff
nk = int(options.wn)
if(myid == main_node):
#print sys.argv
vi = utilities.get_im(sys.argv[1])
ui = utilities.get_im(sys.argv[2])
nx = vi.get_xsize()
ny = vi.get_ysize()
nz = vi.get_zsize()
dis = [nx, ny, nz]
else:
dis = [0,0,0,0]
global_def.BATCH = True
dis = utilities.bcast_list_to_all(dis, myid, source_node = main_node)
if(myid != main_node):
nx = int(dis[0])
ny = int(dis[1])
nz = int(dis[2])
vi = utilities.model_blank(nx,ny,nz)
ui = utilities.model_blank(nx,ny,nz)
if len(args) == 3:
m = utilities.model_circle((min(nx,ny,nz)-nk)//2,nx,ny,nz)
outvol = args[2]
elif len(args) == 4:
if(myid == main_node):
m = morphology.binarize(utilities.get_im(args[2]), 0.5)
else:
m = utilities.model_blank(nx, ny, nz)
outvol = args[3]
utilities.bcast_EMData_to_all(m, myid, main_node)
"""Multiline Comment0"""
freqvol, resolut = statistics.locres(vi, ui, m, nk, cutoff, options.step, myid, main_node, number_of_proc)
if(myid == 0):
# Remove outliers based on the Interquartile range
output_volume(freqvol, resolut, options.apix, outvol, options.fsc, options.out_ang_res, nx, ny, nz, res_overall)
mpi.mpi_finalize()
else:
cutoff = options.cutoff
vi = utilities.get_im(args[0])
ui = utilities.get_im(args[1])
nn = vi.get_xsize()
nk = int(options.wn)
if len(args) == 3:
m = utilities.model_circle((nn-nk)//2,nn,nn,nn)
outvol = args[2]
elif len(args) == 4:
m = morphology.binarize(utilities.get_im(args[2]), 0.5)
outvol = args[3]
mc = utilities.model_blank(nn,nn,nn,1.0)-m
vf = fundamentals.fft(vi)
uf = fundamentals.fft(ui)
"""Multiline Comment1"""
lp = int(old_div(old_div(nn,2),options.step)+0.5)
step = 0.5/lp
freqvol = utilities.model_blank(nn,nn,nn)
resolut = []
for i in range(1,lp):
fl = step*i
fh = fl+step
#print(lp,i,step,fl,fh)
v = fundamentals.fft(filter.filt_tophatb( vf, fl, fh))
u = fundamentals.fft(filter.filt_tophatb( uf, fl, fh))
tmp1 = EMAN2_cppwrap.Util.muln_img(v,v)
tmp2 = EMAN2_cppwrap.Util.muln_img(u,u)
do = EMAN2_cppwrap.Util.infomask(morphology.square_root(morphology.threshold(EMAN2_cppwrap.Util.muln_img(tmp1,tmp2))),m,True)[0]
tmp3 = EMAN2_cppwrap.Util.muln_img(u,v)
dp = EMAN2_cppwrap.Util.infomask(tmp3,m,True)[0]
resolut.append([i,(fl+fh)/2.0, old_div(dp,do)])
tmp1 = EMAN2_cppwrap.Util.box_convolution(tmp1, nk)
tmp2 = EMAN2_cppwrap.Util.box_convolution(tmp2, nk)
tmp3 = EMAN2_cppwrap.Util.box_convolution(tmp3, nk)
EMAN2_cppwrap.Util.mul_img(tmp1,tmp2)
tmp1 = morphology.square_root(morphology.threshold(tmp1))
EMAN2_cppwrap.Util.mul_img(tmp1,m)
EMAN2_cppwrap.Util.add_img(tmp1,mc)
EMAN2_cppwrap.Util.mul_img(tmp3,m)
EMAN2_cppwrap.Util.add_img(tmp3,mc)
EMAN2_cppwrap.Util.div_img(tmp3,tmp1)
EMAN2_cppwrap.Util.mul_img(tmp3,m)
freq=(fl+fh)/2.0
bailout = True
for x in range(nn):
for y in range(nn):
for z in range(nn):
if(m.get_value_at(x,y,z) > 0.5):
if(freqvol.get_value_at(x,y,z) == 0.0):
if(tmp3.get_value_at(x,y,z) < cutoff):
freqvol.set_value_at(x,y,z, freq)
bailout = False
else:
bailout = False
if(bailout): break
#print(len(resolut))
# remove outliers
output_volume(freqvol, resolut, options.apix, outvol, options.fsc, options.out_ang_res, nx, ny, nz, res_overall)
def main():
import os
import sys
from optparse import OptionParser
from global_def import SPARXVERSION
import global_def
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir <maskfile> parameters listed below"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--delta", type="string", default= " 10 6 4 3 2", help="angular step of reference projections")
parser.add_option("--maxit", type="int", default= 30, help="maximum number of iterations performed for each angular step (set to 30) ")
parser.add_option("--CTF", action="store_true", default=False, help="CTF correction")
parser.add_option("--snr", type="float", default= 1.0, help="Signal-to-Noise Ratio of the data")
#parser.add_option("--MPI", action="store_true", default=False, help="use MPI version")
#parser.add_option("--fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--apix", type="float", default= -1.0, help="pixel size [Angstroms]")
parser.add_option("--dp", type="float", default= -1.0, help="rise of helical symmetry [Angstroms]")
parser.add_option("--dphi", type="float", default= -1.0, help="azimuthal angle of helical symmetry [degrees]")
parser.add_option("--symdoc", type="string", default="", help="text file containing helical symmetry parameters dp and dphi")
parser.add_option("--psi_max", type="float", default= 10.0, help="maximum psi - how far rotation in plane can can deviate from 90 or 270 degrees")
parser.add_option("--rmin", type="float", default= 0.0, help="minimal radius for hsearch (Angstroms)")
parser.add_option("--rmax", type="float", default= 80.0, help="maximal radius for hsearch (Angstroms)")
parser.add_option("--fract", type="float", default= 0.7, help="fraction of the volume used for helical search. Default 0.7.")
parser.add_option("--sym", type="string", default= "c1", help="Point-group symmetry of the structure. Default c1.")
parser.add_option("--function", type="string", default="helical", help="name of the reference preparation function (Default: helical)")
parser.add_option("--npad", type="int", default= 2, help="padding size for 3D reconstruction (Default: 2)")
parser.add_option("--debug", action="store_true", default=False, help="debug")
parser.add_option("--seg_ny", type="int", default= 45, help="Desired y dimension of segments. Only central part of segments nseg_ny pixels long will be used in calculations.")
parser.add_option("--searchxshift", type="float", default= 0.0, help="search range for x-shift determination: +/- searchxshift (Angstroms)")
parser.add_option("--xwobble", type="float", default=0.0, help="wobble in x-directions (default = 0.0) (Angstroms)")
parser.add_option("--ywobble", type="float", default=0.0, help="wobble in y-directions (default = 0.0) (Angstroms)")
parser.add_option("--ystep", type="float", default=0.0, help="step is in y-directions (default = pixel size) (Angstroms)")
parser.add_option("--phiwobble", type="float", default=0.0, help="wobble of azimuthal angle (default = 0.0) (degrees)")
parser.add_option("--nopsisearch", action="store_true", default=False, help="Block searching for in-plane angle (default False)")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print "usage: " + usage + "\n"
print "Please run '" + progname + " -h' for detailed options"
else:
# Convert input arguments in the units/format as expected by ihrsr_MPI in applications.
if options.apix < 0:
print "Please enter pixel size"
sys.exit()
if len(options.symdoc) < 1:
if options.dp < 0 or options.dphi < 0:
print "Enter helical symmetry parameters either using --symdoc or --dp and --dphi"
sys.exit()
if options.dp < 0 or options.dphi < 0:
# read helical symmetry parameters from symdoc
from utilities import read_text_row
hparams=read_text_row(options.symdoc)
dp = hparams[0][0]
dphi = hparams[0][1]
else:
dp = options.dp
dphi = options.dphi
rminp = int((float(options.rmin)/options.apix) + 0.5)
rmaxp = int((float(options.rmax)/options.apix) + 0.5)
from utilities import get_input_from_string, get_im
searchxshiftp = int( (options.searchxshift/options.apix) + 0.5)
xwobblep = int( (options.xwobble/options.apix) + 0.5)
ywobble = options.ywobble/options.apix
if( options.ystep <= 0.0 ): ystep = 1.0
else: ystep = options.ystep/options.apix
if( dp/2.0 < ywobble):
ERROR('ywobble has to be smaller than dp/2.', 'sxhelicon')
sys.exit()
try:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
except:
ERROR('This program has only MPI version. Please install MPI library.', 'sxhelicon')
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if len(args) < 4: mask = None
else: mask = args[3]
from applications import ehelix_MPI
global_def.BATCH = True
ehelix_MPI(args[0], args[1], args[2], options.seg_ny, options.delta, options.phiwobble, options.psi_max,\
searchxshiftp, xwobblep, ywobble, ystep, options.apix, dp, dphi, options.fract, rmaxp, rminp, not options.nopsisearch,\
mask, options.maxit, options.CTF, options.snr, options.sym, options.function, options.npad, options.debug)
global_def.BATCH = False
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = (
progname
+ " prj_stack volume fsc_curve <mask> --CTF --snr=signal_noise_ratio --list=file --group=ID --sym=symmetry -verbose=(0|1) --MPI"
)
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--CTF", action="store_true", default=False, help="perform ctf correction")
parser.add_option("--snr", type="float", default=1.0, help="Signal-to-Noise Ratio in the data")
parser.add_option("--sym", type="string", default="c1", help="symmetry")
parser.add_option("--list", type="string", help="file with list of images to be used in the first column")
parser.add_option(
"--group",
type="int",
default=-1,
help="perform reconstruction using images for a given group number (group is attribute in the header)",
)
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version ")
parser.add_option("--npad", type="int", default=2, help="number of times padding (default 2)")
parser.add_option("--verbose", type="int", default=0, help="verbose level: 0 no, 1 yes")
(options, args) = parser.parse_args(arglist[1:])
if len(args) != 3 and len(args) != 4:
print usage
sys.exit(-1)
prj_stack = args[0]
vol_stack = args[1]
fsc_curve = args[2]
if len(args) == 3:
mask = None
else:
mask = get_image(args[3])
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.list and options.group > -1:
ERROR("options group and list cannot be used together", "recon3d_n", 1)
sys.exit()
from applications import recons3d_f
global_def.BATCH = True
recons3d_f(
prj_stack,
vol_stack,
fsc_curve,
mask,
options.CTF,
options.snr,
options.sym,
options.list,
options.group,
options.npad,
options.verbose,
options.MPI,
)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main(args):
from utilities import if_error_then_all_processes_exit_program, write_text_row, drop_image, model_gauss_noise, get_im, set_params_proj, wrap_mpi_bcast, model_circle
from logger import Logger, BaseLogger_Files
from mpi import mpi_init, mpi_finalize, MPI_COMM_WORLD, mpi_comm_rank, mpi_comm_size, mpi_barrier
import user_functions
import sys
import os
from applications import MPI_start_end
from optparse import OptionParser, SUPPRESS_HELP
from global_def import SPARXVERSION
from EMAN2 import EMData
from multi_shc import multi_shc
progname = os.path.basename(sys.argv[0])
usage = progname + " stack [output_directory] --ir=inner_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translational_search_step --delta=angular_step --center=center_type --maxit1=max_iter1 --maxit2=max_iter2 --L2threshold=0.1 --ref_a=S --sym=c1"
usage += """
stack 2D images in a stack file: (default required string)
directory output directory name: into which the results will be written (if it does not exist, it will be created, if it does exist, the results will be written possibly overwriting previous results) (default required string)
"""
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--radius", type="int", help="radius of the particle: has to be less than < int(nx/2)-1 (default required int)")
parser.add_option("--xr", type="string", default='0', help="range for translation search in x direction: search is +/xr in pixels (default '0')")
parser.add_option("--yr", type="string", default='0', help="range for translation search in y direction: if omitted will be set to xr, search is +/yr in pixels (default '0')")
parser.add_option("--mask3D", type="string", default=None, help="3D mask file: (default sphere)")
parser.add_option("--moon_elimination", type="string", default='', help="elimination of disconnected pieces: two arguments: mass in KDa and pixel size in px/A separated by comma, no space (default none)")
parser.add_option("--ir", type="int", default=1, help="inner radius for rotational search: > 0 (default 1)")
# 'radius' and 'ou' are the same as per Pawel's request; 'ou' is hidden from the user
# the 'ou' variable is not changed to 'radius' in the 'sparx' program. This change is at interface level only for sxviper.
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--ou", type="int", default=-1, help=SUPPRESS_HELP)
parser.add_option("--rs", type="int", default=1, help="step between rings in rotational search: >0 (default 1)")
parser.add_option("--ts", type="string", default='1.0', help="step size of the translation search in x-y directions: search is -xr, -xr+ts, 0, xr-ts, xr, can be fractional (default '1.0')")
parser.add_option("--delta", type="string", default='2.0', help="angular step of reference projections: (default '2.0')")
parser.add_option("--center", type="float", default=-1.0, help="centering of 3D template: average shift method; 0: no centering; 1: center of gravity (default -1.0)")
parser.add_option("--maxit1", type="int", default=400, help="maximum number of iterations performed for the GA part: (default 400)")
parser.add_option("--maxit2", type="int", default=50, help="maximum number of iterations performed for the finishing up part: (default 50)")
parser.add_option("--L2threshold", type="float", default=0.03, help="stopping criterion of GA: given as a maximum relative dispersion of volumes' L2 norms: (default 0.03)")
parser.add_option("--ref_a", type="string", default='S', help="method for generating the quasi-uniformly distributed projection directions: (default S)")
parser.add_option("--sym", type="string", default='c1', help="point-group symmetry of the structure: (default c1)")
# parser.add_option("--function", type="string", default="ref_ali3d", help="name of the reference preparation function (ref_ali3d by default)")
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--function", type="string", default="ref_ali3d", help= SUPPRESS_HELP)
parser.add_option("--nruns", type="int", default=6, help="GA population: aka number of quasi-independent volumes (default 6)")
parser.add_option("--doga", type="float", default=0.1, help="do GA when fraction of orientation changes less than 1.0 degrees is at least doga: (default 0.1)")
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--npad", type="int", default= 2, help="padding size for 3D reconstruction (default=2)")
parser.add_option("--fl", type="float", default=0.25, help="cut-off frequency applied to the template volume: using a hyperbolic tangent low-pass filter (default 0.25)")
parser.add_option("--aa", type="float", default=0.1, help="fall-off of hyperbolic tangent low-pass filter: (default 0.1)")
parser.add_option("--pwreference", type="string", default='', help="text file with a reference power spectrum: (default none)")
parser.add_option("--debug", action="store_true", default=False, help="debug info printout: (default False)")
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--return_options", action="store_true", dest="return_options", default=False, help = SUPPRESS_HELP)
#parser.add_option("--an", type="string", default= "-1", help="NOT USED angular neighborhood for local searches (phi and theta)")
#parser.add_option("--CTF", action="store_true", default=False, help="NOT USED Consider CTF correction during the alignment ")
#parser.add_option("--snr", type="float", default= 1.0, help="NOT USED Signal-to-Noise Ratio of the data (default 1.0)")
# (options, args) = parser.parse_args(sys.argv[1:])
required_option_list = ['radius']
(options, args) = parser.parse_args(args)
# option_dict = vars(options)
# print parser
if options.return_options:
return parser
if options.moon_elimination == "":
options.moon_elimination = []
else:
options.moon_elimination = map(float, options.moon_elimination.split(","))
# Making sure all required options appeared.
for required_option in required_option_list:
if not options.__dict__[required_option]:
print "\n ==%s== mandatory option is missing.\n"%required_option
print "Please run '" + progname + " -h' for detailed options"
return 1
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
return 1
mpi_init(0, [])
log = Logger(BaseLogger_Files())
# 'radius' and 'ou' are the same as per Pawel's request; 'ou' is hidden from the user
# the 'ou' variable is not changed to 'radius' in the 'sparx' program. This change is at interface level only for sxviper.
options.ou = options.radius
runs_count = options.nruns
mpi_rank = mpi_comm_rank(MPI_COMM_WORLD)
mpi_size = mpi_comm_size(MPI_COMM_WORLD) # Total number of processes, passed by --np option.
if mpi_rank == 0:
all_projs = EMData.read_images(args[0])
subset = range(len(all_projs))
# if mpi_size > len(all_projs):
# ERROR('Number of processes supplied by --np needs to be less than or equal to %d (total number of images) ' % len(all_projs), 'sxviper', 1)
# mpi_finalize()
# return
else:
all_projs = None
subset = None
outdir = args[1]
if mpi_rank == 0:
if mpi_size % options.nruns != 0:
ERROR('Number of processes needs to be a multiple of total number of runs. Total runs by default are 3, you can change it by specifying --nruns option.', 'sxviper', 1)
mpi_finalize()
return
if os.path.exists(outdir):
ERROR('Output directory exists, please change the name and restart the program', "sxviper", 1)
mpi_finalize()
return
os.mkdir(outdir)
import global_def
global_def.LOGFILE = os.path.join(outdir, global_def.LOGFILE)
mpi_barrier(MPI_COMM_WORLD)
if outdir[-1] != "/":
outdir += "/"
log.prefix = outdir
# if len(args) > 2:
# ref_vol = get_im(args[2])
# else:
ref_vol = None
options.user_func = user_functions.factory[options.function]
options.CTF = False
options.snr = 1.0
options.an = -1.0
from multi_shc import multi_shc
out_params, out_vol, out_peaks = multi_shc(all_projs, subset, runs_count, options, mpi_comm=MPI_COMM_WORLD, log=log, ref_vol=ref_vol)
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translational_search_step --delta=angular_step --an=angular_neighborhood --deltapsi=Delta_psi --startpsi=Start_psi --maxit=max_iter --stoprnct=percentage_to_stop --CTF --snr=SNR --ref_a=S --sym=c1 --function=user_function --Fourvar=Fourier_variance --debug --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--ir",
type="int",
default=1,
help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option(
"--ou",
type="int",
default=-1,
help=
"outer radius for rotational correlation < int(nx/2)-1 (set to the radius of the particle)"
)
parser.add_option(
"--rs",
type="int",
default=1,
help="step between rings in rotational correlation >0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default="4 2 1 1 1",
help="range for translation search in x direction, search is +/xr")
parser.add_option(
"--yr",
type="string",
default="-1",
help=
"range for translation search in y direction, search is +/yr (default = same as xr)"
)
parser.add_option(
"--ts",
type="string",
default="1 1 1 0.5 0.25",
help=
"step size of the translation search in both directions, search is -xr, -xr+ts, 0, xr-ts, xr, can be fractional"
)
parser.add_option(
"--delta",
type="string",
default="10 6 4 3 2",
help=
"angular step of reference projections, (default is a sequence: 10 6 4 3 2"
)
parser.add_option(
"--an",
type="string",
default="-1",
help="angular neighborhood for local searches (phi and theta)")
parser.add_option("--apsi",
type="string",
default="-1",
help="angular neighborhood for local searches (psi)")
parser.add_option("--deltapsi",
type="string",
default="-1",
help="Delta psi for coarse search")
parser.add_option("--startpsi",
type="string",
default="-1",
help="Start psi for coarse search")
#parser.add_option("--center", type="float", default= -1, help="-1: average shift method; 0: no centering; 1: center of gravity (default=-1)")
parser.add_option(
"--maxit",
type="float",
default=5,
help=
"maximum number of iterations performed for each angular step (set to 5) "
)
parser.add_option(
"--stoprnct",
type="float",
default=0.0,
help=
"Minimum percentage of particles that change orientation to stop the program"
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="Consider CTF correction during the alignment ")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio of the data")
parser.add_option(
"--ref_a",
type="string",
default="S",
help=
"method for generating the quasi-uniformly distributed projection directions (default S)"
)
parser.add_option("--sym",
type="string",
default="c1",
help="symmetry of the refined structure")
parser.add_option(
"--function",
type="string",
default="ref_ali3d",
help="name of the reference preparation function (ref_ali3d)")
parser.add_option("--MPI",
action="store_true",
default=False,
help="whether to use MPI version")
parser.add_option("--Fourvar",
action="store_true",
default=False,
help="compute Fourier variance")
parser.add_option("--npad",
type="int",
default=2,
help="padding size for 3D reconstruction (default=2)")
parser.add_option("--debug",
action="store_true",
default=False,
help="debug")
parser.add_option("--shc",
action="store_true",
default=False,
help="use SHC algorithm")
parser.add_option("--nsoft",
type="int",
default=1,
help="number of SHC soft assignments (default=1)")
parser.add_option("--nh2",
action="store_true",
default=False,
help="new - SHC2")
parser.add_option("--ns",
action="store_true",
default=False,
help="new - saturn")
parser.add_option("--ns2",
action="store_true",
default=False,
help="new - saturn2")
parser.add_option("--chunk",
type="float",
default=0.2,
help="percentage of data used for alignment")
parser.add_option("--rantest",
action="store_true",
default=False,
help="rantest")
parser.add_option("--searchpsi",
action="store_true",
default=False,
help="psi refinement")
parser.add_option("--gamma", type="float", default=-1.0, help="gamma")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if len(args) == 3:
mask = None
else:
mask = args[3]
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
# centering permanently disabled due to the way new polar searches are done
center = 0
if (options.ns):
global_def.BATCH = True
from development import ali3d_saturn
ali3d_saturn(args[0],
args[1],
args[2],
mask,
options.ir,
options.ou,
options.rs,
options.xr,
options.yr,
options.ts,
options.delta,
options.an,
options.apsi,
options.deltapsi,
options.startpsi,
center,
options.maxit,
options.CTF,
options.snr,
options.ref_a,
options.sym,
options.function,
options.Fourvar,
options.npad,
options.debug,
options.MPI,
options.stoprnct,
gamma=options.gamma)
global_def.BATCH = False
elif (options.ns2):
global_def.BATCH = True
from development import ali3d_saturn2
ali3d_saturn2(args[0], args[1], args[2], mask, options.ir,
options.ou, options.rs, options.xr, options.yr,
options.ts, options.delta, options.an, options.apsi,
options.deltapsi, options.startpsi, center,
options.maxit, options.CTF, options.snr,
options.ref_a, options.sym, options.function,
options.Fourvar, options.npad, options.debug,
options.MPI, options.stoprnct)
global_def.BATCH = False
elif (options.shc):
if not options.MPI:
print("Only MPI version is implemented!!!")
else:
global_def.BATCH = True
if (options.nsoft == 1):
from applications import ali3d_shcMPI
ali3d_shcMPI(args[0],
args[1],
args[2],
mask,
options.ir,
options.ou,
options.rs,
options.xr,
options.yr,
options.ts,
options.delta,
options.an,
options.apsi,
options.deltapsi,
options.startpsi,
center,
options.maxit,
options.CTF,
options.snr,
options.ref_a,
options.sym,
options.function,
options.Fourvar,
options.npad,
options.debug,
options.stoprnct,
gamma=options.gamma)
elif (options.nsoft == 0):
from applications import ali3d_shc0MPI
ali3d_shc0MPI(args[0],
args[1],
args[2],
mask,
options.ir,
options.ou,
options.rs,
options.xr,
options.yr,
options.ts,
options.delta,
options.an,
options.apsi,
options.deltapsi,
options.startpsi,
center,
options.maxit,
options.CTF,
options.snr,
options.ref_a,
options.sym,
options.function,
options.Fourvar,
options.npad,
options.debug,
options.stoprnct,
gamma=options.gamma)
else:
from multi_shc import ali3d_multishc_soft
import user_functions
options.user_func = user_functions.factory[
options.function]
ali3d_multishc_soft(args[0],
args[1],
options,
mpi_comm=None,
log=None,
nsoft=options.nsoft)
global_def.BATCH = False
elif (options.nh2):
global_def.BATCH = True
from development import ali3d_shc2
ali3d_shc2(args[0], args[1], args[2], mask, options.ir, options.ou,
options.rs, options.xr, options.yr, options.ts,
options.delta, options.an, options.apsi,
options.deltapsi, options.startpsi, center,
options.maxit, options.CTF, options.snr, options.ref_a,
options.sym, options.function, options.Fourvar,
options.npad, options.debug, options.MPI,
options.stoprnct)
global_def.BATCH = False
elif options.searchpsi:
from applications import ali3dpsi_MPI
global_def.BATCH = True
ali3dpsi_MPI(args[0], args[1], args[2], mask, options.ir,
options.ou, options.rs, options.xr, options.yr,
options.ts, options.delta, options.an, options.apsi,
options.deltapsi, options.startpsi, center,
options.maxit, options.CTF, options.snr,
options.ref_a, options.sym, options.function,
options.Fourvar, options.npad, options.debug,
options.stoprnct)
global_def.BATCH = False
else:
if options.rantest:
from development import ali3d_rantest
global_def.BATCH = True
ali3d_rantest(args[0], args[1], args[2], mask, options.ir,
options.ou, options.rs, options.xr, options.yr,
options.ts, options.delta, options.an,
options.deltapsi, options.startpsi, center,
options.maxit, options.CTF, options.snr,
options.ref_a, options.sym, options.function,
options.Fourvar, options.npad, options.debug,
options.stoprnct)
global_def.BATCH = False
else:
from applications import ali3d
global_def.BATCH = True
ali3d(args[0], args[1], args[2], mask, options.ir, options.ou,
options.rs, options.xr, options.yr, options.ts,
options.delta, options.an, options.apsi,
options.deltapsi, options.startpsi, center,
options.maxit, options.CTF, options.snr, options.ref_a,
options.sym, options.function, options.Fourvar,
options.npad, options.debug, options.MPI,
options.stoprnct)
global_def.BATCH = False
if options.MPI: mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translation_step --dst=delta --center=center --maxit=max_iteration --CTF --snr=SNR --Fourvar=Fourier_variance --Ng=group_number --Function=user_function_name --CUDA --GPUID --MPI"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--ir", type="float", default=1, help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option("--ou", type="float", default=-1, help="outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)")
parser.add_option("--rs", type="float", default=1, help="step between rings in rotational correlation > 0 (set to 1)" )
parser.add_option("--xr", type="string", default="4 2 1 1", help="range for translation search in x direction, search is +/xr ")
parser.add_option("--yr", type="string", default="-1", help="range for translation search in y direction, search is +/yr ")
parser.add_option("--ts", type="string", default="2 1 0.5 0.25",help="step of translation search in both directions")
parser.add_option("--nomirror", action="store_true", default=False, help="Disable checking mirror orientations of images (default False)")
parser.add_option("--dst", type="float", default=0.0, help="delta")
parser.add_option("--center", type="float", default=-1, help="-1.average center method; 0.not centered; 1.phase approximation; 2.cc with Gaussian function; 3.cc with donut-shaped image 4.cc with user-defined reference 5.cc with self-rotated average")
parser.add_option("--maxit", type="float", default=0, help="maximum number of iterations (0 means the maximum iterations is 10, but it will automatically stop should the criterion falls")
parser.add_option("--CTF", action="store_true", default=False, help="use CTF correction during alignment")
parser.add_option("--snr", type="float", default=1.0, help="signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--Fourvar", action="store_true", default=False, help="compute Fourier variance")
#parser.add_option("--Ng", type="int", default=-1, help="number of groups in the new CTF filteration")
parser.add_option("--function", type="string", default="ref_ali2d", help="name of the reference preparation function (default ref_ali2d)")
#parser.add_option("--CUDA", action="store_true", default=False, help="use CUDA program")
#parser.add_option("--GPUID", type="string", default="", help="ID of GPUs available")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version ")
parser.add_option("--rotational", action="store_true", default=False, help="rotational alignment with optional limited in-plane angle, the parameters are: ir, ou, rs, psi_max, mode(F or H), maxit, orient, randomize")
parser.add_option("--psi_max", type="float", default=180.0, help="psi_max")
parser.add_option("--mode", type="string", default="F", help="Full or Half rings, default F")
parser.add_option("--randomize",action="store_true", default=False, help="randomize initial rotations (suboption of friedel, default False)")
parser.add_option("--orient", action="store_true", default=False, help="orient images such that the average is symmetric about x-axis, for layer lines (suboption of friedel, default False)")
parser.add_option("--template", type="string", default=None, help="2D alignment will be initialized using the template provided (only non-MPI version, default None)")
parser.add_option("--random_method", type="string", default="", help="use SHC or SCF (default standard method)")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
elif(options.rotational):
from applications import ali2d_rotationaltop
global_def.BATCH = True
ali2d_rotationaltop(args[1], args[0], options.randomize, options.orient, options.ir, options.ou, options.rs, options.psi_max, options.mode, options.maxit)
else:
if args[1] == 'None': outdir = None
else: outdir = args[1]
if len(args) == 2: mask = None
else: mask = args[2]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
global_def.BATCH = True
if options.MPI:
from applications import ali2d_base
from mpi import mpi_init, mpi_comm_size, mpi_comm_rank, MPI_COMM_WORLD
sys.argv = mpi_init(len(sys.argv),sys.argv)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
main_node = 0
if(myid == main_node):
import subprocess
from logger import Logger, BaseLogger_Files
# Create output directory
log = Logger(BaseLogger_Files())
log.prefix = os.path.join(outdir)
cmd = "mkdir "+log.prefix
outcome = subprocess.call(cmd, shell=True)
log.prefix += "/"
else:
outcome = 0
log = None
from utilities import bcast_number_to_all
outcome = bcast_number_to_all(outcome, source_node = main_node)
if(outcome == 1):
ERROR('Output directory exists, please change the name and restart the program', "ali2d_MPI", 1, myid)
dummy = ali2d_base(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, \
options.ts, options.nomirror, options.dst, \
options.center, options.maxit, options.CTF, options.snr, options.Fourvar, \
options.function, random_method = options.random_method, log = log, \
number_of_proc = number_of_proc, myid = myid, main_node = main_node, mpi_comm = MPI_COMM_WORLD,\
write_headers = True)
else:
print " Non-MPI is no more in use, try MPI option, please."
"""
from applications import ali2d
ali2d(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, \
options.ts, options.nomirror, options.dst, \
options.center, options.maxit, options.CTF, options.snr, options.Fourvar, \
-1, options.function, False, "", options.MPI, \
options.template, random_method = options.random_method)
"""
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(sys.argv[0])
usage = progname + " data_stack reference_stack outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translation_step --center=center_type --maxit=max_iteration --CTF --snr=SNR --function=user_function_name --rand_seed=random_seed --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--ir",
type="float",
default=1,
help=" inner radius for rotational correlation > 0 (set to 1)")
parser.add_option(
"--ou",
type="float",
default=-1,
help=
" outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)"
)
parser.add_option(
"--rs",
type="float",
default=1,
help=" step between rings in rotational correlation > 0 (set to 1)")
parser.add_option(
"--xr",
type="float",
default=0,
help=" range for translation search in x direction, search is +/-xr ")
parser.add_option(
"--yr",
type="float",
default=0,
help=" range for translation search in y direction, search is +/-yr ")
parser.add_option("--ts",
type="float",
default=1,
help=" step of translation search in both directions")
parser.add_option(
"--center",
type="float",
default=1,
help=
" 0 - if you do not want the average to be centered, 1 - center the average (default=1)"
)
parser.add_option("--maxit",
type="float",
default=10,
help=" maximum number of iterations (set to 10) ")
parser.add_option(
"--CTF",
action="store_true",
default=False,
help=" Consider CTF correction during multiple reference alignment")
parser.add_option("--snr",
type="float",
default=1.0,
help=" signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--function",
type="string",
default="ref_ali2d",
help=" name of the reference preparation function")
parser.add_option("--rand_seed",
type="int",
default=1000,
help=" random seed of initial (set to 1000)")
parser.add_option("--MPI",
action="store_true",
default=False,
help=" whether to use MPI version ")
parser.add_option("--EQ",
action="store_true",
default=False,
help=" equal version ")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if len(args) == 3:
mask = None
else:
mask = args[3]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
global_def.BATCH = True
if options.EQ:
from development import mrefeq_ali2df
#print " calling MPI",options.MPI,options.function,options.rand_seed
#print args
mrefeq_ali2df(args[0], args[1], mask, options.ir, options.ou,
options.rs, options.xr, options.yr, options.ts,
options.center, options.maxit, options.CTF,
options.snr, options.function, options.rand_seed,
options.MPI)
else:
from applications import mref_ali2d
mref_ali2d(args[0], args[1], args[2], mask, options.ir, options.ou,
options.rs, options.xr, options.yr, options.ts,
options.center, options.maxit, options.CTF, options.snr,
options.function, options.rand_seed, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
from logger import Logger, BaseLogger_Files
arglist = []
i = 0
while( i < len(sys.argv) ):
if sys.argv[i]=='-p4pg':
i = i+2
elif sys.argv[i]=='-p4wd':
i = i+2
else:
arglist.append( sys.argv[i] )
i = i+1
progname = os.path.basename(arglist[0])
usage = progname + " stack outdir <mask> --focus=3Dmask --radius=outer_radius --delta=angular_step" +\
"--an=angular_neighborhood --maxit=max_iter --CTF --sym=c1 --function=user_function --independent=indenpendent_runs --number_of_images_per_group=number_of_images_per_group --low_pass_frequency=.25 --seed=random_seed"
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--focus", type ="string", default ='', help="bineary 3D mask for focused clustering ")
parser.add_option("--ir", type = "int", default =1, help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option("--radius", type = "int", default =-1, help="particle radius in pixel for rotational correlation <nx-1 (set to the radius of the particle)")
parser.add_option("--maxit", type = "int", default =25, help="maximum number of iteration")
parser.add_option("--rs", type = "int", default =1, help="step between rings in rotational correlation >0 (set to 1)" )
parser.add_option("--xr", type ="string", default ='1', help="range for translation search in x direction, search is +/-xr ")
parser.add_option("--yr", type ="string", default ='-1', help="range for translation search in y direction, search is +/-yr (default = same as xr)")
parser.add_option("--ts", type ="string", default ='0.25', help="step size of the translation search in both directions direction, search is -xr, -xr+ts, 0, xr-ts, xr ")
parser.add_option("--delta", type ="string", default ='2', help="angular step of reference projections")
parser.add_option("--an", type ="string", default ='-1', help="angular neighborhood for local searches")
parser.add_option("--center", type ="int", default =0, help="0 - if you do not want the volume to be centered, 1 - center the volume using cog (default=0)")
parser.add_option("--nassign", type ="int", default =1, help="number of reassignment iterations performed for each angular step (set to 3) ")
parser.add_option("--nrefine", type ="int", default =0, help="number of alignment iterations performed for each angular step (set to 0)")
parser.add_option("--CTF", action ="store_true", default =False, help="do CTF correction during clustring")
parser.add_option("--stoprnct", type ="float", default =3.0, help="Minimum percentage of assignment change to stop the program")
parser.add_option("--sym", type ="string", default ='c1', help="symmetry of the structure ")
parser.add_option("--function", type ="string", default ='do_volume_mrk05', help="name of the reference preparation function")
parser.add_option("--independent", type ="int", default = 3, help="number of independent run")
parser.add_option("--number_of_images_per_group", type ="int", default =1000, help="number of groups")
parser.add_option("--low_pass_filter", type ="float", default =-1.0, help="absolute frequency of low-pass filter for 3d sorting on the original image size" )
parser.add_option("--nxinit", type ="int", default =64, help="initial image size for sorting" )
parser.add_option("--unaccounted", action ="store_true", default =False, help="reconstruct the unaccounted images")
parser.add_option("--seed", type ="int", default =-1, help="random seed for create initial random assignment for EQ Kmeans")
parser.add_option("--smallest_group", type ="int", default =500, help="minimum members for identified group")
parser.add_option("--sausage", action ="store_true", default =False, help="way of filter volume")
parser.add_option("--chunkdir", type ="string", default ='', help="chunkdir for computing margin of error")
parser.add_option("--PWadjustment", type ="string", default ='', help="1-D power spectrum of PDB file used for EM volume power spectrum correction")
parser.add_option("--protein_shape", type ="string", default ='g', help="protein shape. It defines protein preferred orientation angles. Currently it has g and f two types ")
parser.add_option("--upscale", type ="float", default =0.5, help=" scaling parameter to adjust the power spectrum of EM volumes")
parser.add_option("--wn", type ="int", default =0, help="optimal window size for data processing")
parser.add_option("--interpolation", type ="string", default ="4nn", help="3-d reconstruction interpolation method, two options trl and 4nn")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 1 or len(args) > 4:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args)>2:
mask_file = args[2]
else:
mask_file = None
orgstack =args[0]
masterdir =args[1]
global_def.BATCH = True
#---initialize MPI related variables
from mpi import mpi_init, mpi_comm_size, MPI_COMM_WORLD, mpi_comm_rank,mpi_barrier,mpi_bcast, mpi_bcast, MPI_INT,MPI_CHAR
sys.argv = mpi_init(len(sys.argv),sys.argv)
nproc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
mpi_comm = MPI_COMM_WORLD
main_node= 0
# import some utilities
from utilities import get_im,bcast_number_to_all,cmdexecute,write_text_file,read_text_file,wrap_mpi_bcast, get_params_proj, write_text_row
from applications import recons3d_n_MPI, mref_ali3d_MPI, Kmref_ali3d_MPI
from statistics import k_means_match_clusters_asg_new,k_means_stab_bbenum
from applications import mref_ali3d_EQ_Kmeans, ali3d_mref_Kmeans_MPI
# Create the main log file
from logger import Logger,BaseLogger_Files
if myid ==main_node:
log_main=Logger(BaseLogger_Files())
log_main.prefix = masterdir+"/"
else:
log_main =None
#--- fill input parameters into dictionary named after Constants
Constants ={}
Constants["stack"] = args[0]
Constants["masterdir"] = masterdir
Constants["mask3D"] = mask_file
Constants["focus3Dmask"] = options.focus
Constants["indep_runs"] = options.independent
Constants["stoprnct"] = options.stoprnct
Constants["number_of_images_per_group"] = options.number_of_images_per_group
Constants["CTF"] = options.CTF
Constants["maxit"] = options.maxit
Constants["ir"] = options.ir
Constants["radius"] = options.radius
Constants["nassign"] = options.nassign
Constants["rs"] = options.rs
Constants["xr"] = options.xr
Constants["yr"] = options.yr
Constants["ts"] = options.ts
Constants["delta"] = options.delta
Constants["an"] = options.an
Constants["sym"] = options.sym
Constants["center"] = options.center
Constants["nrefine"] = options.nrefine
#Constants["fourvar"] = options.fourvar
Constants["user_func"] = options.function
Constants["low_pass_filter"] = options.low_pass_filter # enforced low_pass_filter
#Constants["debug"] = options.debug
Constants["main_log_prefix"] = args[1]
#Constants["importali3d"] = options.importali3d
Constants["myid"] = myid
Constants["main_node"] = main_node
Constants["nproc"] = nproc
Constants["log_main"] = log_main
Constants["nxinit"] = options.nxinit
Constants["unaccounted"] = options.unaccounted
Constants["seed"] = options.seed
Constants["smallest_group"] = options.smallest_group
Constants["sausage"] = options.sausage
Constants["chunkdir"] = options.chunkdir
Constants["PWadjustment"] = options.PWadjustment
Constants["upscale"] = options.upscale
Constants["wn"] = options.wn
Constants["3d-interpolation"] = options.interpolation
Constants["protein_shape"] = options.protein_shape
# -----------------------------------------------------
#
# Create and initialize Tracker dictionary with input options
Tracker = {}
Tracker["constants"] = Constants
Tracker["maxit"] = Tracker["constants"]["maxit"]
Tracker["radius"] = Tracker["constants"]["radius"]
#Tracker["xr"] = ""
#Tracker["yr"] = "-1" # Do not change!
#Tracker["ts"] = 1
#Tracker["an"] = "-1"
#Tracker["delta"] = "2.0"
#Tracker["zoom"] = True
#Tracker["nsoft"] = 0
#Tracker["local"] = False
#Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"]
Tracker["upscale"] = Tracker["constants"]["upscale"]
#Tracker["upscale"] = 0.5
Tracker["applyctf"] = False # Should the data be premultiplied by the CTF. Set to False for local continuous.
#Tracker["refvol"] = None
Tracker["nxinit"] = Tracker["constants"]["nxinit"]
#Tracker["nxstep"] = 32
Tracker["icurrentres"] = -1
#Tracker["ireachedres"] = -1
#Tracker["lowpass"] = 0.4
#Tracker["falloff"] = 0.2
#Tracker["inires"] = options.inires # Now in A, convert to absolute before using
Tracker["fuse_freq"] = 50 # Now in A, convert to absolute before using
#Tracker["delpreviousmax"] = False
#Tracker["anger"] = -1.0
#Tracker["shifter"] = -1.0
#Tracker["saturatecrit"] = 0.95
#Tracker["pixercutoff"] = 2.0
#Tracker["directory"] = ""
#Tracker["previousoutputdir"] = ""
#Tracker["eliminated-outliers"] = False
#Tracker["mainiteration"] = 0
#Tracker["movedback"] = False
#Tracker["state"] = Tracker["constants"]["states"][0]
#Tracker["global_resolution"] =0.0
Tracker["orgstack"] = orgstack
#--------------------------------------------------------------------
# import from utilities
from utilities import sample_down_1D_curve,get_initial_ID,remove_small_groups,print_upper_triangular_matrix,print_a_line_with_timestamp
from utilities import print_dict,get_resolution_mrk01,partition_to_groups,partition_independent_runs,get_outliers
from utilities import merge_groups, save_alist, margin_of_error, get_margin_of_error, do_two_way_comparison, select_two_runs, get_ali3d_params
from utilities import counting_projections, unload_dict, load_dict, get_stat_proj, create_random_list, get_number_of_groups, recons_mref
from utilities import apply_low_pass_filter, get_groups_from_partition, get_number_of_groups, get_complementary_elements_total, update_full_dict
from utilities import count_chunk_members, set_filter_parameters_from_adjusted_fsc, adjust_fsc_down, get_two_chunks_from_stack
####------------------------------------------------------------------
#
# Get the pixel size; if none, set to 1.0, and the original image size
from utilities import get_shrink_data_huang
if(myid == main_node):
line = strftime("%Y-%m-%d_%H:%M:%S", localtime()) + " =>"
print(line+"Initialization of 3-D sorting")
a = get_im(orgstack)
nnxo = a.get_xsize()
if( Tracker["nxinit"] > nnxo ):
ERROR("Image size less than minimum permitted $d"%Tracker["nxinit"],"sxsort3d.py",1)
nnxo = -1
else:
if Tracker["constants"]["CTF"]:
i = a.get_attr('ctf')
pixel_size = i.apix
fq = pixel_size/Tracker["fuse_freq"]
else:
pixel_size = 1.0
# No pixel size, fusing computed as 5 Fourier pixels
fq = 5.0/nnxo
del a
else:
nnxo = 0
fq = 0.0
pixel_size = 1.0
nnxo = bcast_number_to_all(nnxo, source_node = main_node)
if( nnxo < 0 ):
mpi_finalize()
exit()
pixel_size = bcast_number_to_all(pixel_size, source_node = main_node)
fq = bcast_number_to_all(fq, source_node = main_node)
if Tracker["constants"]["wn"]==0:
Tracker["constants"]["nnxo"] = nnxo
else:
Tracker["constants"]["nnxo"] = Tracker["constants"]["wn"]
nnxo = Tracker["constants"]["nnxo"]
Tracker["constants"]["pixel_size"] = pixel_size
Tracker["fuse_freq"] = fq
del fq, nnxo, pixel_size
if(Tracker["constants"]["radius"] < 1):
Tracker["constants"]["radius"] = Tracker["constants"]["nnxo"]//2-2
elif((2*Tracker["constants"]["radius"] +2) > Tracker["constants"]["nnxo"]):
ERROR("Particle radius set too large!","sxsort3d.py",1,myid)
####-----------------------------------------------------------------------------------------
# Master directory
if myid == main_node:
if masterdir =="":
timestring = strftime("_%d_%b_%Y_%H_%M_%S", localtime())
masterdir ="master_sort3d"+timestring
li =len(masterdir)
cmd="{} {}".format("mkdir", masterdir)
os.system(cmd)
else:
li=0
li = mpi_bcast(li,1,MPI_INT,main_node,MPI_COMM_WORLD)[0]
if li>0:
masterdir = mpi_bcast(masterdir,li,MPI_CHAR,main_node,MPI_COMM_WORLD)
import string
masterdir = string.join(masterdir,"")
if myid ==main_node:
print_dict(Tracker["constants"],"Permanent settings of 3-D sorting program")
######### create a vstack from input stack to the local stack in masterdir
# stack name set to default
Tracker["constants"]["stack"] = "bdb:"+masterdir+"/rdata"
Tracker["constants"]["ali3d"] = os.path.join(masterdir, "ali3d_init.txt")
Tracker["constants"]["ctf_params"] = os.path.join(masterdir, "ctf_params.txt")
Tracker["constants"]["partstack"] = Tracker["constants"]["ali3d"] # also serves for refinement
if myid == main_node:
total_stack = EMUtil.get_image_count(Tracker["orgstack"])
else:
total_stack = 0
total_stack = bcast_number_to_all(total_stack, source_node = main_node)
mpi_barrier(MPI_COMM_WORLD)
from time import sleep
while not os.path.exists(masterdir):
print "Node ",myid," waiting..."
sleep(5)
mpi_barrier(MPI_COMM_WORLD)
if myid == main_node:
log_main.add("Sphire sort3d ")
log_main.add("the sort3d master directory is "+masterdir)
#####
###----------------------------------------------------------------------------------
# Initial data analysis and handle two chunk files
from random import shuffle
# Compute the resolution
#### make chunkdir dictionary for computing margin of error
import user_functions
user_func = user_functions.factory[Tracker["constants"]["user_func"]]
chunk_dict = {}
chunk_list = []
if myid == main_node:
chunk_one = read_text_file(os.path.join(Tracker["constants"]["chunkdir"],"chunk0.txt"))
chunk_two = read_text_file(os.path.join(Tracker["constants"]["chunkdir"],"chunk1.txt"))
else:
chunk_one = 0
chunk_two = 0
chunk_one = wrap_mpi_bcast(chunk_one, main_node)
chunk_two = wrap_mpi_bcast(chunk_two, main_node)
mpi_barrier(MPI_COMM_WORLD)
######################## Read/write bdb: data on main node ############################
if myid==main_node:
if(orgstack[:4] == "bdb:"): cmd = "{} {} {}".format("e2bdb.py", orgstack,"--makevstack="+Tracker["constants"]["stack"])
else: cmd = "{} {} {}".format("sxcpy.py", orgstack, Tracker["constants"]["stack"])
cmdexecute(cmd)
cmd = "{} {} {}".format("sxheader.py --params=xform.projection", "--export="+Tracker["constants"]["ali3d"],orgstack)
cmdexecute(cmd)
cmd = "{} {} {}".format("sxheader.py --params=ctf", "--export="+Tracker["constants"]["ctf_params"],orgstack)
cmdexecute(cmd)
mpi_barrier(MPI_COMM_WORLD)
########-----------------------------------------------------------------------------
Tracker["total_stack"] = total_stack
Tracker["constants"]["total_stack"] = total_stack
Tracker["shrinkage"] = float(Tracker["nxinit"])/Tracker["constants"]["nnxo"]
Tracker["radius"] = Tracker["constants"]["radius"]*Tracker["shrinkage"]
if Tracker["constants"]["mask3D"]:
Tracker["mask3D"] = os.path.join(masterdir,"smask.hdf")
else:
Tracker["mask3D"] = None
if Tracker["constants"]["focus3Dmask"]:
Tracker["focus3D"] = os.path.join(masterdir,"sfocus.hdf")
else:
Tracker["focus3D"] = None
if myid == main_node:
if Tracker["constants"]["mask3D"]:
mask_3D = get_shrink_3dmask(Tracker["nxinit"],Tracker["constants"]["mask3D"])
mask_3D.write_image(Tracker["mask3D"])
if Tracker["constants"]["focus3Dmask"]:
mask_3D = get_shrink_3dmask(Tracker["nxinit"],Tracker["constants"]["focus3Dmask"])
st = Util.infomask(mask_3D, None, True)
if( st[0] == 0.0 ): ERROR("sxrsort3d","incorrect focused mask, after binarize all values zero",1)
mask_3D.write_image(Tracker["focus3D"])
del mask_3D
if Tracker["constants"]["PWadjustment"] !='':
PW_dict = {}
nxinit_pwsp = sample_down_1D_curve(Tracker["constants"]["nxinit"],Tracker["constants"]["nnxo"],Tracker["constants"]["PWadjustment"])
Tracker["nxinit_PW"] = os.path.join(masterdir,"spwp.txt")
if myid == main_node: write_text_file(nxinit_pwsp,Tracker["nxinit_PW"])
PW_dict[Tracker["constants"]["nnxo"]] = Tracker["constants"]["PWadjustment"]
PW_dict[Tracker["constants"]["nxinit"]] = Tracker["nxinit_PW"]
Tracker["PW_dict"] = PW_dict
mpi_barrier(MPI_COMM_WORLD)
#-----------------------From two chunks to FSC, and low pass filter-----------------------------------------###
for element in chunk_one: chunk_dict[element] = 0
for element in chunk_two: chunk_dict[element] = 1
chunk_list =[chunk_one, chunk_two]
Tracker["chunk_dict"] = chunk_dict
Tracker["P_chunk0"] = len(chunk_one)/float(total_stack)
Tracker["P_chunk1"] = len(chunk_two)/float(total_stack)
### create two volumes to estimate resolution
if myid == main_node:
for index in xrange(2): write_text_file(chunk_list[index],os.path.join(masterdir,"chunk%01d.txt"%index))
mpi_barrier(MPI_COMM_WORLD)
vols = []
for index in xrange(2):
data,old_shifts = get_shrink_data_huang(Tracker,Tracker["constants"]["nxinit"], os.path.join(masterdir,"chunk%01d.txt"%index), Tracker["constants"]["partstack"],myid,main_node,nproc,preshift=True)
vol = recons3d_4nn_ctf_MPI(myid=myid, prjlist=data,symmetry=Tracker["constants"]["sym"], finfo=None)
if myid == main_node:
vol.write_image(os.path.join(masterdir, "vol%d.hdf"%index))
vols.append(vol)
mpi_barrier(MPI_COMM_WORLD)
if myid ==main_node:
low_pass, falloff,currentres = get_resolution_mrk01(vols,Tracker["constants"]["radius"],Tracker["constants"]["nxinit"],masterdir,Tracker["mask3D"])
if low_pass >Tracker["constants"]["low_pass_filter"]: low_pass= Tracker["constants"]["low_pass_filter"]
else:
low_pass =0.0
falloff =0.0
currentres =0.0
bcast_number_to_all(currentres,source_node = main_node)
bcast_number_to_all(low_pass,source_node = main_node)
bcast_number_to_all(falloff,source_node = main_node)
Tracker["currentres"] = currentres
Tracker["falloff"] = falloff
if Tracker["constants"]["low_pass_filter"] ==-1.0:
Tracker["low_pass_filter"] = min(.45,low_pass/Tracker["shrinkage"]) # no better than .45
else:
Tracker["low_pass_filter"] = min(.45,Tracker["constants"]["low_pass_filter"]/Tracker["shrinkage"])
Tracker["lowpass"] = Tracker["low_pass_filter"]
Tracker["falloff"] =.1
Tracker["global_fsc"] = os.path.join(masterdir, "fsc.txt")
############################################################################################
if myid == main_node:
log_main.add("The command-line inputs are as following:")
log_main.add("**********************************************************")
for a in sys.argv:
if myid == main_node:log_main.add(a)
if myid == main_node:
log_main.add("number of cpus used in this run is %d"%Tracker["constants"]["nproc"])
log_main.add("**********************************************************")
from filter import filt_tanl
### START 3-D sorting
if myid ==main_node:
log_main.add("----------3-D sorting program------- ")
log_main.add("current resolution %6.3f for images of original size in terms of absolute frequency"%Tracker["currentres"])
log_main.add("equivalent to %f Angstrom resolution"%(Tracker["constants"]["pixel_size"]/Tracker["currentres"]/Tracker["shrinkage"]))
log_main.add("the user provided enforced low_pass_filter is %f"%Tracker["constants"]["low_pass_filter"])
#log_main.add("equivalent to %f Angstrom resolution"%(Tracker["constants"]["pixel_size"]/Tracker["constants"]["low_pass_filter"]))
for index in xrange(2):
filt_tanl(get_im(os.path.join(masterdir,"vol%01d.hdf"%index)), Tracker["low_pass_filter"],Tracker["falloff"]).write_image(os.path.join(masterdir, "volf%01d.hdf"%index))
mpi_barrier(MPI_COMM_WORLD)
from utilities import get_input_from_string
delta = get_input_from_string(Tracker["constants"]["delta"])
delta = delta[0]
from utilities import even_angles
n_angles = even_angles(delta, 0, 180)
this_ali3d = Tracker["constants"]["ali3d"]
sampled = get_stat_proj(Tracker,delta,this_ali3d)
if myid ==main_node:
nc = 0
for a in sampled:
if len(sampled[a])>0:
nc += 1
log_main.add("total sampled direction %10d at angle step %6.3f"%(len(n_angles), delta))
log_main.add("captured sampled directions %10d percentage covered by data %6.3f"%(nc,float(nc)/len(n_angles)*100))
number_of_images_per_group = Tracker["constants"]["number_of_images_per_group"]
if myid ==main_node: log_main.add("user provided number_of_images_per_group %d"%number_of_images_per_group)
Tracker["number_of_images_per_group"] = number_of_images_per_group
number_of_groups = get_number_of_groups(total_stack,number_of_images_per_group)
Tracker["number_of_groups"] = number_of_groups
generation =0
partition_dict ={}
full_dict ={}
workdir =os.path.join(masterdir,"generation%03d"%generation)
Tracker["this_dir"] = workdir
if myid ==main_node:
log_main.add("---- generation %5d"%generation)
log_main.add("number of images per group is set as %d"%number_of_images_per_group)
log_main.add("the initial number of groups is %10d "%number_of_groups)
cmd="{} {}".format("mkdir",workdir)
os.system(cmd)
mpi_barrier(MPI_COMM_WORLD)
list_to_be_processed = range(Tracker["constants"]["total_stack"])
Tracker["this_data_list"] = list_to_be_processed
create_random_list(Tracker)
#################################
full_dict ={}
for iptl in xrange(Tracker["constants"]["total_stack"]):
full_dict[iptl] = iptl
Tracker["full_ID_dict"] = full_dict
#################################
for indep_run in xrange(Tracker["constants"]["indep_runs"]):
Tracker["this_particle_list"] = Tracker["this_indep_list"][indep_run]
ref_vol = recons_mref(Tracker)
if myid == main_node: log_main.add("independent run %10d"%indep_run)
mpi_barrier(MPI_COMM_WORLD)
Tracker["this_data_list"] = list_to_be_processed
Tracker["total_stack"] = len(Tracker["this_data_list"])
Tracker["this_particle_text_file"] = os.path.join(workdir,"independent_list_%03d.txt"%indep_run) # for get_shrink_data
if myid == main_node: write_text_file(Tracker["this_data_list"], Tracker["this_particle_text_file"])
mpi_barrier(MPI_COMM_WORLD)
outdir = os.path.join(workdir, "EQ_Kmeans%03d"%indep_run)
ref_vol = apply_low_pass_filter(ref_vol,Tracker)
mref_ali3d_EQ_Kmeans(ref_vol, outdir, Tracker["this_particle_text_file"], Tracker)
partition_dict[indep_run]=Tracker["this_partition"]
Tracker["partition_dict"] = partition_dict
Tracker["total_stack"] = len(Tracker["this_data_list"])
Tracker["this_total_stack"] = Tracker["total_stack"]
###############################
do_two_way_comparison(Tracker)
###############################
ref_vol_list = []
from time import sleep
number_of_ref_class = []
for igrp in xrange(len(Tracker["two_way_stable_member"])):
Tracker["this_data_list"] = Tracker["two_way_stable_member"][igrp]
Tracker["this_data_list_file"] = os.path.join(workdir,"stable_class%d.txt"%igrp)
if myid == main_node:
write_text_file(Tracker["this_data_list"], Tracker["this_data_list_file"])
data,old_shifts = get_shrink_data_huang(Tracker,Tracker["nxinit"], Tracker["this_data_list_file"], Tracker["constants"]["partstack"], myid, main_node, nproc, preshift = True)
volref = recons3d_4nn_ctf_MPI(myid=myid, prjlist = data, symmetry=Tracker["constants"]["sym"], finfo = None)
ref_vol_list.append(volref)
number_of_ref_class.append(len(Tracker["this_data_list"]))
if myid == main_node:
log_main.add("group %d members %d "%(igrp,len(Tracker["this_data_list"])))
Tracker["number_of_ref_class"] = number_of_ref_class
nx_of_image = ref_vol_list[0].get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"] = Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"] # no PW adjustment
if myid == main_node:
for iref in xrange(len(ref_vol_list)):
refdata = [None]*4
refdata[0] = ref_vol_list[iref]
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
volref.write_image(os.path.join(workdir,"volf_stable.hdf"),iref)
mpi_barrier(MPI_COMM_WORLD)
Tracker["this_data_list"] = Tracker["this_accounted_list"]
outdir = os.path.join(workdir,"Kmref")
empty_group, res_groups, final_list = ali3d_mref_Kmeans_MPI(ref_vol_list,outdir,Tracker["this_accounted_text"],Tracker)
Tracker["this_unaccounted_list"] = get_complementary_elements(list_to_be_processed,final_list)
if myid == main_node:
log_main.add("the number of particles not processed is %d"%len(Tracker["this_unaccounted_list"]))
write_text_file(Tracker["this_unaccounted_list"],Tracker["this_unaccounted_text"])
update_full_dict(Tracker["this_unaccounted_list"], Tracker)
#######################################
number_of_groups = len(res_groups)
vol_list = []
number_of_ref_class = []
for igrp in xrange(number_of_groups):
data,old_shifts = get_shrink_data_huang(Tracker, Tracker["constants"]["nnxo"], os.path.join(outdir,"Class%d.txt"%igrp), Tracker["constants"]["partstack"],myid,main_node,nproc,preshift = True)
volref = recons3d_4nn_ctf_MPI(myid=myid, prjlist = data, symmetry=Tracker["constants"]["sym"], finfo=None)
vol_list.append(volref)
if( myid == main_node ): npergroup = len(read_text_file(os.path.join(outdir,"Class%d.txt"%igrp)))
else: npergroup = 0
npergroup = bcast_number_to_all(npergroup, main_node )
number_of_ref_class.append(npergroup)
Tracker["number_of_ref_class"] = number_of_ref_class
mpi_barrier(MPI_COMM_WORLD)
nx_of_image = vol_list[0].get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"]=Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"]=Tracker["constants"]["PWadjustment"]
if myid == main_node:
for ivol in xrange(len(vol_list)):
refdata =[None]*4
refdata[0] = vol_list[ivol]
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
volref.write_image(os.path.join(workdir,"volf_of_Classes.hdf"),ivol)
log_main.add("number of unaccounted particles %10d"%len(Tracker["this_unaccounted_list"]))
log_main.add("number of accounted particles %10d"%len(Tracker["this_accounted_list"]))
Tracker["this_data_list"] = Tracker["this_unaccounted_list"] # reset parameters for the next round calculation
Tracker["total_stack"] = len(Tracker["this_unaccounted_list"])
Tracker["this_total_stack"] = Tracker["total_stack"]
number_of_groups = get_number_of_groups(len(Tracker["this_unaccounted_list"]),number_of_images_per_group)
Tracker["number_of_groups"] = number_of_groups
while number_of_groups >= 2 :
generation +=1
partition_dict ={}
workdir =os.path.join(masterdir,"generation%03d"%generation)
Tracker["this_dir"] = workdir
if myid ==main_node:
log_main.add("*********************************************")
log_main.add("----- generation %5d "%generation)
log_main.add("number of images per group is set as %10d "%number_of_images_per_group)
log_main.add("the number of groups is %10d "%number_of_groups)
log_main.add(" number of particles for clustering is %10d"%Tracker["total_stack"])
cmd ="{} {}".format("mkdir",workdir)
os.system(cmd)
mpi_barrier(MPI_COMM_WORLD)
create_random_list(Tracker)
for indep_run in xrange(Tracker["constants"]["indep_runs"]):
Tracker["this_particle_list"] = Tracker["this_indep_list"][indep_run]
ref_vol = recons_mref(Tracker)
if myid == main_node:
log_main.add("independent run %10d"%indep_run)
outdir = os.path.join(workdir, "EQ_Kmeans%03d"%indep_run)
Tracker["this_data_list"] = Tracker["this_unaccounted_list"]
#ref_vol=apply_low_pass_filter(ref_vol,Tracker)
mref_ali3d_EQ_Kmeans(ref_vol,outdir,Tracker["this_unaccounted_text"],Tracker)
partition_dict[indep_run] = Tracker["this_partition"]
Tracker["this_data_list"] = Tracker["this_unaccounted_list"]
Tracker["total_stack"] = len(Tracker["this_unaccounted_list"])
Tracker["partition_dict"] = partition_dict
Tracker["this_total_stack"] = Tracker["total_stack"]
total_list_of_this_run = Tracker["this_unaccounted_list"]
###############################
do_two_way_comparison(Tracker)
###############################
ref_vol_list = []
number_of_ref_class = []
for igrp in xrange(len(Tracker["two_way_stable_member"])):
Tracker["this_data_list"] = Tracker["two_way_stable_member"][igrp]
Tracker["this_data_list_file"] = os.path.join(workdir,"stable_class%d.txt"%igrp)
if myid == main_node: write_text_file(Tracker["this_data_list"], Tracker["this_data_list_file"])
mpi_barrier(MPI_COMM_WORLD)
data,old_shifts = get_shrink_data_huang(Tracker,Tracker["constants"]["nxinit"],Tracker["this_data_list_file"],Tracker["constants"]["partstack"],myid,main_node,nproc,preshift = True)
volref = recons3d_4nn_ctf_MPI(myid=myid, prjlist = data, symmetry=Tracker["constants"]["sym"],finfo= None)
#volref = filt_tanl(volref, Tracker["constants"]["low_pass_filter"],.1)
if myid == main_node:volref.write_image(os.path.join(workdir,"vol_stable.hdf"),iref)
#volref = resample(volref,Tracker["shrinkage"])
ref_vol_list.append(volref)
number_of_ref_class.append(len(Tracker["this_data_list"]))
mpi_barrier(MPI_COMM_WORLD)
Tracker["number_of_ref_class"] = number_of_ref_class
Tracker["this_data_list"] = Tracker["this_accounted_list"]
outdir = os.path.join(workdir,"Kmref")
empty_group, res_groups, final_list = ali3d_mref_Kmeans_MPI(ref_vol_list,outdir,Tracker["this_accounted_text"],Tracker)
# calculate the 3-D structure of original image size for each group
number_of_groups = len(res_groups)
Tracker["this_unaccounted_list"] = get_complementary_elements(total_list_of_this_run,final_list)
if myid == main_node:
log_main.add("the number of particles not processed is %d"%len(Tracker["this_unaccounted_list"]))
write_text_file(Tracker["this_unaccounted_list"],Tracker["this_unaccounted_text"])
mpi_barrier(MPI_COMM_WORLD)
update_full_dict(Tracker["this_unaccounted_list"],Tracker)
vol_list = []
for igrp in xrange(number_of_groups):
data,old_shifts = get_shrink_data_huang(Tracker,Tracker["constants"]["nnxo"], os.path.join(outdir,"Class%d.txt"%igrp), Tracker["constants"]["partstack"], myid, main_node, nproc,preshift = True)
volref = recons3d_4nn_ctf_MPI(myid=myid, prjlist = data, symmetry=Tracker["constants"]["sym"],finfo= None)
vol_list.append(volref)
mpi_barrier(MPI_COMM_WORLD)
nx_of_image=ref_vol_list[0].get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"] = Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"] = Tracker["constants"]["PWadjustment"]
if myid == main_node:
for ivol in xrange(len(vol_list)):
refdata = [None]*4
refdata[0] = vol_list[ivol]
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
volref.write_image(os.path.join(workdir, "volf_of_Classes.hdf"),ivol)
log_main.add("number of unaccounted particles %10d"%len(Tracker["this_unaccounted_list"]))
log_main.add("number of accounted particles %10d"%len(Tracker["this_accounted_list"]))
del vol_list
mpi_barrier(MPI_COMM_WORLD)
number_of_groups = get_number_of_groups(len(Tracker["this_unaccounted_list"]),number_of_images_per_group)
Tracker["number_of_groups"] = number_of_groups
Tracker["this_data_list"] = Tracker["this_unaccounted_list"]
Tracker["total_stack"] = len(Tracker["this_unaccounted_list"])
if Tracker["constants"]["unaccounted"]:
data,old_shifts = get_shrink_data_huang(Tracker,Tracker["constants"]["nnxo"],Tracker["this_unaccounted_text"],Tracker["constants"]["partstack"],myid,main_node,nproc,preshift = True)
volref = recons3d_4nn_ctf_MPI(myid=myid, prjlist = data, symmetry=Tracker["constants"]["sym"],finfo= None)
nx_of_image = volref.get_xsize()
if Tracker["constants"]["PWadjustment"]:
Tracker["PWadjustment"]=Tracker["PW_dict"][nx_of_image]
else:
Tracker["PWadjustment"]=Tracker["constants"]["PWadjustment"]
if( myid == main_node ):
refdata = [None]*4
refdata[0] = volref
refdata[1] = Tracker
refdata[2] = Tracker["constants"]["myid"]
refdata[3] = Tracker["constants"]["nproc"]
volref = user_func(refdata)
#volref = filt_tanl(volref, Tracker["constants"]["low_pass_filter"],.1)
volref.write_image(os.path.join(workdir,"volf_unaccounted.hdf"))
# Finish program
if myid ==main_node: log_main.add("sxsort3d finishes")
mpi_barrier(MPI_COMM_WORLD)
from mpi import mpi_finalize
mpi_finalize()
exit()
def main():
mpi.mpi_init(0, [])
sp_global_def.print_timestamp("Start")
main(sys.argv[1:])
sp_global_def.print_timestamp("Finish")
mpi.mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --K=10 --trials=2 --debug --maxit=100 --rand_seed=10 --crit='all' --F=0.9 --T0=2.0 --init_method='rnd' --normalize --CTF --MPI --CUDA"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--K",
type="int",
default=2,
help="Number of classes (default 2)")
parser.add_option("--trials",
type="int",
default=1,
help="Number of trials of K-means (default 1)")
parser.add_option("--maxit",
type="int",
default=100,
help="Maximum number of iterations within K-means")
parser.add_option("--CTF",
action="store_true",
default=False,
help="Perform classification using CTF information")
parser.add_option("--rand_seed",
type="int",
default=-1,
help="Random seed of initial (default random)")
parser.add_option(
"--crit",
type="string",
default="D",
help=
"Criterions: Coleman [C], Harabasz[H], Davies-Bouldin[D], All [all]")
#parser.add_option("--F", type="float", default=0.0, help="Cooling in simulated annealing, ex.: 0.9")
#parser.add_option("--T0", type="float", default=0.0, help="Initial temperature in simulated annealing, ex: 100")
parser.add_option("--MPI",
action="store_true",
default=False,
help="Use MPI version")
parser.add_option("--debug", action="store_true", default=False, help="")
parser.add_option("--normalize",
action="store_true",
default=False,
help="Normalize images under the mask")
parser.add_option(
'--init_method',
type='string',
default='rnd',
help=
'Method used to initialize partition: "rnd" randomize or "d2w" for d2 weighting initialization (default is rnd)'
)
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
elif options.trials < 1:
sys.stderr.write("ERROR: Number of trials should be at least 1.\n\n")
sys.exit()
else:
if len(args) == 2: mask = None
else: mask = args[2]
if options.K < 2:
sys.stderr.write('ERROR: K must be > 1 group\n\n')
sys.exit()
if options.CTF:
sys.stderr.write('ERROR: CTF option not implemented\n\n')
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import k_means_main
global_def.BATCH = True
k_means_main(args[0], args[1], mask, "SSE", options.K,
options.rand_seed, options.maxit, options.trials,
options.crit, options.CTF, 0.0, 0.0, options.MPI, False,
options.debug, options.normalize, options.init_method)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
import sys
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " prjstack outdir bufprefix --delta --d --nvol --nbufvol --seedbase --snr --npad --CTF --MPI --verbose"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--nvol",
type="int",
help="number of resample volumes to be generated")
parser.add_option("--nbufvol",
type="int",
default=1,
help="number of fftvols in the memory")
parser.add_option("--delta",
type="float",
default=10.0,
help="angular step for cones")
parser.add_option("--d",
type="float",
default=0.1,
help="fraction of projections to leave out")
parser.add_option("--CTF",
action="store_true",
default=False,
help="use CTF")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio")
parser.add_option("--npad", type="int", default=2, help="times of padding")
parser.add_option("--seedbase",
type="int",
default=-1,
help="random seed base")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI")
parser.add_option("--verbose",
type="int",
default=0,
help="verbose level: 0 no, 1 yes")
(options, args) = parser.parse_args(arglist[1:])
if (len(args) != 1 and len(args) != 3):
print("usage: " + usage)
return None
prjfile = args[0]
if options.MPI:
from mpi import mpi_barrier, mpi_comm_rank, mpi_comm_size, mpi_comm_split, MPI_COMM_WORLD
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
myid = mpi_comm_rank(MPI_COMM_WORLD)
ncpu = mpi_comm_size(MPI_COMM_WORLD)
else:
myid = 0
ncpu = 1
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
outdir = args[1]
bufprefix = args[2]
resample( prjfile, outdir, bufprefix, options.nbufvol, options.nvol, options.seedbase,\
options.delta, options.d, options.snr, options.CTF, options.npad,\
options.MPI, myid, ncpu, options.verbose )
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
import os
import sys
from optparse import OptionParser
from global_def import SPARXVERSION
import global_def
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage2 = progname + """ inputfile outputfile [options]
Functionalities:
1. Helicise input volume and save the result to output volume:
sxhelicon_utils.py input_vol.hdf output_vol.hdf --helicise --dp=27.6 --dphi=166.5 --fract=0.65 --rmax=70 --rmin=1 --apix=1.84 --sym=D1
2. Helicise pdb file and save the result to a new pdb file:
sxhelicon_utils.py input.pdb output.pdb --helicisepdb --dp=27.6 --dphi=166.5 --nrepeats --apix=1.84
3. Generate two lists of image indices used to split segment stack into halves for helical fsc calculation.
sxhelicon_utils.py bdb:big_stack --hfsc='flst' --filament_attr=filament
4. Map of filament distribution in the stack
sxhelicon_utils.py bdb:big_stack --filinfo=info.txt
The output file will contain four columns:
1 2 3 4
first image number last image number number of images in the filament name
5. Predict segments' orientation parameters based on distances between segments and known helical symmetry
sxhelicon_utils.py bdb:big_stack --predict_helical=helical_params.txt --dp=27.6 --dphi=166.5 --apix=1.84
6. Generate disks from filament based reconstructions:
sxheader.py stk.hdf --params=xform.projection --import=params.txt
mpirun -np 2 sxhelicon_utils.py stk.hdf --gendisk='bdb:disk' --ref_nx=100 --ref_ny=100 --ref_nz=200 --apix=1.84 --dp=27.6 --dphi=166.715 --fract=0.67 --rmin=0 --rmax=64 --function="[.,nofunc,helical3c]" --sym="c1" --MPI
7. Stack disks based on helical symmetry parameters
sxhelicon_utils.py disk_to_stack.hdf --stackdisk=stacked_disks.hdf --dphi=166.5 --dp=27.6 --ref_nx=160 --ref_ny=160 --ref_nz=225 --apix=1.84
8. Helical symmetry search:
mpirun -np 3 sxhelicon_utils.py volf0010.hdf outsymsearch --symsearch --dp=27.6 --dphi=166.715 --apix=1.84 --fract=0.65 --rmin=0 --rmax=92.0 --datasym=datasym.txt --dp_step=0.92 --ndp=3 --dphi_step=1.0 --ndphi=10 --MPI
"""
parser = OptionParser(usage2, version=SPARXVERSION)
#parser.add_option("--ir", type="float", default= -1, help="inner radius for rotational correlation > 0 (set to 1) (Angstroms)")
parser.add_option(
"--ou",
type="float",
default=-1,
help=
"outer radius for rotational 2D correlation < int(nx/2)-1 (set to the radius of the particle) (Angstroms)"
)
parser.add_option(
"--rs",
type="int",
default=1,
help="step between rings in rotational correlation >0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default="4 2 1 1 1",
help=
"range for translation search in x direction, search is +/-xr (Angstroms) "
)
parser.add_option(
"--txs",
type="string",
default="1 1 1 0.5 0.25",
help=
"step size of the translation search in x directions, search is -xr, -xr+ts, 0, xr-ts, xr (Angstroms)"
)
parser.add_option("--delta",
type="string",
default="10 6 4 3 2",
help="angular step of reference projections")
parser.add_option("--an",
type="string",
default="-1",
help="angular neighborhood for local searches")
parser.add_option(
"--maxit",
type="int",
default=30,
help=
"maximum number of iterations performed for each angular step (set to 30) "
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="CTF correction")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio of the data")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version")
#parser.add_option("--fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--apix",
type="float",
default=-1.0,
help="pixel size in Angstroms")
parser.add_option("--dp",
type="float",
default=-1.0,
help="delta z - translation in Angstroms")
parser.add_option("--dphi",
type="float",
default=-1.0,
help="delta phi - rotation in degrees")
parser.add_option("--rmin",
type="float",
default=0.0,
help="minimal radius for hsearch (Angstroms)")
parser.add_option("--rmax",
type="float",
default=80.0,
help="maximal radius for hsearch (Angstroms)")
parser.add_option("--fract",
type="float",
default=0.7,
help="fraction of the volume used for helical search")
parser.add_option("--sym",
type="string",
default="c1",
help="symmetry of the structure")
parser.add_option("--function",
type="string",
default="helical",
help="name of the reference preparation function")
parser.add_option("--npad",
type="int",
default=2,
help="padding size for 3D reconstruction")
parser.add_option("--debug",
action="store_true",
default=False,
help="debug")
parser.add_option("--volalixshift",
action="store_true",
default=False,
help="Use volalixshift refinement")
parser.add_option(
"--searchxshift",
type="float",
default=0.0,
help=
"search range for x-shift determination: +/- searchxshift (Angstroms)")
parser.add_option(
"--nearby",
type="float",
default=6.0,
help=
"neighborhood within which to search for peaks in 1D ccf for x-shift search (Angstroms)"
)
# filinfo
parser.add_option(
"--filinfo",
type="string",
default="",
help=
"Store in an output text file infomration about distribution of filaments in the stack."
)
# diskali
parser.add_option("--diskali",
action="store_true",
default=False,
help="volume alignment")
parser.add_option(
"--zstep",
type="float",
default=1,
help="Step size for translational search along z (Angstroms)")
# helicise
parser.add_option(
"--helicise",
action="store_true",
default=False,
help="helicise input volume and save results to output volume")
parser.add_option(
"--hfsc",
type="string",
default="",
help=
"Generate two lists of image indices used to split segment stack into halves for helical fsc calculation. The lists will be stored in two text files named using file_prefix with '_even' and '_odd' suffixes, respectively."
)
parser.add_option(
"--filament_attr",
type="string",
default="filament",
help="attribute under which filament identification is stored")
parser.add_option(
"--predict_helical",
type="string",
default="",
help="Generate projection parameters consistent with helical symmetry")
# helicise pdb
parser.add_option(
"--helicisepdb",
action="store_true",
default=False,
help="Helicise pdb file and save the result to a new pdb file")
parser.add_option(
"--nrepeats",
type="int",
default=50,
help=
"Number of time the helical symmetry will be applied to the input file"
)
# input options for generating disks
parser.add_option(
"--gendisk",
type="string",
default="",
help="Name of file under which generated disks will be saved to")
parser.add_option("--ref_nx",
type="int",
default=-1,
help="nx=ny volume size")
parser.add_option(
"--ref_nz",
type="int",
default=-1,
help="nz volume size - computed disks will be nx x ny x rise/apix")
parser.add_option(
"--new_pixel_size",
type="float",
default=-1,
help=
"desired pixel size of the output disks. The default is -1, in which case there is no resampling (unless --match_pixel_rise flag is True)."
)
parser.add_option(
"--maxerror",
type="float",
default=0.1,
help=
"proportional to the maximum amount of error to tolerate between (dp/new_pixel_size) and int(dp/new_pixel_size ), where new_pixel_size is the pixel size calculated when the option --match_pixel_rise flag is True."
)
parser.add_option(
"--match_pixel_rise",
action="store_true",
default=False,
help=
"calculate new pixel size such that the rise is approximately integer number of pixels given the new pixel size. This will be the pixel size of the output disks."
)
# get consistency
parser.add_option(
"--consistency",
type="string",
default="",
help="Name of parameters to get consistency statistics for")
parser.add_option("--phithr",
type="float",
default=2.0,
help="phi threshold for consistency check")
parser.add_option("--ythr",
type="float",
default=2.0,
help="y threshold (in Angstroms) for consistency check")
parser.add_option(
"--segthr",
type="int",
default=3,
help="minimum number of segments/filament for consistency check")
# stack disks
parser.add_option(
"--stackdisk",
type="string",
default="",
help="Name of file under which output volume will be saved to.")
parser.add_option("--ref_ny",
type="int",
default=-1,
help="ny of output volume size. Default is ref_nx")
# symmetry search
parser.add_option("--symsearch",
action="store_true",
default=False,
help="Do helical symmetry search.")
parser.add_option(
"--ndp",
type="int",
default=12,
help=
"In symmetrization search, number of delta z steps equals to 2*ndp+1")
parser.add_option(
"--ndphi",
type="int",
default=12,
help=
"In symmetrization search, number of dphi steps equals to 2*ndphi+1")
parser.add_option(
"--dp_step",
type="float",
default=0.1,
help="delta z step for symmetrization [Angstroms] (default 0.1)")
parser.add_option(
"--dphi_step",
type="float",
default=0.1,
help="dphi step for symmetrization [degrees] (default 0.1)")
parser.add_option("--datasym",
type="string",
default="datasym.txt",
help="symdoc")
parser.add_option(
"--symdoc",
type="string",
default="",
help="text file containing helical symmetry parameters dp and dphi")
# filament statistics in the stack
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 1 or len(args) > 5:
print("Various helical reconstruction related functionalities: " +
usage2)
print("Please run '" + progname + " -h' for detailed options")
else:
if len(options.hfsc) > 0:
if len(args) != 1:
print("Incorrect number of parameters")
sys.exit()
from applications import imgstat_hfsc
imgstat_hfsc(args[0], options.hfsc, options.filament_attr)
sys.exit()
elif len(options.filinfo) > 0:
if len(args) != 1:
print("Incorrect number of parameters")
sys.exit()
from EMAN2 import EMUtil
filams = EMUtil.get_all_attributes(args[0], "filament")
ibeg = 0
filcur = filams[0]
n = len(filams)
inf = []
i = 1
while (i <= n):
if (i < n): fis = filams[i]
else: fis = ""
if (fis != filcur):
iend = i - 1
inf.append([ibeg, iend, iend - ibeg + 1, filcur])
ibeg = i
filcur = fis
i += 1
from utilities import write_text_row
write_text_row(inf, options.filinfo)
sys.exit()
if len(options.stackdisk) > 0:
if len(args) != 1:
print("Incorrect number of parameters")
sys.exit()
dpp = (float(options.dp) / options.apix)
rise = int(dpp)
if (abs(float(rise) - dpp) > 1.0e-3):
print(" dpp has to be integer multiplicity of the pixel size")
sys.exit()
from utilities import get_im
v = get_im(args[0])
from applications import stack_disks
ref_ny = options.ref_ny
if ref_ny < 0:
ref_ny = options.ref_nx
sv = stack_disks(v, options.ref_nx, ref_ny, options.ref_nz,
options.dphi, rise)
sv.write_image(options.stackdisk)
sys.exit()
if len(options.consistency) > 0:
if len(args) != 1:
print("Incorrect number of parameters")
sys.exit()
from development import consistency_params
consistency_params(args[0],
options.consistency,
options.dphi,
options.dp,
options.apix,
phithr=options.phithr,
ythr=options.ythr,
THR=options.segthr)
sys.exit()
rminp = int((float(options.rmin) / options.apix) + 0.5)
rmaxp = int((float(options.rmax) / options.apix) + 0.5)
from utilities import get_input_from_string, get_im
xr = get_input_from_string(options.xr)
txs = get_input_from_string(options.txs)
irp = 1
if options.ou < 0: oup = -1
else: oup = int((old_div(options.ou, options.apix)) + 0.5)
xrp = ''
txsp = ''
for i in range(len(xr)):
xrp += " " + str(float(xr[i]) / options.apix)
for i in range(len(txs)):
txsp += " " + str(float(txs[i]) / options.apix)
searchxshiftp = int((old_div(options.searchxshift, options.apix)) +
0.5)
nearbyp = int((old_div(options.nearby, options.apix)) + 0.5)
zstepp = int((old_div(options.zstep, options.apix)) + 0.5)
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
if len(options.predict_helical) > 0:
if len(args) != 1:
print("Incorrect number of parameters")
sys.exit()
if options.dp < 0:
print(
"Helical symmetry paramter rise --dp should not be negative"
)
sys.exit()
from applications import predict_helical_params
predict_helical_params(args[0], options.dp, options.dphi,
options.apix, options.predict_helical)
sys.exit()
if options.helicise:
if len(args) != 2:
print("Incorrect number of parameters")
sys.exit()
if options.dp < 0:
print(
"Helical symmetry paramter rise --dp should not be negative"
)
sys.exit()
from utilities import get_im, sym_vol
vol = get_im(args[0])
vol = sym_vol(vol, options.sym)
hvol = vol.helicise(options.apix, options.dp, options.dphi,
options.fract, rmaxp, rminp)
hvol = sym_vol(hvol, options.sym)
hvol.write_image(args[1])
sys.exit()
if options.helicisepdb:
if len(args) != 2:
print("Incorrect number of parameters")
sys.exit()
if options.dp < 0:
print(
"Helical symmetry paramter rise --dp should not be negative"
)
sys.exit()
from math import cos, sin, radians
from copy import deepcopy
import numpy
from numpy import zeros, dot, float32
dp = options.dp
dphi = options.dphi
nperiod = options.nrepeats
infile = open(args[0], "r")
pall = infile.readlines()
infile.close()
p = []
pos = []
lkl = -1
for i in range(len(pall)):
if ((pall[i])[:4] == 'ATOM'):
if (lkl == -1): lkl = i
p.append(pall[i])
pos.append(i)
n = len(p)
X = zeros((3, len(p)), dtype=float32)
X_new = zeros((3, len(p)), dtype=float32)
for i in range(len(p)):
element = deepcopy(p[i])
X[0, i] = float(element[30:38])
X[1, i] = float(element[38:46])
X[2, i] = float(element[46:54])
pnew = []
for j in range(-nperiod, nperiod + 1):
for i in range(n):
pnew.append(deepcopy(p[i]))
dphi = radians(dphi)
m = zeros((3, 3), dtype=float32)
t = zeros((3, 1), dtype=float32)
m[2][2] = 1.0
t[0, 0] = 0.0
t[1, 0] = 0.0
for j in range(-nperiod, nperiod + 1):
if j != 0:
rd = j * dphi
m[0][0] = cos(rd)
m[0][1] = sin(rd)
m[1][0] = -m[0][1]
m[1][1] = m[0][0]
t[2, 0] = j * dp
X_new = dot(m, X) + t
for i in range(n):
pnew[j * n +
i] = pnew[j * n + i][:30] + "%8.3f" % (float(
X_new[0, i])) + "%8.3f" % (float(
X_new[1, i])) + "%8.3f" % (float(
X_new[2, i])) + pnew[j * n + i][54:]
outfile = open(args[1], "w")
outfile.writelines(pall[0:lkl])
outfile.writelines(pnew)
outfile.writelines("END\n")
outfile.close()
sys.exit()
if options.volalixshift:
if options.maxit > 1:
print(
"Inner iteration for x-shift determinatin is restricted to 1"
)
sys.exit()
if len(args) < 4: mask = None
else: mask = args[3]
from applications import volalixshift_MPI
global_def.BATCH = True
volalixshift_MPI(args[0], args[1], args[2], searchxshiftp,
options.apix, options.dp, options.dphi,
options.fract, rmaxp, rminp, mask, options.maxit,
options.CTF, options.snr, options.sym,
options.function, options.npad, options.debug,
nearbyp)
global_def.BATCH = False
if options.diskali:
#if options.maxit > 1:
# print "Inner iteration for disk alignment is restricted to 1"
# sys.exit()
if len(args) < 4: mask = None
else: mask = args[3]
global_def.BATCH = True
if (options.sym[:1] == "d" or options.sym[:1] == "D"):
from development import diskaliD_MPI
diskaliD_MPI(args[0], args[1], args[2], mask, options.dp,
options.dphi, options.apix, options.function,
zstepp, options.fract, rmaxp, rminp, options.CTF,
options.maxit, options.sym)
else:
from applications import diskali_MPI
diskali_MPI(args[0], args[1], args[2], mask, options.dp,
options.dphi, options.apix, options.function,
zstepp, options.fract, rmaxp, rminp, options.CTF,
options.maxit, options.sym)
global_def.BATCH = False
if options.symsearch:
if len(options.symdoc) < 1:
if options.dp < 0 or options.dphi < 0:
print(
"Enter helical symmetry parameters either using --symdoc or --dp and --dphi"
)
sys.exit()
if options.dp < 0 or options.dphi < 0:
# read helical symmetry parameters from symdoc
from utilities import read_text_row
hparams = read_text_row(options.symdoc)
dp = hparams[0][0]
dphi = hparams[0][1]
else:
dp = options.dp
dphi = options.dphi
from applications import symsearch_MPI
if len(args) < 3:
mask = None
else:
mask = args[2]
global_def.BATCH = True
symsearch_MPI(args[0], args[1], mask, dp, options.ndp,
options.dp_step, dphi, options.ndphi,
options.dphi_step, rminp, rmaxp, options.fract,
options.sym, options.function, options.datasym,
options.apix, options.debug)
global_def.BATCH = False
elif len(options.gendisk) > 0:
from applications import gendisks_MPI
global_def.BATCH = True
if len(args) == 1: mask3d = None
else: mask3d = args[1]
if options.dp < 0:
print(
"Helical symmetry paramter rise --dp must be explictly set!"
)
sys.exit()
gendisks_MPI(args[0], mask3d, options.ref_nx, options.apix,
options.dp, options.dphi, options.fract, rmaxp, rminp,
options.CTF, options.function, options.sym,
options.gendisk, options.maxerror,
options.new_pixel_size, options.match_pixel_rise)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def calculate_volumes_after_rotation_and_save_them(ali3d_options, rviper_iter, masterdir, bdb_stack_location, mpi_rank, mpi_size,
no_of_viper_runs_analyzed_together, no_of_viper_runs_analyzed_together_from_user_options, mpi_comm = -1):
# This function takes into account the case in which there are more processors than images
if mpi_comm == -1:
mpi_comm = MPI_COMM_WORLD
# some arguments are for debugging purposes
mainoutputdir = masterdir + DIR_DELIM + NAME_OF_MAIN_DIR + ("%03d" + DIR_DELIM) %(rviper_iter)
# list_of_projection_indices_used_for_outlier_elimination = map(int, read_text_file(mainoutputdir + DIR_DELIM + "list_of_viper_runs_included_in_outlier_elimination.txt"))
import json; f = open(mainoutputdir + "list_of_viper_runs_included_in_outlier_elimination.json", 'r')
list_of_independent_viper_run_indices_used_for_outlier_elimination = json.load(f); f.close()
if len(list_of_independent_viper_run_indices_used_for_outlier_elimination)==0:
print "Error: len(list_of_independent_viper_run_indices_used_for_outlier_elimination)==0"
mpi_finalize()
sys.exit()
# if this data analysis step was already performed in the past then return
# for future changes make sure that the file checked is the last one to be processed !!!
# if(os.path.exists(mainoutputdir + DIR_DELIM + NAME_OF_RUN_DIR + "%03d"%(no_of_viper_runs_analyzed_together - 1) + DIR_DELIM + "rotated_volume.hdf")):
# check_last_run = max(get_latest_directory_increment_value(mainoutputdir, NAME_OF_RUN_DIR, start_value=0), no_of_viper_runs_analyzed_together_from_user_options)
# if(os.path.exists(mainoutputdir + DIR_DELIM + NAME_OF_RUN_DIR + "%03d"%(check_last_run) + DIR_DELIM + "rotated_volume.hdf")):
# return
# if this data analysis step was already performed in the past then return
for check_run in list_of_independent_viper_run_indices_used_for_outlier_elimination:
if not (os.path.exists(mainoutputdir + DIR_DELIM + NAME_OF_RUN_DIR + "%03d"%(check_run) + DIR_DELIM + "rotated_volume.hdf")):
break
else:
return
partstack = []
# for i1 in range(0,no_of_viper_runs_analyzed_together):
for i1 in list_of_independent_viper_run_indices_used_for_outlier_elimination:
partstack.append(mainoutputdir + NAME_OF_RUN_DIR + "%03d"%(i1) + DIR_DELIM + "rotated_reduced_params.txt")
partids_file_name = mainoutputdir + "this_iteration_index_keep_images.txt"
lpartids = map(int, read_text_file(partids_file_name) )
n_projs = len(lpartids)
if (mpi_size > n_projs):
# if there are more processors than images
working = int(not(mpi_rank < n_projs))
mpi_subcomm = mpi_comm_split(mpi_comm, working, mpi_rank - working*n_projs)
mpi_subsize = mpi_comm_size(mpi_subcomm)
mpi_subrank = mpi_comm_rank(mpi_subcomm)
if (mpi_rank < n_projs):
# for i in xrange(no_of_viper_runs_analyzed_together):
for idx, i in enumerate(list_of_independent_viper_run_indices_used_for_outlier_elimination):
projdata = getindexdata(bdb_stack_location + "_%03d"%(rviper_iter - 1), partids_file_name, partstack[idx], mpi_rank, mpi_subsize)
vol = do_volume(projdata, ali3d_options, 0, mpi_comm = mpi_subcomm)
del projdata
if( mpi_rank == 0):
vol.write_image(mainoutputdir + DIR_DELIM + NAME_OF_RUN_DIR + "%03d"%(i) + DIR_DELIM + "rotated_volume.hdf")
line = strftime("%Y-%m-%d_%H:%M:%S", localtime()) + " => "
print line + "Generated rec_ref_volume_run #%01d \n"%i
del vol
mpi_barrier(mpi_comm)
else:
for idx, i in enumerate(list_of_independent_viper_run_indices_used_for_outlier_elimination):
projdata = getindexdata(bdb_stack_location + "_%03d"%(rviper_iter - 1), partids_file_name, partstack[idx], mpi_rank, mpi_size)
vol = do_volume(projdata, ali3d_options, 0, mpi_comm = mpi_comm)
del projdata
if( mpi_rank == 0):
vol.write_image(mainoutputdir + DIR_DELIM + NAME_OF_RUN_DIR + "%03d"%(i) + DIR_DELIM + "rotated_volume.hdf")
line = strftime("%Y-%m-%d_%H:%M:%S", localtime()) + " => "
print line + "Generated rec_ref_volume_run #%01d"%i
del vol
if( mpi_rank == 0):
# Align all rotated volumes, calculate their average and save as an overall result
from utilities import get_params3D, set_params3D, get_im, model_circle
from statistics import ave_var
from applications import ali_vol
# vls = [None]*no_of_viper_runs_analyzed_together
vls = [None]*len(list_of_independent_viper_run_indices_used_for_outlier_elimination)
# for i in xrange(no_of_viper_runs_analyzed_together):
for idx, i in enumerate(list_of_independent_viper_run_indices_used_for_outlier_elimination):
vls[idx] = get_im(mainoutputdir + DIR_DELIM + NAME_OF_RUN_DIR + "%03d"%(i) + DIR_DELIM + "rotated_volume.hdf")
set_params3D(vls[idx],[0.,0.,0.,0.,0.,0.,0,1.0])
asa,sas = ave_var(vls)
# do the alignment
nx = asa.get_xsize()
radius = nx/2 - .5
st = Util.infomask(asa*asa, model_circle(radius,nx,nx,nx), True)
goal = st[0]
going = True
while(going):
set_params3D(asa,[0.,0.,0.,0.,0.,0.,0,1.0])
# for i in xrange(no_of_viper_runs_analyzed_together):
for idx, i in enumerate(list_of_independent_viper_run_indices_used_for_outlier_elimination):
o = ali_vol(vls[idx],asa,7.0,5.,radius) # range of angles and shifts, maybe should be adjusted
p = get_params3D(o)
del o
set_params3D(vls[idx],p)
asa,sas = ave_var(vls)
st = Util.infomask(asa*asa, model_circle(radius,nx,nx,nx), True)
if(st[0] > goal): goal = st[0]
else: going = False
# over and out
asa.write_image(mainoutputdir + DIR_DELIM + "average_volume.hdf")
sas.write_image(mainoutputdir + DIR_DELIM + "variance_volume.hdf")
return
def main():
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + " prj_stack volume [begin end step] --CTF --npad=ntimes_padding --list=file --group=ID --snr=SNR --sym=symmetry --verbose=(0|1) --xysize --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--CTF",
action="store_true",
default=False,
help="apply CTF correction")
parser.add_option("--snr",
type="float",
default=1.0,
help="Signal-to-Noise Ratio")
parser.add_option("--sym", type="string", default="c1", help="symmetry")
parser.add_option(
"--list",
type="string",
help="file with list of images to be used in the first column")
parser.add_option(
"--group",
type="int",
default=-1,
help=
"perform reconstruction using images for a given group number (group is attribute in the header)"
)
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version ")
parser.add_option("--npad",
type="int",
default=2,
help="number of times padding (default 2)")
parser.add_option("--verbose",
type="int",
default=0,
help="verbose level: 0 no verbose, 1 verbose")
parser.add_option("--xysize",
type="int",
default=-1,
help="user expected size at xy direction")
parser.add_option("--zsize",
type="int",
default=-1,
help="user expected size at z direction")
parser.add_option("--smearstep",
type="float",
default=0.0,
help="Rotational smear step (default 0.0, no smear)")
parser.add_option(
"--interpolation_method",
type="string",
default="4nn",
help="4nn, or tril: nearest neighbor, or trillinear interpolation")
parser.add_option("--niter",
type="int",
default=10,
help="number of iterations for iterative reconstruction")
parser.add_option("--upweighted",
action="store_true",
default=False,
help="apply background noise")
parser.add_option("--compensate",
action="store_true",
default=False,
help="compensate in reconstruction")
parser.add_option("--chunk_id",
type="int",
default=-1,
help="reconstruct both odd and even groups of particles")
parser.add_option("--target_window_size",
type="int",
default=-1,
help=" size of the targeted reconstruction ")
(options, args) = parser.parse_args(arglist[1:])
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if len(args) == 2:
prj_stack = args[0]
vol_stack = args[1]
nimage = EMUtil.get_image_count(prj_stack)
pid_list = list(range(0, nimage))
elif len(args) == 5:
prj_stack = args[0]
vol_stack = args[1]
begin = atoi(args[2])
end = atoi(args[3])
step = atoi(args[4])
pid_list = list(range(begin, end, step))
else:
ERROR("incomplete list of arguments", "recon3d_n", 1)
exit()
if (options.list and options.group > -1):
ERROR("options group and list cannot be used together", "recon3d_n", 1)
sys.exit()
from applications import recons3d_n, recons3d_trl_MPI
global_def.BATCH = True
if options.interpolation_method == "4nn":
recons3d_n(prj_stack, pid_list, vol_stack, options.CTF, options.snr, 1, options.npad,\
options.sym, options.list, options.group, options.verbose, options.MPI,options.xysize, options.zsize, options.smearstep, options.upweighted, options.compensate,options.chunk_id)
elif options.interpolation_method == "tril":
if options.MPI is False:
ERROR(
" trillinear interpolation reconstruction has MPI version only!"
)
sys.exit()
recons3d_trl_MPI(prj_stack, pid_list, vol_stack, options.CTF, options.snr, 1, options.npad,\
options.sym, options.verbose, options.niter, options.compensate, options.target_window_size)
else:
ERROR(
" Wrong interpolation method. The current options are 4nn, and tril. 4nn is the defalut one. "
)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
from logger import Logger, BaseLogger_Files
import user_functions
from optparse import OptionParser, SUPPRESS_HELP
from global_def import SPARXVERSION
from EMAN2 import EMData
main_node = 0
mpi_init(0, [])
mpi_comm = MPI_COMM_WORLD
myid = mpi_comm_rank(MPI_COMM_WORLD)
mpi_size = mpi_comm_size(MPI_COMM_WORLD) # Total number of processes, passed by --np option.
# mpi_barrier(mpi_comm)
# from mpi import mpi_finalize
# mpi_finalize()
# print "mpi finalize"
# from sys import exit
# exit()
progname = os.path.basename(sys.argv[0])
usage = progname + " stack [output_directory] --ir=inner_radius --radius=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translational_search_step --delta=angular_step --an=angular_neighborhood --center=center_type --maxit1=max_iter1 --maxit2=max_iter2 --L2threshold=0.1 --fl --aa --ref_a=S --sym=c1"
usage += """
stack 2D images in a stack file: (default required string)
output_directory: directory name into which the output files will be written. If it does not exist, the directory will be created. If it does exist, the program will continue executing from where it stopped (if it did not already reach the end). The "--use_latest_master_directory" option can be used to choose the most recent directory that starts with "master".
"""
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--radius", type="int", help="radius of the particle: has to be less than < int(nx/2)-1 (default required int)")
parser.add_option("--ir", type="int", default=1, help="inner radius for rotational search: > 0 (default 1)")
parser.add_option("--rs", type="int", default=1, help="step between rings in rotational search: >0 (default 1)")
parser.add_option("--xr", type="string", default='0', help="range for translation search in x direction: search is +/xr in pixels (default '0')")
parser.add_option("--yr", type="string", default='0', help="range for translation search in y direction: if omitted will be set to xr, search is +/yr in pixels (default '0')")
parser.add_option("--ts", type="string", default='1.0', help="step size of the translation search in x-y directions: search is -xr, -xr+ts, 0, xr-ts, xr, can be fractional (default '1.0')")
parser.add_option("--delta", type="string", default='2.0', help="angular step of reference projections: (default '2.0')")
#parser.add_option("--an", type="string", default= "-1", help="angular neighborhood for local searches (phi and theta)")
parser.add_option("--center", type="float", default=-1.0, help="centering of 3D template: average shift method; 0: no centering; 1: center of gravity (default -1.0)")
parser.add_option("--maxit1", type="int", default=400, help="maximum number of iterations performed for the GA part: (default 400)")
parser.add_option("--maxit2", type="int", default=50, help="maximum number of iterations performed for the finishing up part: (default 50)")
parser.add_option("--L2threshold", type="float", default=0.03, help="stopping criterion of GA: given as a maximum relative dispersion of volumes' L2 norms: (default 0.03)")
parser.add_option("--doga", type="float", default=0.1, help="do GA when fraction of orientation changes less than 1.0 degrees is at least doga: (default 0.1)")
parser.add_option("--n_shc_runs", type="int", default=4, help="number of quasi-independent shc runs (same as '--nruns' parameter from sxviper.py): (default 4)")
parser.add_option("--n_rv_runs", type="int", default=10, help="number of rviper iterations: (default 10)")
parser.add_option("--n_v_runs", type="int", default=3, help="number of viper runs for each r_viper cycle: (default 3)")
parser.add_option("--outlier_percentile", type="float", default=95.0, help="percentile above which outliers are removed every rviper iteration: (default 95.0)")
parser.add_option("--iteration_start", type="int", default=0, help="starting iteration for rviper: 0 means go to the most recent one (default 0)")
#parser.add_option("--CTF", action="store_true", default=False, help="NOT IMPLEMENTED Consider CTF correction during the alignment ")
#parser.add_option("--snr", type="float", default= 1.0, help="Signal-to-Noise Ratio of the data (default 1.0)")
parser.add_option("--ref_a", type="string", default='S', help="method for generating the quasi-uniformly distributed projection directions: (default S)")
parser.add_option("--sym", type="string", default='c1', help="point-group symmetry of the structure: (default c1)")
# parser.add_option("--function", type="string", default="ref_ali3d", help="name of the reference preparation function (ref_ali3d by default)")
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--function", type="string", default="ref_ali3d", help=SUPPRESS_HELP)
parser.add_option("--npad", type="int", default=2, help="padding size for 3D reconstruction: (default 2)")
# parser.add_option("--npad", type="int", default= 2, help="padding size for 3D reconstruction (default 2)")
#options introduced for the do_volume function
parser.add_option("--fl", type="float", default=0.25, help="cut-off frequency applied to the template volume: using a hyperbolic tangent low-pass filter (default 0.25)")
parser.add_option("--aa", type="float", default=0.1, help="fall-off of hyperbolic tangent low-pass filter: (default 0.1)")
parser.add_option("--pwreference", type="string", default='', help="text file with a reference power spectrum: (default none)")
parser.add_option("--mask3D", type="string", default=None, help="3D mask file: (default sphere)")
parser.add_option("--moon_elimination", type="string", default='', help="elimination of disconnected pieces: two arguments: mass in KDa and pixel size in px/A separated by comma, no space (default none)")
# used for debugging, help is supressed with SUPPRESS_HELP
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--my_random_seed", type="int", default=123, help = SUPPRESS_HELP)
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--run_get_already_processed_viper_runs", action="store_true", dest="run_get_already_processed_viper_runs", default=False, help = SUPPRESS_HELP)
##### XXXXXXXXXXXXXXXXXXXXXX option does not exist in docs XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
parser.add_option("--use_latest_master_directory", action="store_true", dest="use_latest_master_directory", default=False, help = SUPPRESS_HELP)
parser.add_option("--criterion_name", type="string", default='80th percentile',help="criterion deciding if volumes have a core set of stable projections: '80th percentile', other options:'fastest increase in the last quartile' (default '80th percentile')")
parser.add_option("--outlier_index_threshold_method",type="string", default='discontinuity_in_derivative',help="method that decides which images to keep: discontinuity_in_derivative, other options:percentile, angle_measure (default discontinuity_in_derivative)")
parser.add_option("--angle_threshold", type="int", default=30, help="angle threshold for projection removal if using 'angle_measure': (default 30)")
required_option_list = ['radius']
(options, args) = parser.parse_args(sys.argv[1:])
options.CTF = False
options.snr = 1.0
options.an = -1
if options.moon_elimination == "":
options.moon_elimination = []
else:
options.moon_elimination = map(float, options.moon_elimination.split(","))
# Making sure all required options appeared.
for required_option in required_option_list:
if not options.__dict__[required_option]:
print "\n ==%s== mandatory option is missing.\n"%required_option
print "Please run '" + progname + " -h' for detailed options"
return 1
mpi_barrier(MPI_COMM_WORLD)
if(myid == main_node):
print "****************************************************************"
Util.version()
print "****************************************************************"
sys.stdout.flush()
mpi_barrier(MPI_COMM_WORLD)
# this is just for benefiting from a user friendly parameter name
options.ou = options.radius
my_random_seed = options.my_random_seed
criterion_name = options.criterion_name
outlier_index_threshold_method = options.outlier_index_threshold_method
use_latest_master_directory = options.use_latest_master_directory
iteration_start_default = options.iteration_start
number_of_rrr_viper_runs = options.n_rv_runs
no_of_viper_runs_analyzed_together_from_user_options = options.n_v_runs
no_of_shc_runs_analyzed_together = options.n_shc_runs
outlier_percentile = options.outlier_percentile
angle_threshold = options.angle_threshold
run_get_already_processed_viper_runs = options.run_get_already_processed_viper_runs
get_already_processed_viper_runs(run_get_already_processed_viper_runs)
import random
random.seed(my_random_seed)
if len(args) < 1 or len(args) > 3:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
return 1
# if len(args) > 2:
# ref_vol = get_im(args[2])
# else:
ref_vol = None
# error_status = None
# if myid == 0:
# number_of_images = EMUtil.get_image_count(args[0])
# if mpi_size > number_of_images:
# error_status = ('Number of processes supplied by --np in mpirun needs to be less than or equal to %d (total number of images) ' % number_of_images, getframeinfo(currentframe()))
# if_error_then_all_processes_exit_program(error_status)
bdb_stack_location = ""
masterdir = ""
if len(args) == 2:
masterdir = args[1]
if masterdir[-1] != DIR_DELIM:
masterdir += DIR_DELIM
elif len(args) == 1:
if use_latest_master_directory:
all_dirs = [d for d in os.listdir(".") if os.path.isdir(d)]
import re; r = re.compile("^master.*$")
all_dirs = filter(r.match, all_dirs)
if len(all_dirs)>0:
# all_dirs = max(all_dirs, key=os.path.getctime)
masterdir = max(all_dirs, key=os.path.getmtime)
masterdir += DIR_DELIM
log = Logger(BaseLogger_Files())
error_status = 0
if mpi_size % no_of_shc_runs_analyzed_together != 0:
ERROR('Number of processes needs to be a multiple of the number of quasi-independent runs (shc) within each viper run. '
'Total quasi-independent runs by default are 3, you can change it by specifying '
'--n_shc_runs option (in sxviper this option is called --nruns). Also, to improve communication time it is recommended that '
'the number of processes divided by the number of quasi-independent runs is a power '
'of 2 (e.g. 2, 4, 8 or 16 depending on how many physical cores each node has).', 'sxviper', 1)
error_status = 1
if_error_then_all_processes_exit_program(error_status)
#Create folder for all results or check if there is one created already
if(myid == main_node):
#cmd = "{}".format("Rmycounter ccc")
#cmdexecute(cmd)
if( masterdir == ""):
timestring = strftime("%Y_%m_%d__%H_%M_%S" + DIR_DELIM, localtime())
masterdir = "master"+timestring
if not os.path.exists(masterdir):
cmd = "{} {}".format("mkdir", masterdir)
cmdexecute(cmd)
if ':' in args[0]:
bdb_stack_location = args[0].split(":")[0] + ":" + masterdir + args[0].split(":")[1]
org_stack_location = args[0]
if(not os.path.exists(os.path.join(masterdir,"EMAN2DB" + DIR_DELIM))):
# cmd = "{} {}".format("cp -rp EMAN2DB", masterdir, "EMAN2DB" DIR_DELIM)
# cmdexecute(cmd)
cmd = "{} {} {}".format("e2bdb.py", org_stack_location,"--makevstack=" + bdb_stack_location + "_000")
cmdexecute(cmd)
from applications import header
try:
header(bdb_stack_location + "_000", params='original_image_index', fprint=True)
print "Images were already indexed!"
except KeyError:
print "Indexing images"
header(bdb_stack_location + "_000", params='original_image_index', consecutive=True)
else:
filename = os.path.basename(args[0])
bdb_stack_location = "bdb:" + masterdir + os.path.splitext(filename)[0]
if(not os.path.exists(os.path.join(masterdir,"EMAN2DB" + DIR_DELIM))):
cmd = "{} {} {}".format("sxcpy.py ", args[0], bdb_stack_location + "_000")
cmdexecute(cmd)
from applications import header
try:
header(bdb_stack_location + "_000", params='original_image_index', fprint=True)
print "Images were already indexed!"
except KeyError:
print "Indexing images"
header(bdb_stack_location + "_000", params='original_image_index', consecutive=True)
# send masterdir to all processes
dir_len = len(masterdir)*int(myid == main_node)
dir_len = mpi_bcast(dir_len,1,MPI_INT,0,MPI_COMM_WORLD)[0]
masterdir = mpi_bcast(masterdir,dir_len,MPI_CHAR,main_node,MPI_COMM_WORLD)
masterdir = string.join(masterdir,"")
if masterdir[-1] != DIR_DELIM:
masterdir += DIR_DELIM
global_def.LOGFILE = os.path.join(masterdir, global_def.LOGFILE)
print_program_start_information()
# mpi_barrier(mpi_comm)
# from mpi import mpi_finalize
# mpi_finalize()
# print "mpi finalize"
# from sys import exit
# exit()
# send bdb_stack_location to all processes
dir_len = len(bdb_stack_location)*int(myid == main_node)
dir_len = mpi_bcast(dir_len,1,MPI_INT,0,MPI_COMM_WORLD)[0]
bdb_stack_location = mpi_bcast(bdb_stack_location,dir_len,MPI_CHAR,main_node,MPI_COMM_WORLD)
bdb_stack_location = string.join(bdb_stack_location,"")
iteration_start = get_latest_directory_increment_value(masterdir, "main")
if (myid == main_node):
if (iteration_start < iteration_start_default):
ERROR('Starting iteration provided is greater than last iteration performed. Quiting program', 'sxviper', 1)
error_status = 1
if iteration_start_default!=0:
iteration_start = iteration_start_default
if (myid == main_node):
if (number_of_rrr_viper_runs < iteration_start):
ERROR('Please provide number of rviper runs (--n_rv_runs) greater than number of iterations already performed.', 'sxviper', 1)
error_status = 1
if_error_then_all_processes_exit_program(error_status)
for rviper_iter in range(iteration_start, number_of_rrr_viper_runs + 1):
if(myid == main_node):
all_projs = EMData.read_images(bdb_stack_location + "_%03d"%(rviper_iter - 1))
print "XXXXXXXXXXXXXXXXX"
print "Number of projections (in loop): " + str(len(all_projs))
print "XXXXXXXXXXXXXXXXX"
subset = range(len(all_projs))
else:
all_projs = None
subset = None
runs_iter = get_latest_directory_increment_value(masterdir + NAME_OF_MAIN_DIR + "%03d"%rviper_iter, DIR_DELIM + NAME_OF_RUN_DIR, start_value=0) - 1
no_of_viper_runs_analyzed_together = max(runs_iter + 2, no_of_viper_runs_analyzed_together_from_user_options)
first_time_entering_the_loop_need_to_do_full_check_up = True
while True:
runs_iter += 1
if not first_time_entering_the_loop_need_to_do_full_check_up:
if runs_iter >= no_of_viper_runs_analyzed_together:
break
first_time_entering_the_loop_need_to_do_full_check_up = False
this_run_is_NOT_complete = 0
if (myid == main_node):
independent_run_dir = masterdir + DIR_DELIM + NAME_OF_MAIN_DIR + ('%03d' + DIR_DELIM + NAME_OF_RUN_DIR + "%03d" + DIR_DELIM)%(rviper_iter, runs_iter)
if run_get_already_processed_viper_runs:
cmd = "{} {}".format("mkdir -p", masterdir + DIR_DELIM + NAME_OF_MAIN_DIR + ('%03d' + DIR_DELIM)%(rviper_iter)); cmdexecute(cmd)
cmd = "{} {}".format("rm -rf", independent_run_dir); cmdexecute(cmd)
cmd = "{} {}".format("cp -r", get_already_processed_viper_runs() + " " + independent_run_dir); cmdexecute(cmd)
if os.path.exists(independent_run_dir + "log.txt") and (string_found_in_file("Finish VIPER2", independent_run_dir + "log.txt")):
this_run_is_NOT_complete = 0
else:
this_run_is_NOT_complete = 1
cmd = "{} {}".format("rm -rf", independent_run_dir); cmdexecute(cmd)
cmd = "{} {}".format("mkdir -p", independent_run_dir); cmdexecute(cmd)
this_run_is_NOT_complete = mpi_bcast(this_run_is_NOT_complete,1,MPI_INT,main_node,MPI_COMM_WORLD)[0]
dir_len = len(independent_run_dir)
dir_len = mpi_bcast(dir_len,1,MPI_INT,main_node,MPI_COMM_WORLD)[0]
independent_run_dir = mpi_bcast(independent_run_dir,dir_len,MPI_CHAR,main_node,MPI_COMM_WORLD)
independent_run_dir = string.join(independent_run_dir,"")
else:
this_run_is_NOT_complete = mpi_bcast(this_run_is_NOT_complete,1,MPI_INT,main_node,MPI_COMM_WORLD)[0]
dir_len = 0
independent_run_dir = ""
dir_len = mpi_bcast(dir_len,1,MPI_INT,main_node,MPI_COMM_WORLD)[0]
independent_run_dir = mpi_bcast(independent_run_dir,dir_len,MPI_CHAR,main_node,MPI_COMM_WORLD)
independent_run_dir = string.join(independent_run_dir,"")
if this_run_is_NOT_complete:
mpi_barrier(MPI_COMM_WORLD)
if independent_run_dir[-1] != DIR_DELIM:
independent_run_dir += DIR_DELIM
log.prefix = independent_run_dir
options.user_func = user_functions.factory[options.function]
# for debugging purposes
#if (myid == main_node):
#cmd = "{} {}".format("cp ~/log.txt ", independent_run_dir)
#cmdexecute(cmd)
#cmd = "{} {}{}".format("cp ~/paramdir/params$(mycounter ccc).txt ", independent_run_dir, "param%03d.txt"%runs_iter)
#cmd = "{} {}{}".format("cp ~/paramdir/params$(mycounter ccc).txt ", independent_run_dir, "params.txt")
#cmdexecute(cmd)
if (myid == main_node):
store_value_of_simple_vars_in_json_file(masterdir + 'program_state_stack.json', locals(), exclude_list_of_vars=["usage"],
vars_that_will_show_only_size = ["subset"])
store_value_of_simple_vars_in_json_file(masterdir + 'program_state_stack.json', options.__dict__, write_or_append='a')
# mpi_barrier(mpi_comm)
# from mpi import mpi_finalize
# mpi_finalize()
# print "mpi finalize"
# from sys import exit
# exit()
out_params, out_vol, out_peaks = multi_shc(all_projs, subset, no_of_shc_runs_analyzed_together, options,
mpi_comm=mpi_comm, log=log, ref_vol=ref_vol)
# end of: if this_run_is_NOT_complete:
if runs_iter >= (no_of_viper_runs_analyzed_together_from_user_options - 1):
increment_for_current_iteration = identify_outliers(myid, main_node, rviper_iter,
no_of_viper_runs_analyzed_together, no_of_viper_runs_analyzed_together_from_user_options, masterdir,
bdb_stack_location, outlier_percentile, criterion_name, outlier_index_threshold_method, angle_threshold)
if increment_for_current_iteration == MUST_END_PROGRAM_THIS_ITERATION:
break
no_of_viper_runs_analyzed_together += increment_for_current_iteration
# end of independent viper loop
calculate_volumes_after_rotation_and_save_them(options, rviper_iter, masterdir, bdb_stack_location, myid,
mpi_size, no_of_viper_runs_analyzed_together, no_of_viper_runs_analyzed_together_from_user_options)
if increment_for_current_iteration == MUST_END_PROGRAM_THIS_ITERATION:
if (myid == main_node):
print "RVIPER found a core set of stable projections for the current RVIPER iteration (%d), the maximum angle difference between corresponding projections from different VIPER volumes is less than %.2f. Finishing."%(rviper_iter, ANGLE_ERROR_THRESHOLD)
break
else:
if (myid == main_node):
print "After running the last iteration (%d), RVIPER did not find a set of projections with the maximum angle difference between corresponding projections from different VIPER volumes less than %.2f Finishing."%(rviper_iter, ANGLE_ERROR_THRESHOLD)
# end of RVIPER loop
#mpi_finalize()
#sys.exit()
mpi_barrier(MPI_COMM_WORLD)
mpi_finalize()
def main():
import os
import sys
from optparse import OptionParser
arglist = []
for arg in sys.argv:
arglist.append(arg)
progname = os.path.basename(arglist[0])
usage = progname + """ inputvolume locresvolume maskfile outputfile --radius --falloff --MPI
Locally filer a volume based on local resolution volume (sxlocres.py) within area outlined by the maskfile
"""
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--radius",
type="int",
default=-1,
help=
"if there is no maskfile, sphere with r=radius will be used, by default the radius is nx/2-1"
)
parser.add_option("--falloff",
type="float",
default=0.1,
help="falloff of tanl filter (default 0.1)")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print("See usage " + usage)
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init, mpi_comm_size, mpi_comm_rank, MPI_COMM_WORLD
from mpi import mpi_reduce, mpi_bcast, mpi_barrier, mpi_gatherv, mpi_send, mpi_recv
from mpi import MPI_SUM, MPI_FLOAT, MPI_INT
sys.argv = mpi_init(len(sys.argv), sys.argv)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
main_node = 0
if (myid == main_node):
#print sys.argv
vi = get_im(sys.argv[1])
ui = get_im(sys.argv[2])
#print Util.infomask(ui, None, True)
radius = options.radius
nx = vi.get_xsize()
ny = vi.get_ysize()
nz = vi.get_zsize()
dis = [nx, ny, nz]
else:
falloff = 0.0
radius = 0
dis = [0, 0, 0]
vi = None
ui = None
dis = bcast_list_to_all(dis, myid, source_node=main_node)
if (myid != main_node):
nx = int(dis[0])
ny = int(dis[1])
nz = int(dis[2])
radius = bcast_number_to_all(radius, main_node)
if len(args) == 3:
if (radius == -1): radius = min(nx, ny, nz) // 2 - 1
m = model_circle(radius, nx, ny, nz)
outvol = args[2]
elif len(args) == 4:
if (myid == main_node): m = binarize(get_im(args[2]), 0.5)
else: m = model_blank(nx, ny, nz)
outvol = args[3]
bcast_EMData_to_all(m, myid, main_node)
from filter import filterlocal
filteredvol = filterlocal(ui, vi, m, options.falloff, myid, main_node,
number_of_proc)
if (myid == 0): filteredvol.write_image(outvol)
from mpi import mpi_finalize
mpi_finalize()
else:
vi = get_im(args[0])
ui = get_im(
args[1]
) # resolution volume, values are assumed to be from 0 to 0.5
nn = vi.get_xsize()
falloff = options.falloff
if len(args) == 3:
radius = options.radius
if (radius == -1): radius = nn // 2 - 1
m = model_circle(radius, nn, nn, nn)
outvol = args[2]
elif len(args) == 4:
m = binarize(get_im(args[2]), 0.5)
outvol = args[3]
fftip(vi) # this is the volume to be filtered
# Round all resolution numbers to two digits
for x in xrange(nn):
for y in xrange(nn):
for z in xrange(nn):
ui.set_value_at_fast(x, y, z,
round(ui.get_value_at(x, y, z), 2))
st = Util.infomask(ui, m, True)
filteredvol = model_blank(nn, nn, nn)
cutoff = max(st[2] - 0.01, 0.0)
while (cutoff < st[3]):
cutoff = round(cutoff + 0.01, 2)
pt = Util.infomask(
threshold_outside(ui, cutoff - 0.00501, cutoff + 0.005), m,
True)
if (pt[0] != 0.0):
vovo = fft(filt_tanl(vi, cutoff, falloff))
for x in xrange(nn):
for y in xrange(nn):
for z in xrange(nn):
if (m.get_value_at(x, y, z) > 0.5):
if (round(ui.get_value_at(x, y, z),
2) == cutoff):
filteredvol.set_value_at_fast(
x, y, z, vovo.get_value_at(x, y, z))
filteredvol.write_image(outvol)
def main():
import os
import sys
from optparse import OptionParser
from global_def import SPARXVERSION
import global_def
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + " stack ref_vol outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --ynumber=y_numbers --txs=translational_search_stepx --delta=angular_step --an=angular_neighborhood --center=1 --maxit=max_iter --CTF --snr=1.0 --ref_a=S --sym=c1 --datasym=symdoc --new"
parser = OptionParser(usage,version=SPARXVERSION)
#parser.add_option("--ir", type="float", default= -1, help="inner radius for rotational correlation > 0 (set to 1) (Angstroms)")
parser.add_option("--ou", type="float", default= -1, help="outer radius for rotational 2D correlation < int(nx/2)-1 (set to the radius of the particle) (Angstroms)")
parser.add_option("--rs", type="int", default= 1, help="step between rings in rotational correlation >0 (set to 1)" )
parser.add_option("--xr", type="string", default= " 4 2 1 1 1", help="range for translation search in x direction, search is +/-xr (Angstroms) ")
parser.add_option("--txs", type="string", default= "1 1 1 0.5 0.25", help="step size of the translation search in x directions, search is -xr, -xr+ts, 0, xr-ts, xr (Angstroms)")
parser.add_option("--y_restrict", type="string", default= "-1 -1 -1 -1 -1", help="range for translational search in y-direction, search is +/-y_restrict in Angstroms. This only applies to local search, i.e., when an is not -1. If y_restrict < 0, then for ihrsrlocalcons (option --localcons local search with consistency), the y search range is set such that it is the same ratio to dp as angular search range is to dphi. For regular ihrsr, y search range is the full range when y_restrict< 0. Default is -1.")
parser.add_option("--ynumber", type="string", default= "4 8 16 32 32", help="even number of the translation search in y direction, search is (-dpp/2,-dpp/2+dpp/ny,,..,0,..,dpp/2-dpp/ny dpp/2]")
parser.add_option("--delta", type="string", default= " 10 6 4 3 2", help="angular step of reference projections")
parser.add_option("--an", type="string", default= "-1", help="angular neighborhood for local searches (default -1, meaning do exhaustive search)")
parser.add_option("--maxit", type="int", default= 30, help="maximum number of iterations performed for each angular step (default 30) ")
parser.add_option("--CTF", action="store_true", default=False, help="CTF correction")
parser.add_option("--snr", type="float", default= 1.0, help="Signal-to-Noise Ratio of the data (default 1)")
parser.add_option("--MPI", action="store_true", default=True, help="use MPI version")
#parser.add_option("--fourvar", action="store_true", default=False, help="compute Fourier variance")
parser.add_option("--apix", type="float", default= -1.0, help="pixel size in Angstroms")
parser.add_option("--dp", type="float", default= -1.0, help="delta z - translation in Angstroms")
parser.add_option("--dphi", type="float", default= -1.0, help="delta phi - rotation in degrees")
parser.add_option("--ndp", type="int", default= 12, help="In symmetrization search, number of delta z steps equals to 2*ndp+1")
parser.add_option("--ndphi", type="int", default= 12, help="In symmetrization search,number of dphi steps equas to 2*ndphi+1")
parser.add_option("--dp_step", type="float", default= 0.1, help="delta z (Angstroms) step for symmetrization")
parser.add_option("--dphi_step", type="float", default= 0.1, help="dphi step for symmetrization")
parser.add_option("--psi_max", type="float", default= 10.0, help="maximum psi - how far rotation in plane can can deviate from 90 or 270 degrees (default 10)")
parser.add_option("--rmin", type="float", default= 0.0, help="minimal radius for hsearch (Angstroms)")
parser.add_option("--rmax", type="float", default= 80.0, help="maximal radius for hsearch (Angstroms)")
parser.add_option("--fract", type="float", default= 0.7, help="fraction of the volume used for helical search")
parser.add_option("--sym", type="string", default= "c1", help="symmetry of the structure")
parser.add_option("--function", type="string", default="helical", help="name of the reference preparation function")
parser.add_option("--datasym", type="string", default="datasym.txt", help="symdoc")
parser.add_option("--nise", type="int", default= 200, help="start symmetrization after nise steps (default 200)")
parser.add_option("--npad", type="int", default= 2, help="padding size for 3D reconstruction, (default 2)")
parser.add_option("--debug", action="store_true", default=False, help="debug")
parser.add_option("--new", action="store_true", default=False, help="use rectangular recon and projection version")
parser.add_option("--initial_theta", type="float", default=90.0, help="intial theta for reference projection (default 90)")
parser.add_option("--delta_theta", type="float", default=1.0, help="delta theta for reference projection (default 1.0)")
parser.add_option("--WRAP", type="int", default= 1, help="do helical wrapping (default 1, meaning yes)")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 1 or len(args) > 5:
print "usage: " + usage + "\n"
print "Please run '" + progname + " -h' for detailed options"
else:
# Convert input arguments in the units/format as expected by ihrsr_MPI in applications.
if options.apix < 0:
print "Please enter pixel size"
sys.exit()
rminp = int((float(options.rmin)/options.apix) + 0.5)
rmaxp = int((float(options.rmax)/options.apix) + 0.5)
from utilities import get_input_from_string, get_im
xr = get_input_from_string(options.xr)
txs = get_input_from_string(options.txs)
y_restrict = get_input_from_string(options.y_restrict)
irp = 1
if options.ou < 0: oup = -1
else: oup = int( (options.ou/options.apix) + 0.5)
xrp = ''
txsp = ''
y_restrict2 = ''
for i in xrange(len(xr)):
xrp += " "+str(float(xr[i])/options.apix)
for i in xrange(len(txs)):
txsp += " "+str(float(txs[i])/options.apix)
# now y_restrict has the same format as x search range .... has to change ihrsr accordingly
for i in xrange(len(y_restrict)):
y_restrict2 += " "+str(float(y_restrict[i])/options.apix)
if options.MPI:
from mpi import mpi_init, mpi_finalize
sys.argv = mpi_init(len(sys.argv), sys.argv)
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
from applications import ihrsr
global_def.BATCH = True
if len(args) < 4: mask = None
else: mask = args[3]
ihrsr(args[0], args[1], args[2], mask, irp, oup, options.rs, xrp, options.ynumber, txsp, options.delta, options.initial_theta, options.delta_theta, options.an, options.maxit, options.CTF, options.snr, options.dp, options.ndp, options.dp_step, options.dphi, options.ndphi, options.dphi_step, options.psi_max, rminp, rmaxp, options.fract, options.nise, options.npad,options.sym, options.function, options.datasym, options.apix, options.debug, options.MPI, options.WRAP, y_restrict2)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " out_averages outdir --ou=outer_radius --xr=x_range --ts=translation_step --maxit=max_iteration --CTF --snr=SNR --function=user_function_name --Fourvar --th_err=threshold_cutoff --ali=kind_of_alignment --center=center_type"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--ou",
type="int",
default=-1,
help=
"outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)"
)
parser.add_option(
"--xr",
type="string",
default="4 2",
help="range for translation search in x direction, search is +/xr ")
parser.add_option("--ts",
type="string",
default="2 1",
help="step of translation search in both directions")
parser.add_option(
"--maxit",
type="float",
default=0,
help=
"maximum number of iterations (0 means the maximum iterations is 10, but it will automatically stop should the criterion falls"
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="Consider CTF correction during the alignment ")
parser.add_option("--snr",
type="float",
default=1.0,
help="signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--Fourvar",
action="store_true",
default=False,
help="compute Fourier variance")
parser.add_option("--function",
type="string",
default="ref_ali2d",
help="name of the reference preparation function")
parser.add_option('--Ng', type='int', default=-1, help='Ng')
parser.add_option('--K', type='int', default=-1, help='K')
parser.add_option("--dst", type="float", default=0.0, help="")
parser.add_option(
"--center",
type="float",
default=-1,
help=
"-1.average center method; 0.not centered; 1.phase approximation; 2.cc with Gaussian function; 3.cc with donut-shaped image 4.cc with user-defined reference 5.cc with self-rotated average"
)
parser.add_option("--CUDA",
action="store_true",
default=False,
help=" whether to use CUDA ")
parser.add_option("--GPUID",
type="string",
default="",
help=" ID of GPUs to use")
parser.add_option('--MPI', action='store_true', default=False, help='MPI')
(options, args) = parser.parse_args()
if len(args) != 3:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
global_def.BATCH = True
from development import mref_alignment
mref_alignment(args[0], args[1], args[2], options.ou, options.xr,
options.ts, options.maxit, options.function,
options.snr, options.CTF, options.Fourvar, options.Ng,
options.K, options.dst, options.center, options.CUDA,
options.GPUID, options.MPI)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
arglist = []
i = 0
while i < len(sys.argv):
if sys.argv[i] == "-p4pg":
i = i + 2
elif sys.argv[i] == "-p4wd":
i = i + 2
else:
arglist.append(sys.argv[i])
i = i + 1
progname = os.path.basename(arglist[0])
usage = (
progname
+ " stack ref_vols outdir <mask> --focus=3Dmask --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translational_searching_step "
+ " --delta=angular_step --an=angular_neighborhood --center=1 --nassign=reassignment_number --nrefine=alignment_number --maxit=max_iter --stoprnct=percentage_to_stop "
+ " --debug --fourvar=fourier_variance --CTF --snr=1.0 --ref_a=S --sym=c1 --function=user_function --MPI --kmeans"
)
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option("--focus", type="string", default=None, help="3D mask for focused clustering ")
parser.add_option("--ir", type="int", default=1, help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option(
"--ou",
type="int",
default="-1",
help="outer radius for rotational correlation <nx-1 (set to the radius of the particle)",
)
parser.add_option("--maxit", type="int", default=5, help="maximum number of iteration")
parser.add_option(
"--rs", type="int", default="1", help="step between rings in rotational correlation >0 (set to 1)"
)
parser.add_option(
"--xr", type="string", default="4 2 1 1 1", help="range for translation search in x direction, search is +/-xr "
)
parser.add_option(
"--yr",
type="string",
default="-1",
help="range for translation search in y direction, search is +/-yr (default = same as xr)",
)
parser.add_option(
"--ts",
type="string",
default="0.25",
help="step size of the translation search in both directions direction, search is -xr, -xr+ts, 0, xr-ts, xr ",
)
parser.add_option("--delta", type="string", default="10 6 4 3 2", help="angular step of reference projections")
parser.add_option("--an", type="string", default="-1", help="angular neighborhood for local searches")
parser.add_option(
"--center",
type="int",
default=0,
help="0 - if you do not want the volume to be centered, 1 - center the volume using cog (default=0)",
)
parser.add_option(
"--nassign",
type="int",
default=0,
help="number of reassignment iterations performed for each angular step (set to 3) ",
)
parser.add_option(
"--nrefine",
type="int",
default=1,
help="number of alignment iterations performed for each angular step (set to 1) ",
)
parser.add_option("--CTF", action="store_true", default=False, help="Consider CTF correction during the alignment ")
parser.add_option("--snr", type="float", default=1.0, help="Signal-to-Noise Ratio of the data")
parser.add_option(
"--stoprnct", type="float", default=0.0, help="Minimum percentage of assignment change to stop the program"
)
parser.add_option(
"--ref_a",
type="string",
default="S",
help="method for generating the quasi-uniformly distributed projection directions (default S) ",
)
parser.add_option("--sym", type="string", default="c1", help="symmetry of the structure ")
parser.add_option(
"--function", type="string", default="ref_ali3dm", help="name of the reference preparation function"
)
parser.add_option("--MPI", action="store_true", default=False, help="Use MPI version ")
parser.add_option("--npad", type="int", default=2, help="padding size for 3D reconstruction")
parser.add_option("--debug", action="store_true", default=False, help="debug ")
parser.add_option("--fourvar", action="store_true", default=False, help="compute and use fourier variance")
parser.add_option("--kmeans", action="store_true", default=False, help="use kmeansmref instead of equalmref")
(options, args) = parser.parse_args(arglist[1:])
if len(args) < 3 or len(args) > 4:
print "usage: " + usage
print "Please run '" + progname + " -h' for detailed options"
else:
if len(args) == 3:
maskfile = None
else:
maskfile = args[3]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
global_def.BATCH = True
if options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv), sys.argv)
if options.kmeans:
from applications import Kmref_ali3d_MPI
Kmref_ali3d_MPI(
args[0],
args[1],
args[2],
maskfile,
options.focus,
options.maxit,
options.ir,
options.ou,
options.rs,
options.xr,
options.yr,
options.ts,
options.delta,
options.an,
options.center,
options.nassign,
options.nrefine,
options.CTF,
options.snr,
options.ref_a,
options.sym,
options.function,
options.npad,
options.debug,
options.fourvar,
options.stoprnct,
mpi_comm=None,
log=None,
)
else:
from applications import mref_ali3d_MPI
mref_ali3d_MPI(
args[0],
args[1],
args[2],
maskfile,
options.focus,
options.maxit,
options.ir,
options.ou,
options.rs,
options.xr,
options.yr,
options.ts,
options.delta,
options.an,
options.center,
options.nassign,
options.nrefine,
options.CTF,
options.snr,
options.ref_a,
options.sym,
options.function,
options.npad,
options.debug,
options.fourvar,
options.stoprnct,
mpi_comm=None,
log=None,
)
else:
from applications import mref_ali3d
mref_ali3d(
args[0],
args[1],
args[2],
maskfile,
options.focus,
options.maxit,
options.ir,
options.ou,
options.rs,
options.xr,
options.yr,
options.ts,
options.delta,
options.an,
options.center,
options.nassign,
options.nrefine,
options.CTF,
options.snr,
options.ref_a,
options.sym,
options.function,
options.npad,
options.debug,
options.fourvar,
options.stoprnct,
)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir --ir --ou --delta --dpsi --lf --hf --rand_seed --maxit --debug --noweights --trials --given --first_zero --weights --MPIGA--pcross --pmut --maxgen --MPI --trials"
parser = OptionParser(usage, version = SPARXVERSION)
parser.add_option("--ir", type="float", default=-1, help="Inner radius of particle (set to 1)")
parser.add_option("--ou", type="float", default=-1, help="Outer radius of particle < int(nx/2)-1")
parser.add_option("--delta", type="float", default=5.0, help="Angle step" )
parser.add_option("--dpsi", type="int", default=1, help="Angle accuracy for sinogram (set to 1)")
parser.add_option("--lf", type="float", default=0.0, help="Filter, minimum frequency (set to 0.0)")
parser.add_option("--hf", type="float", default=0.5, help="Filter, maximum frequency (set to 0.5)")
parser.add_option("--given", action="store_true", default=False, help="Start from given projections orientation (set to False, means start with randomize orientations)")
parser.add_option("--rand_seed", type="int", default=-1, help="Random seed of initial orientations (if set to randomly)")
parser.add_option("--maxit", type="int", default=100, help="Maximum number of iterations ")
parser.add_option("--debug", action="store_true", default=False, help="Help to debug")
parser.add_option("--first_zero", action="store_true", default=False, help="Assign the first projection orientation to 0")
parser.add_option("--noweights", action="store_true", default=False, help="Use Voronoi weighting (by default use weights)")
parser.add_option("--MPI", action="store_true", default=False, help="MPI version")
parser.add_option("--trials", type="int", default=1, help="Number of trials for the MPI version")
parser.add_option("--MPIGA", action="store_true", default=False, help="MPI version (Genetic algorithm)")
parser.add_option("--pcross", type="float", default=0.95, help="Cross-over probability (set to 0.95)")
parser.add_option("--pmut", type="float", default=0.05, help="Mutation probability (set to 0.05)")
parser.add_option("--maxgen", type="int", default=10, help="Maximum number of generations (set to 10)")
(options, args) = parser.parse_args()
if len(args) != 2:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
else:
if options.maxit < 1: options.maxit = 1
if options.noweights: weights = False
else: weights = True
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPIGA:
from development import cml2_main_mpi
global_def.BATCH = True
cml2_main_mpi(args[0], args[1], options.ir, options.ou, options.delta, options.dpsi,
options.lf, options.hf, options.rand_seed, options.maxit, options.given, options.first_zero,
weights, options.debug, options.maxgen, options.pcross, options.pmut)
global_def.BATCH = False
elif options.MPI:
from mpi import mpi_init
sys.argv = mpi_init(len(sys.argv),sys.argv)
from applications import cml_find_structure_MPI2
global_def.BATCH = True
cml_find_structure_MPI2(args[0], args[1], options.ir, options.ou, options.delta, options.dpsi,
options.lf, options.hf, options.rand_seed, options.maxit, options.given, options.first_zero,
weights, options.debug, options.trials)
global_def.BATCH = False
else:
from applications import cml_find_structure_main
global_def.BATCH = True
cml_find_structure_main(args[0], args[1], options.ir, options.ou, options.delta, options.dpsi,
options.lf, options.hf, options.rand_seed, options.maxit, options.given, options.first_zero,
weights, options.debug, options.trials)
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
def main():
import os
import sys
from optparse import OptionParser
arglist = []
for arg in sys.argv:
arglist.append( arg )
progname = os.path.basename(arglist[0])
usage = progname + """ firstvolume secondvolume maskfile outputfile --wn --step --cutoff --radius --fsc --MPI
Compute local resolution in real space within area outlined by the maskfile and within regions wn x wn x wn
"""
parser = OptionParser(usage,version=SPARXVERSION)
parser.add_option("--wn", type="int", default=7, help="Size of window within which local real-space FSC is computed (default 7")
parser.add_option("--step", type="float", default= 1.0, help="Shell step in Fourier size in pixels (default 1.0)")
parser.add_option("--cutoff", type="float", default= 0.5, help="resolution cut-off for FSC (default 0.5)")
parser.add_option("--radius", type="int", default=-1, help="if there is no maskfile, sphere with r=radius will be used, by default the radius is nx/2-wn")
parser.add_option("--fsc", type="string", default= None, help="overall FSC curve (might be truncated) (default no curve)")
parser.add_option("--MPI", action="store_true", default=False, help="use MPI version")
(options, args) = parser.parse_args(arglist[1:])
if len(args) <3 or len(args) > 4:
print "See usage " + usage
sys.exit()
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
if options.MPI:
from mpi import mpi_init, mpi_comm_size, mpi_comm_rank, MPI_COMM_WORLD
from mpi import mpi_reduce, mpi_bcast, mpi_barrier, mpi_gatherv, mpi_send, mpi_recv
from mpi import MPI_SUM, MPI_FLOAT, MPI_INT, MPI_TAG_UB
sys.argv = mpi_init(len(sys.argv),sys.argv)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
main_node = 0
cutoff = options.cutoff
nk = int(options.wn)
if(myid == main_node):
#print sys.argv
vi = get_im(sys.argv[1])
ui = get_im(sys.argv[2])
nx = vi.get_xsize()
ny = vi.get_ysize()
nz = vi.get_zsize()
dis = [nx, ny, nz]
else:
dis = [0,0,0,0]
dis = bcast_list_to_all(dis, myid, source_node = main_node)
if(myid != main_node):
nx = int(dis[0])
ny = int(dis[1])
nz = int(dis[2])
vi = model_blank(nx,ny,nz)
ui = model_blank(nx,ny,nz)
if len(args) == 3:
m = model_circle((min(nx,ny,nz)-nk)//2,nx,ny,nz)
outvol = args[2]
elif len(args) == 4:
if(myid == main_node):
m = binarize(get_im(args[2]), 0.5)
else:
m = model_blank(nx, ny, nz)
outvol = args[3]
bcast_EMData_to_all(m, myid, main_node)
from statistics import locres
freqvol, resolut = locres(vi, ui, m, nk, cutoff, options.step, myid, main_node, number_of_proc)
if(myid == 0):
freqvol.write_image(outvol)
if(options.fsc != None): write_text_row(resolut, options.fsc)
from mpi import mpi_finalize
mpi_finalize()
else:
cutoff = options.cutoff
vi = get_im(args[0])
ui = get_im(args[1])
nn = vi.get_xsize()
nk = int(options.wn)
if len(args) == 3:
m = model_circle((nn-nk)//2,nn,nn,nn)
outvol = args[2]
elif len(args) == 4:
m = binarize(get_im(args[2]), 0.5)
outvol = args[3]
mc = model_blank(nn,nn,nn,1.0)-m
vf = fft(vi)
uf = fft(ui)
lp = int(nn/2/options.step+0.5)
step = 0.5/lp
freqvol = model_blank(nn,nn,nn)
resolut = []
for i in xrange(1,lp):
fl = step*i
fh = fl+step
print lp,i,step,fl,fh
v = fft(filt_tophatb( vf, fl, fh))
u = fft(filt_tophatb( uf, fl, fh))
tmp1 = Util.muln_img(v,v)
tmp2 = Util.muln_img(u,u)
do = Util.infomask(square_root(Util.muln_img(tmp1,tmp2)),m,True)[0]
tmp3 = Util.muln_img(u,v)
dp = Util.infomask(tmp3,m,True)[0]
resolut.append([i,(fl+fh)/2.0, dp/do])
tmp1 = Util.box_convolution(tmp1, nk)
tmp2 = Util.box_convolution(tmp2, nk)
tmp3 = Util.box_convolution(tmp3, nk)
Util.mul_img(tmp1,tmp2)
tmp1 = square_root(tmp1)
Util.mul_img(tmp1,m)
Util.add_img(tmp1,mc)
Util.mul_img(tmp3,m)
Util.add_img(tmp3,mc)
Util.div_img(tmp3,tmp1)
Util.mul_img(tmp3,m)
freq=(fl+fh)/2.0
bailout = True
for x in xrange(nn):
for y in xrange(nn):
for z in xrange(nn):
if(m.get_value_at(x,y,z) > 0.5):
if(freqvol.get_value_at(x,y,z) == 0.0):
if(tmp3.get_value_at(x,y,z) < cutoff):
freqvol.set_value_at(x,y,z,freq)
bailout = False
else:
bailout = False
if(bailout): break
freqvol.write_image(outvol)
if(options.fsc != None): write_text_row(resolut, options.fsc)
def main():
progname = os.path.basename(sys.argv[0])
usage = progname + " stack outdir <maskfile> --ir=inner_radius --ou=outer_radius --rs=ring_step --xr=x_range --yr=y_range --ts=translation_step --dst=delta --center=center --maxit=max_iteration --CTF --snr=SNR --Fourvar=Fourier_variance --Ng=group_number --Function=user_function_name --CUDA --GPUID --MPI"
parser = OptionParser(usage, version=SPARXVERSION)
parser.add_option(
"--ir",
type="float",
default=1,
help="inner radius for rotational correlation > 0 (set to 1)")
parser.add_option(
"--ou",
type="float",
default=-1,
help=
"outer radius for rotational correlation < nx/2-1 (set to the radius of the particle)"
)
parser.add_option(
"--rs",
type="float",
default=1,
help="step between rings in rotational correlation > 0 (set to 1)")
parser.add_option(
"--xr",
type="string",
default="4 2 1 1",
help="range for translation search in x direction, search is +/xr ")
parser.add_option(
"--yr",
type="string",
default="-1",
help="range for translation search in y direction, search is +/yr ")
parser.add_option("--ts",
type="string",
default="2 1 0.5 0.25",
help="step of translation search in both directions")
parser.add_option(
"--nomirror",
action="store_true",
default=False,
help="Disable checking mirror orientations of images (default False)")
parser.add_option("--dst", type="float", default=0.0, help="delta")
parser.add_option(
"--center",
type="float",
default=-1,
help=
"-1.average center method; 0.not centered; 1.phase approximation; 2.cc with Gaussian function; 3.cc with donut-shaped image 4.cc with user-defined reference 5.cc with self-rotated average"
)
parser.add_option(
"--maxit",
type="float",
default=0,
help=
"maximum number of iterations (0 means the maximum iterations is 10, but it will automatically stop should the criterion falls"
)
parser.add_option("--CTF",
action="store_true",
default=False,
help="use CTF correction during alignment")
parser.add_option("--snr",
type="float",
default=1.0,
help="signal-to-noise ratio of the data (set to 1.0)")
parser.add_option("--Fourvar",
action="store_true",
default=False,
help="compute Fourier variance")
#parser.add_option("--Ng", type="int", default=-1, help="number of groups in the new CTF filteration")
parser.add_option(
"--function",
type="string",
default="ref_ali2d",
help="name of the reference preparation function (default ref_ali2d)")
#parser.add_option("--CUDA", action="store_true", default=False, help="use CUDA program")
#parser.add_option("--GPUID", type="string", default="", help="ID of GPUs available")
parser.add_option("--MPI",
action="store_true",
default=False,
help="use MPI version ")
parser.add_option(
"--rotational",
action="store_true",
default=False,
help=
"rotational alignment with optional limited in-plane angle, the parameters are: ir, ou, rs, psi_max, mode(F or H), maxit, orient, randomize"
)
parser.add_option("--psi_max", type="float", default=180.0, help="psi_max")
parser.add_option("--mode",
type="string",
default="F",
help="Full or Half rings, default F")
parser.add_option(
"--randomize",
action="store_true",
default=False,
help="randomize initial rotations (suboption of friedel, default False)"
)
parser.add_option(
"--orient",
action="store_true",
default=False,
help=
"orient images such that the average is symmetric about x-axis, for layer lines (suboption of friedel, default False)"
)
parser.add_option(
"--template",
type="string",
default=None,
help=
"2D alignment will be initialized using the template provided (only non-MPI version, default None)"
)
parser.add_option("--random_method",
type="string",
default="",
help="use SHC or SCF (default standard method)")
(options, args) = parser.parse_args()
if len(args) < 2 or len(args) > 3:
print("usage: " + usage)
print("Please run '" + progname + " -h' for detailed options")
elif (options.rotational):
from applications import ali2d_rotationaltop
global_def.BATCH = True
ali2d_rotationaltop(args[1], args[0], options.randomize,
options.orient, options.ir, options.ou, options.rs,
options.psi_max, options.mode, options.maxit)
else:
if args[1] == 'None': outdir = None
else: outdir = args[1]
if len(args) == 2: mask = None
else: mask = args[2]
if global_def.CACHE_DISABLE:
from utilities import disable_bdb_cache
disable_bdb_cache()
global_def.BATCH = True
if options.MPI:
from applications import ali2d_base
from mpi import mpi_init, mpi_comm_size, mpi_comm_rank, MPI_COMM_WORLD
sys.argv = mpi_init(len(sys.argv), sys.argv)
number_of_proc = mpi_comm_size(MPI_COMM_WORLD)
myid = mpi_comm_rank(MPI_COMM_WORLD)
main_node = 0
if (myid == main_node):
import subprocess
from logger import Logger, BaseLogger_Files
# Create output directory
log = Logger(BaseLogger_Files())
log.prefix = os.path.join(outdir)
cmd = "mkdir " + log.prefix
outcome = subprocess.call(cmd, shell=True)
log.prefix += "/"
else:
outcome = 0
log = None
from utilities import bcast_number_to_all
outcome = bcast_number_to_all(outcome, source_node=main_node)
if (outcome == 1):
ERROR(
'Output directory exists, please change the name and restart the program',
"ali2d_MPI", 1, myid)
dummy = ali2d_base(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, \
options.ts, options.nomirror, options.dst, \
options.center, options.maxit, options.CTF, options.snr, options.Fourvar, \
options.function, random_method = options.random_method, log = log, \
number_of_proc = number_of_proc, myid = myid, main_node = main_node, mpi_comm = MPI_COMM_WORLD,\
write_headers = True)
else:
print(" Non-MPI is no more in use, try MPI option, please.")
"""
from applications import ali2d
ali2d(args[0], outdir, mask, options.ir, options.ou, options.rs, options.xr, options.yr, \
options.ts, options.nomirror, options.dst, \
options.center, options.maxit, options.CTF, options.snr, options.Fourvar, \
-1, options.function, False, "", options.MPI, \
options.template, random_method = options.random_method)
"""
global_def.BATCH = False
if options.MPI:
from mpi import mpi_finalize
mpi_finalize()
