#xp = XParam()
#xp.SPOT_RANGE = [2, 12],[44, 54]
#print xp.SPOT_RANGE
#xp.SPOT_RANGE = "2 12", "44 54"
#xp.DATA_RANGE = 8, 8
#xp.INCLUDE_RESOLUTION_RANGE= 70.0, 2.0
#xp.NBX = 3
#xp.NBY = 3
if "-a" in sys.argv:
sys.argv.remove('-a')
xp.update(getProfilRefPar())
xp["JOB"] = "DEFPIX", "INTEGRATE", "CORRECT"
xp["REFINE_INTEGRATE"] = "ORIENTATION", "BEAM", "CELL" #"DISTANCE",
shutil.copyfile("GXPARM.XDS","XPARM.XDS")
if "-i" in sys.argv:
optid = sys.argv.index("-i")
_xds_input = sys.argv[optid+1]
xp.update(xdsInp2Param(inp_str=_xds_input))
sys.argv.remove('-i')
sys.argv.remove(_xds_input)
if "-norun" in sys.argv:
saveLastVersion(LP_names)
sys.exit()
else:
ARGV = sys.argv[1:]
while ARGV:
ARG = ARGV.pop()
xp.update(xdsInp2Param(inp_str=ARG))
run_xds(xp, inp_f="XDS.INP")
saveLastVersion(LP_names)
__date__ = "06-06-2010" __author__ = "Pierre Legrand ([email protected])" __copyright__ = "Copyright (c) 2010 Pierre Legrand" __license__ = "New BSD http://www.opensource.org/licenses/bsd-license.php" import sys import os from xupy import xdsInp2Param if __name__ == '__main__': # run_xds(new_par, inp_f=xinp, out_f=None, directory=None, save=1): inp_f1, inp_f2 = sys.argv[1:3] if inp_f1: # Verify the presence of the specified XDS.INP file if not os.path.isfile(inp_f1): print ">>> ERROR: Can't find file "+inp_f1+" !" sys.exit() xpar1 = xdsInp2Param(inp_name=inp_f1) if inp_f2: # Verify the presence of the specified XDS.INP file if not os.path.isfile(inp_f2): print ">>> ERROR: Can't find file "+inp_f2+" !" sys.exit() xpar2 = xdsInp2Param(inp_name=inp_f2) for k in xpar1.keys(): if k in xpar2.keys(): if xpar1[k] != xpar2[k]: print "%s: %s %s" % (k, xpar1[k], xpar2[k]) #print xpar1.keys()
sys.argv.remove('-a')
xp.update(getProfilRefPar())
xp["JOB"] = "DEFPIX", "INTEGRATE", "CORRECT"
xp["NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA_BETA"] = 15
xp["NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA"] = 15
xp["REFINE_INTEGRATE"] = "ORIENTATION", "BEAM", "CELL" #"DISTANCE",
shutil.copyfile("GXPARM.XDS", "XPARM.XDS")
if "-p" in sys.argv:
sys.argv.remove('-p')
xp.update(getProfilRefPar())
xp["JOB"] = "DEFPIX", "INTEGRATE", "CORRECT"
xp["NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA_BETA"] = 15
xp["NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA"] = 15
xp["REFINE_INTEGRATE"] = "ORIENTATION", "BEAM", "CELL" #"DISTANCE",
if "-i" in sys.argv:
optid = sys.argv.index("-i")
_xds_input = sys.argv[optid + 1]
xp.update(xdsInp2Param(inp_str=_xds_input))
sys.argv.remove('-i')
sys.argv.remove(_xds_input)
if "-norun" in sys.argv:
saveLastVersion(LP_names)
sys.exit()
else:
ARGV = sys.argv[1:]
while ARGV:
ARG = ARGV.pop()
xp.update(xdsInp2Param(inp_str=ARG))
run_xds(xp, inp_f="XDS.INP")
saveLastVersion(LP_names)
__date__ = "06-06-2010" __author__ = "Pierre Legrand ([email protected])" __copyright__ = "Copyright (c) 2010 Pierre Legrand" __license__ = "New BSD http://www.opensource.org/licenses/bsd-license.php" import sys import os from xupy import xdsInp2Param if __name__ == '__main__': # run_xds(new_par, inp_f=xinp, out_f=None, directory=None, save=1): inp_f1, inp_f2 = sys.argv[1:3] if inp_f1: # Verify the presence of the specified XDS.INP file if not os.path.isfile(inp_f1): print ">>> ERROR: Can't find file " + inp_f1 + " !" sys.exit() xpar1 = xdsInp2Param(inp_name=inp_f1) if inp_f2: # Verify the presence of the specified XDS.INP file if not os.path.isfile(inp_f2): print ">>> ERROR: Can't find file " + inp_f2 + " !" sys.exit() xpar2 = xdsInp2Param(inp_name=inp_f2) for k in xpar1.keys(): if k in xpar2.keys(): if xpar1[k] != xpar2[k]: print "%s: %s %s" % (k, xpar1[k], xpar2[k]) #print xpar1.keys()
#print xp.SPOT_RANGE
#xp.SPOT_RANGE = "2 12", "44 54"
#xp.DATA_RANGE = 8, 8
#xp.INCLUDE_RESOLUTION_RANGE= 70.0, 2.0
#xp.NBX = 3
#xp.NBY = 3
#if "-a" in sys.argv:
# sys.argv.remove('-a')
# xp.update(getProfilRefPar())
# xp["JOB"] = "DEFPIX", "INTEGRATE", "CORRECT"
# xp["REFINE_INTEGRATE"] = "ORIENTATION", "BEAM", "CELL" #"DISTANCE",
# shutil.copyfile("GXPARM.XDS","XPARM.XDS")
if "-i" in sys.argv:
optid = sys.argv.index("-i")
_xds_input = sys.argv[optid + 1]
xp.update(xdsInp2Param(inp_str=""))
sys.argv.remove('-i')
sys.argv.remove(_xds_input)
#if "-norun" in sys.argv:
# saveLastVersion(LP_names)
# sys.exit()
ARGV = sys.argv[1:]
while ARGV:
ARG = ARGV.pop()
xp.update(xdsInp2Param(inp_str=ARG))
open("gnuplot.inp").write(
"gnuplot_template" %
(len(STRONG_PIXEL_LIST_1), len(MIN_SPOT_SIZE_LIST_1)))
xp["JOB"] = "COLSPOT", "IDXREF"
for spot_size in MIN_SPOT_SIZE_LIST_1:
#print xp.SPOT_RANGE
#xp.SPOT_RANGE = "2 12", "44 54"
#xp.DATA_RANGE = 8, 8
#xp.INCLUDE_RESOLUTION_RANGE= 70.0, 2.0
#xp.NBX = 3
#xp.NBY = 3
#if "-a" in sys.argv:
# sys.argv.remove('-a')
# xp.update(getProfilRefPar())
# xp["JOB"] = "DEFPIX", "INTEGRATE", "CORRECT"
# xp["REFINE_INTEGRATE"] = "ORIENTATION", "BEAM", "CELL" #"DISTANCE",
# shutil.copyfile("GXPARM.XDS","XPARM.XDS")
if "-i" in sys.argv:
optid = sys.argv.index("-i")
_xds_input = sys.argv[optid+1]
xp.update(xdsInp2Param(inp_str=""))
sys.argv.remove('-i')
sys.argv.remove(_xds_input)
#if "-norun" in sys.argv:
# saveLastVersion(LP_names)
# sys.exit()
ARGV = sys.argv[1:]
while ARGV:
ARG = ARGV.pop()
xp.update(xdsInp2Param(inp_str=ARG))
open("gnuplot.inp").write("gnuplot_template" % (len(STRONG_PIXEL_LIST_1), len(MIN_SPOT_SIZE_LIST_1)))
xp["JOB"] = "COLSPOT", "IDXREF"
for spot_size in MIN_SPOT_SIZE_LIST_1:
for strong_pixel in STRONG_PIXEL_LIST_1:
xp["MINIMUM_NUMBER_OF_PIXELS_IN_A_SPOT"] = spot_size