def integrate_one_character(self,setting,integration_limit):
#from libtbx.development.timers import Profiler
#P = Profiler("Preliminary")
import copy
local = copy.deepcopy(self.process_dictionary)
local['cell']=cellstr(setting)
print("Cell in setting",setting["counter"],local["cell"])
frames = list(sorted(self.spotfinder_results.pd['osc_start'].keys()))
local['maxcel']='0'
local['xbeam']="%f"%setting['minimizer'].new['xbeam']
local['ybeam']="%f"%setting['minimizer'].new['ybeam']
local['distance']="%f"%setting['minimizer'].new['distance']
local["resolution"]= "%f"%integration_limit
from labelit.steps import primaries
local['spacegroup'] = primaries[setting['bravais']]
local['procstart'] = local['procend'] = "%d"%frames[0]
self.pixel_size = float(local['pixel_size'])
from labelit.dptbx import AutoIndexEngine, Parameters
ai = AutoIndexEngine(local['endstation'])
P = Parameters(xbeam=setting["refined x beam"],ybeam=setting["refined y beam"],
distance=setting["refined distance"],twotheta=float(local["twotheta"]))
ai.setBase(P)
ai.setWavelength(float(local['wavelength']))
ai.setMaxcell(float(local['ref_maxcel']))
print("Deltaphi is",float(local['deltaphi']))
ai.setDeltaphi(float(local['deltaphi'])*math.pi/180.)
ai.setMosaicity(setting["mosaicity"])
ai.setOrientation(setting["orient"])
refimage = self.files.images[0]
ai.set_active_areas(self.horizons_phil,
beam=(int(refimage.beamx/refimage.pixel_size),
int(refimage.beamy/refimage.pixel_size)))
image_centers = [(math.pi/180.)*float(x) for x in local["osc_start"].values()]
print("Limiting resolution",integration_limit)
local["results"] = []
for i in range(len(frames)):
print("---------BEGIN Integrate one frame %d %s" % \
(frames[i], os.path.split(self.files.filenames()[i])[-1]))
#P = Profiler("worker")
if self.horizons_phil.integration.combine_sym_constraints_and_3D_target and setting["counter"]>1:
from rstbx.apps.stills.dials_refinement_preceding_integration import integrate_one_frame
integrate_worker = integrate_one_frame(self.triclinic["integration"]["results"][0])
else:
from rstbx.apps.stills.deltapsi_refinement_preceding_integration import integrate_one_frame
integrate_worker = integrate_one_frame()
integrate_worker.inputai = ai
integrate_worker.inputpd = dict(masks=local["masks"],
size1=local["size1"],
size2=local["size2"],
symmetry=setting["best_subsym"])
# carefully select only the data items needed for integrate_worker
# avoid giving the whole process dictionary; reference to "local"
# is a circular reference creating memory leak, while copying the
# whole thing is a big performance hit.
integrate_worker.frame_numbers = frames
integrate_worker.imagefiles = self.files
integrate_worker.spotfinder = self.spotfinder_results
integrate_worker.image_centers = image_centers
integrate_worker.limiting_resolution = integration_limit
integrate_worker.setting_id = setting["counter"]
integrate_worker.pixel_size = self.pixel_size
integrate_worker.set_pixel_size(self.pixel_size)
integrate_worker.set_detector_size(int(local["size1"]),int(local["size2"]))
integrate_worker.set_detector_saturation(refimage.saturation)
integrate_worker.set_up_mask_focus()
integrate_worker.initialize_increments(i)
integrate_worker.horizons_phil = self.horizons_phil
if self.horizons_phil.indexing.verbose_cv:
print("EFFECTIVE TILING"," ".join(
["%d"%z for z in refimage.get_tile_manager(self.horizons_phil).effective_tiling_as_flex_int()]))
integrate_worker.integration_concept(image_number = i,
cb_op_to_primitive = setting["cb_op_inp_best"].inverse(),
verbose_cv = self.horizons_phil.indexing.verbose_cv,
background_factor = self.horizons_phil.integration.background_factor,
)
#P = Profiler("proper")
integrate_worker.integration_proper()
local["results"].append(integrate_worker)
local["r_xbeam"]=ai.xbeam()
local["r_ybeam"]=ai.ybeam()
local["r_distance"]=ai.distance()
local["r_wavelength"]=ai.wavelength
local["r_residual"]=integrate_worker.r_residual
local["r_mosaicity"]=setting["mosaicity"]
try:
local["ewald_proximal_volume"]=integrate_worker.ewald_proximal_volume
except Exception as e:
local["ewald_proximal_volume"]=None
if (self.horizons_phil.indexing.open_wx_viewer):
if True: #use updated slip viewer
try:
import wx
from rstbx.slip_viewer.frame import XrayFrame as SlipXrayFrame
from rstbx.command_line.slip_viewer import master_str as slip_params
from iotbx import phil
from spotfinder import phil_str
from spotfinder.command_line.signal_strength import additional_spotfinder_phil_defs
work_phil = phil.process_command_line("",master_string=slip_params + phil_str + additional_spotfinder_phil_defs)
work_params = work_phil.work.extract()
app = wx.App(0)
wx.SystemOptions.SetOption("osx.openfiledialog.always-show-types", "1")
frame = SlipXrayFrame(None, -1, "X-ray image display", size=(800,720))
frame.Show()
# Update initial settings with values from the command line. Needs
# to be done before image is loaded (but after the frame is
# instantiated).
frame.inherited_params = integrate_worker.horizons_phil
frame.params = work_params
if (frame.pyslip is None):
frame.init_pyslip()
if (frame.settings_frame is None):
frame.OnShowSettings(None)
frame.Layout()
frame.pyslip.tiles.user_requests_antialiasing = work_params.anti_aliasing
frame.settings_frame.panel.center_ctrl.SetValue(True)
frame.settings_frame.panel.integ_ctrl.SetValue(True)
frame.settings_frame.panel.spots_ctrl.SetValue(False)
frame.settings.show_effective_tiling = work_params.show_effective_tiling
frame.settings_frame.panel.collect_values()
paths = work_phil.remaining_args
frame.user_callback = integrate_worker.slip_callback
frame.load_image(self.files.filenames()[i])
app.MainLoop()
del app
except Exception:
pass # must use phenix.wxpython for wx display
elif False : #original wx viewer
try:
from rstbx.viewer.frame import XrayFrame
import wx
from rstbx.viewer import display
display.user_callback = integrate_worker.user_callback
app = wx.App(0)
frame = XrayFrame(None, -1, "X-ray image display", size=(1200,1080))
frame.settings.show_spotfinder_spots = False
frame.settings.show_integration = False
#frame.settings.enable_collect_values = False
frame.SetSize((1024,780))
frame.load_image(self.files.filenames()[i])
frame.Show()
app.MainLoop()
del app
except Exception:
pass # must use phenix.wxpython for wx display
# for the wx image viewer
filename = self.horizons_phil.indexing.indexing_pickle
if filename != None:
filename = "%s_%d_%d.pkl"%(filename,setting["counter"],keys[i])
SIO = StringIO()
table_raw = show_observations(integrate_worker.get_obs(
local["spacegroup"]),out=SIO)
limitobject = ResolutionAnalysisMetaClass(local, self.horizons_phil)
info = dict(table = SIO.getvalue(),
table_raw = table_raw,
xbeam = setting["refined x beam"],
ybeam = setting["refined y beam"],
distance = setting["refined distance"],
residual = integrate_worker.r_residual,
resolution = limitobject.value, # FIXME not reliable?
mosaicity = setting["mosaicity"],
pointgroup = local["spacegroup"],
hkllist = integrate_worker.hkllist,
predictions = (1./integrate_worker.pixel_size)*integrate_worker.predicted,
mapped_predictions = integrate_worker.detector_xy,
integration_masks_xy = integrate_worker.integration_masks_as_xy_tuples(),
background_masks_xy = integrate_worker.background_masks_as_xy_tuples()
)
assert info["predictions"].size() >= info["mapped_predictions"].size()
assert info["predictions"].size() == info["hkllist"].size()
G = open(filename,"wb")
pickle.dump(info,G,pickle.HIGHEST_PROTOCOL)
print("---------END Integrate one frame",frames[i])
return local
def run(argv=None):
if (argv is None):
argv = sys.argv
# XXX Could/should handle effective metrology the same way, except
# it does not have a single scope.
work_phil = phil.process_command_line(args=argv[1:],
master_string=master_str + phil_str +
additional_spotfinder_phil_defs)
work_params = work_phil.work.extract()
app = wx.App(0)
wx.SystemOptions.SetOptionInt("osx.openfiledialog.always-show-types", 1)
frame = XrayFrame(None, -1, "X-ray image display", size=(800, 720))
frame.Show()
# show settings panel
frame.OnShowSettings(None)
frame.settings_frame.panel.center_ctrl.SetValue(work_params.beam_center)
frame.settings_frame.panel.integ_ctrl.SetValue(
work_params.show_integration_results)
frame.settings_frame.panel.spots_ctrl.SetValue(
work_params.show_spotfinder_results)
frame.settings.show_effective_tiling = work_params.show_effective_tiling
frame.settings_frame.panel.collect_values()
if (work_params.effective_metrology is not None):
from xfel.cftbx.detector.metrology import \
master_phil, metrology_as_transformation_matrices
stream = open(work_params.effective_metrology)
metrology_phil = master_phil.fetch(sources=[phil.parse(stream.read())])
stream.close()
frame.metrology_matrices = metrology_as_transformation_matrices(
metrology_phil.extract())
# Update initial settings with values from the command line. Needs
# to be done before image is loaded (but after the frame is
# instantiated).
frame.params = work_params
frame.init_pyslip()
frame.pyslip.tiles.user_requests_antialiasing = work_params.anti_aliasing
frame.pyslip.tiles.show_untrusted = frame.params.show_untrusted
paths = work_phil.remaining_args
if (len(paths) == 1 and os.path.basename(paths[0]) == "DISTL_pickle"):
assert os.path.isfile(paths[0])
frame.load_distl_output(paths[0])
elif (len(paths) > 0):
frame.CHOOSER_SIZE = 1500
# from dxtbx.imageset import ImageSetFactory
# sets = ImageSetFactory.new(paths)
from dxtbx.model.experiment_list import ExperimentListFactory
from rstbx.slip_viewer.frame import chooser_wrapper
experiments = ExperimentListFactory.from_filenames(paths)
sets = experiments.imagesets()
for imgset in sets:
for idx in imgset.indices():
frame.add_file_name_or_data(chooser_wrapper(imgset, idx))
idx = sets[0].indices()[0]
frame.load_image(chooser_wrapper(sets[0], idx))
app.MainLoop()
return 0
def integrate_one_character(self,setting,integration_limit):
#from libtbx.development.timers import Profiler
#P = Profiler("Preliminary")
import copy
local = copy.deepcopy(self.process_dictionary)
local['cell']=cellstr(setting)
print "Cell in setting",setting["counter"],local["cell"]
frames = self.spotfinder_results.pd['osc_start'].keys()
frames.sort()
local['maxcel']='0'
local['xbeam']="%f"%setting['minimizer'].new['xbeam']
local['ybeam']="%f"%setting['minimizer'].new['ybeam']
local['distance']="%f"%setting['minimizer'].new['distance']
local["resolution"]= "%f"%integration_limit
from labelit.steps import primaries
local['spacegroup'] = primaries[setting['bravais']]
local['procstart'] = local['procend'] = "%d"%frames[0]
self.pixel_size = float(local['pixel_size'])
from labelit.dptbx import AutoIndexEngine, Parameters
ai = AutoIndexEngine(local['endstation'])
P = Parameters(xbeam=setting["refined x beam"],ybeam=setting["refined y beam"],
distance=setting["refined distance"],twotheta=float(local["twotheta"]))
ai.setBase(P)
ai.setWavelength(float(local['wavelength']))
ai.setMaxcell(float(local['ref_maxcel']))
print "Deltaphi is",float(local['deltaphi'])
ai.setDeltaphi(float(local['deltaphi'])*math.pi/180.)
ai.setMosaicity(setting["mosaicity"])
ai.setOrientation(setting["orient"])
refimage = self.files.images[0]
ai.set_active_areas(self.horizons_phil,
beam=(int(refimage.beamx/refimage.pixel_size),
int(refimage.beamy/refimage.pixel_size)))
image_centers = [(math.pi/180.)*float(x) for x in local["osc_start"].values()]
print "Limiting resolution",integration_limit
local["results"] = []
for i in xrange(len(frames)):
print "---------BEGIN Integrate one frame %d %s" % \
(frames[i], os.path.split(self.files.filenames()[i])[-1])
#P = Profiler("worker")
if self.horizons_phil.integration.combine_sym_constraints_and_3D_target and setting["counter"]>1:
from rstbx.apps.stills.dials_refinement_preceding_integration import integrate_one_frame
integrate_worker = integrate_one_frame(self.triclinic["integration"]["results"][0])
else:
from rstbx.apps.stills.deltapsi_refinement_preceding_integration import integrate_one_frame
integrate_worker = integrate_one_frame()
integrate_worker.inputai = ai
integrate_worker.inputpd = dict(masks=local["masks"],
size1=local["size1"],
size2=local["size2"],
symmetry=setting["best_subsym"])
# carefully select only the data items needed for integrate_worker
# avoid giving the whole process dictionary; reference to "local"
# is a circular reference creating memory leak, while copying the
# whole thing is a big performance hit.
integrate_worker.frame_numbers = frames
integrate_worker.imagefiles = self.files
integrate_worker.spotfinder = self.spotfinder_results
integrate_worker.image_centers = image_centers
integrate_worker.limiting_resolution = integration_limit
integrate_worker.setting_id = setting["counter"]
integrate_worker.pixel_size = self.pixel_size
integrate_worker.set_pixel_size(self.pixel_size)
integrate_worker.set_detector_size(int(local["size1"]),int(local["size2"]))
integrate_worker.set_detector_saturation(refimage.saturation)
integrate_worker.set_up_mask_focus()
integrate_worker.initialize_increments(i)
integrate_worker.horizons_phil = self.horizons_phil
if self.horizons_phil.indexing.verbose_cv:
print "EFFECTIVE TILING"," ".join(
["%d"%z for z in refimage.get_tile_manager(self.horizons_phil).effective_tiling_as_flex_int()])
integrate_worker.integration_concept(image_number = i,
cb_op_to_primitive = setting["cb_op_inp_best"].inverse(),
verbose_cv = self.horizons_phil.indexing.verbose_cv,
background_factor = self.horizons_phil.integration.background_factor,
)
#P = Profiler("proper")
integrate_worker.integration_proper()
local["results"].append(integrate_worker)
local["r_xbeam"]=ai.xbeam()
local["r_ybeam"]=ai.ybeam()
local["r_distance"]=ai.distance()
local["r_wavelength"]=ai.wavelength
local["r_residual"]=integrate_worker.r_residual
local["r_mosaicity"]=setting["mosaicity"]
try:
local["ewald_proximal_volume"]=integrate_worker.ewald_proximal_volume
except Exception, e:
local["ewald_proximal_volume"]=None
if (self.horizons_phil.indexing.open_wx_viewer) :
if True: #use updated slip viewer
try:
import wx
from rstbx.slip_viewer.frame import XrayFrame as SlipXrayFrame
from rstbx.command_line.slip_viewer import master_str as slip_params
from iotbx import phil
from spotfinder import phil_str
from spotfinder.command_line.signal_strength import additional_spotfinder_phil_defs
work_phil = phil.process_command_line("",master_string=slip_params + phil_str + additional_spotfinder_phil_defs)
work_params = work_phil.work.extract()
app = wx.App(0)
wx.SystemOptions.SetOptionInt("osx.openfiledialog.always-show-types", 1)
frame = SlipXrayFrame(None, -1, "X-ray image display", size=(800,720))
frame.Show()
# Update initial settings with values from the command line. Needs
# to be done before image is loaded (but after the frame is
# instantiated).
frame.inherited_params = integrate_worker.horizons_phil
frame.params = work_params
if (frame.pyslip is None):
frame.init_pyslip()
if (frame.settings_frame is None):
frame.OnShowSettings(None)
frame.Layout()
frame.pyslip.tiles.user_requests_antialiasing = work_params.anti_aliasing
frame.settings_frame.panel.center_ctrl.SetValue(True)
frame.settings_frame.panel.integ_ctrl.SetValue(True)
frame.settings_frame.panel.spots_ctrl.SetValue(False)
frame.settings.show_effective_tiling = work_params.show_effective_tiling
frame.settings_frame.panel.collect_values()
paths = work_phil.remaining_args
frame.user_callback = integrate_worker.slip_callback
frame.load_image(self.files.filenames()[i])
app.MainLoop()
del app
except Exception:
pass # must use phenix.wxpython for wx display
elif False : #original wx viewer
try:
from rstbx.viewer.frame import XrayFrame
import wx
from rstbx.viewer import display
display.user_callback = integrate_worker.user_callback
app = wx.App(0)
frame = XrayFrame(None, -1, "X-ray image display", size=(1200,1080))
frame.settings.show_spotfinder_spots = False
frame.settings.show_integration = False
#frame.settings.enable_collect_values = False
frame.SetSize((1024,780))
frame.load_image(self.files.filenames()[i])
frame.Show()
app.MainLoop()
del app
except Exception:
pass # must use phenix.wxpython for wx display
# for the wx image viewer
filename = self.horizons_phil.indexing.indexing_pickle
if filename != None:
filename = "%s_%d_%d.pkl"%(filename,setting["counter"],keys[i])
SIO = StringIO.StringIO()
table_raw = show_observations(integrate_worker.get_obs(
local["spacegroup"]),out=SIO)
limitobject = ResolutionAnalysisMetaClass(local, self.horizons_phil)
info = dict(table = SIO.getvalue(),
table_raw = table_raw,
xbeam = setting["refined x beam"],
ybeam = setting["refined y beam"],
distance = setting["refined distance"],
residual = integrate_worker.r_residual,
resolution = limitobject.value, # FIXME not reliable?
mosaicity = setting["mosaicity"],
pointgroup = local["spacegroup"],
hkllist = integrate_worker.hkllist,
predictions = (1./integrate_worker.pixel_size)*integrate_worker.predicted,
mapped_predictions = integrate_worker.detector_xy,
integration_masks_xy = integrate_worker.integration_masks_as_xy_tuples(),
background_masks_xy = integrate_worker.background_masks_as_xy_tuples()
)
assert info["predictions"].size() >= info["mapped_predictions"].size()
assert info["predictions"].size() == info["hkllist"].size()
G = open(filename,"wb")
pickle.dump(info,G,pickle.HIGHEST_PROTOCOL)
print "---------END Integrate one frame",frames[i]
def run(argv=None):
if (argv is None):
argv = sys.argv
# XXX Could/should handle effective metrology the same way, except
# it does not have a single scope.
work_phil = phil.process_command_line(
args=argv[1:],
master_string=master_str + phil_str + additional_spotfinder_phil_defs)
work_params = work_phil.work.extract()
app = wx.App(0)
wx.SystemOptions.SetOptionInt("osx.openfiledialog.always-show-types", 1)
frame = XrayFrame(None, -1, "X-ray image display", size=(800,720))
frame.Show()
# show settings panel
frame.OnShowSettings(None)
frame.settings_frame.panel.center_ctrl.SetValue(
work_params.beam_center)
frame.settings_frame.panel.integ_ctrl.SetValue(
work_params.show_integration_results)
frame.settings_frame.panel.spots_ctrl.SetValue(
work_params.show_spotfinder_results)
frame.settings.show_effective_tiling = work_params.show_effective_tiling
frame.settings_frame.panel.collect_values()
if (work_params.effective_metrology is not None):
from xfel.cftbx.detector.metrology import \
master_phil, metrology_as_transformation_matrices
stream = open(work_params.effective_metrology)
metrology_phil = master_phil.fetch(sources=[phil.parse(stream.read())])
stream.close()
frame.metrology_matrices = metrology_as_transformation_matrices(
metrology_phil.extract())
# Update initial settings with values from the command line. Needs
# to be done before image is loaded (but after the frame is
# instantiated).
frame.params = work_params
frame.init_pyslip()
frame.pyslip.tiles.user_requests_antialiasing = work_params.anti_aliasing
frame.pyslip.tiles.show_untrusted = frame.params.show_untrusted
paths = work_phil.remaining_args
if (len(paths) == 1 and os.path.basename(paths[0]) == "DISTL_pickle"):
assert os.path.isfile(paths[0])
frame.load_distl_output(paths[0])
elif (len(paths) > 0):
frame.CHOOSER_SIZE = 1500
from dxtbx.imageset import ImageSetFactory
from rstbx.slip_viewer.frame import chooser_wrapper
sets = ImageSetFactory.new(paths)
for imgset in sets:
for idx in imgset.indices():
frame.add_file_name_or_data(chooser_wrapper(imgset, idx))
idx = sets[0].indices()[0]
frame.load_image(chooser_wrapper(sets[0],idx))
app.MainLoop()
return 0