def process(self, _edObject = None):
EDPluginControl.process(self)
self.DEBUG("EDPluginControlAutoproc.process")
EDVerbose.DEBUG('first run w/ anom')
self.xds_anom.executeSynchronous()
if self.xds_anom.isFailure():
EDVerbose.ERROR('xds failed when generating w/ anom')
self.setFailure()
return
#Now backup the file
mydir = os.path.abspath(self.getWorkingDirectory())
xds_run_directory= self.xds_anom.getWorkingDirectory()
xds_output = os.path.join(xds_run_directory, 'XDS_ASCII.HKL')
output_anom = os.path.join(mydir, 'XDS_ANOM.HKL')
copyfile(xds_output, output_anom)
# since the original get_xds_stats uses the CORRECT.LP file we
# need to backup it as well
correct_lp = os.path.join(xds_run_directory, 'CORRECT.LP')
correct_lp_anom = os.path.join(mydir, 'CORRECT_ANOM.LP')
copyfile(correct_lp, correct_lp_anom)
# now the second run, generate w/out anom
EDVerbose.DEBUG('second run w/out anom')
self.xds_noanom.executeSynchronous()
if self.xds_noanom.isFailure():
EDVerbose.ERROR('xds failed when generating w/out anom')
self.setFailure()
return
#Now backup the file
xds_run_directory= self.xds_anom.getWorkingDirectory()
xds_output = os.path.join(xds_run_directory, 'XDS_ASCII.HKL')
output_noanom = os.path.join(mydir, 'XDS_NOANOM.HKL')
copyfile(xds_output, output_noanom)
# since the original get_xds_stats uses the CORRECT.LP file we
# need to backup it as well
correct_lp = os.path.join(xds_run_directory, 'CORRECT.LP')
correct_lp_noanom = os.path.join(mydir, 'CORRECT_NOANOM.LP')
copyfile(correct_lp, correct_lp_noanom)
# everything went fine
data_output = XSDataXdsGenerateOutput()
data_output.hkl_anom = XSDataString(output_anom)
data_output.hkl_no_anom = XSDataString(output_noanom)
data_output.correct_lp_no_anom = XSDataString(correct_lp_noanom)
data_output.correct_lp_anom = XSDataString(correct_lp_anom)
self.dataOutput = data_output
def process(self, _edObject=None):
EDPluginControl.process(self)
self.DEBUG("EDPluginControlAutoproc.process")
EDVerbose.DEBUG('first run w/ anom')
self.xds_anom.executeSynchronous()
if self.xds_anom.isFailure():
EDVerbose.ERROR('xds failed when generating w/ anom')
self.setFailure()
return
#Now backup the file
mydir = os.path.abspath(self.getWorkingDirectory())
xds_run_directory = self.xds_anom.getWorkingDirectory()
xds_output = os.path.join(xds_run_directory, 'XDS_ASCII.HKL')
output_anom = os.path.join(mydir, 'XDS_ANOM.HKL')
copyfile(xds_output, output_anom)
# since the original get_xds_stats uses the CORRECT.LP file we
# need to backup it as well
correct_lp = os.path.join(xds_run_directory, 'CORRECT.LP')
correct_lp_anom = os.path.join(mydir, 'CORRECT_ANOM.LP')
copyfile(correct_lp, correct_lp_anom)
# now the second run, generate w/out anom
EDVerbose.DEBUG('second run w/out anom')
self.xds_noanom.executeSynchronous()
if self.xds_noanom.isFailure():
EDVerbose.ERROR('xds failed when generating w/out anom')
self.setFailure()
return
#Now backup the file
xds_run_directory = self.xds_anom.getWorkingDirectory()
xds_output = os.path.join(xds_run_directory, 'XDS_ASCII.HKL')
output_noanom = os.path.join(mydir, 'XDS_NOANOM.HKL')
copyfile(xds_output, output_noanom)
# since the original get_xds_stats uses the CORRECT.LP file we
# need to backup it as well
correct_lp = os.path.join(xds_run_directory, 'CORRECT.LP')
correct_lp_noanom = os.path.join(mydir, 'CORRECT_NOANOM.LP')
copyfile(correct_lp, correct_lp_noanom)
# everything went fine
data_output = XSDataXdsGenerateOutput()
data_output.hkl_anom = XSDataString(output_anom)
data_output.hkl_no_anom = XSDataString(output_noanom)
data_output.correct_lp_no_anom = XSDataString(correct_lp_noanom)
data_output.correct_lp_anom = XSDataString(correct_lp_anom)
self.dataOutput = data_output
def process(self, _edObject = None):
EDPluginControl.process(self)
self.DEBUG("EDPluginControlAutoproc.process")
EDVerbose.DEBUG('first run w/ anom')
self.xds_anom.executeSynchronous()
if self.xds_anom.isFailure():
EDVerbose.ERROR('xds failed when generating w/ anom')
self.setFailure()
return
#Now backup the file
mydir = os.path.abspath(self.getWorkingDirectory())
xds_run_directory= self.xds_anom.getWorkingDirectory()
xds_output = os.path.join(xds_run_directory, 'XDS_ASCII.HKL')
output_anom = os.path.join(mydir, 'XDS_ANOM.HKL')
copyfile(xds_output, output_anom)
# since the original get_xds_stats uses the CORRECT.LP file we
# need to backup it as well
correct_lp = os.path.join(xds_run_directory, 'CORRECT.LP')
correct_lp_anom = os.path.join(mydir, 'CORRECT_ANOM.LP')
copyfile(correct_lp, correct_lp_anom)
# Integrate.HKL as well
integrate_hkl = os.path.join(xds_run_directory, 'INTEGRATE.HKL')
integrate_hkl_anom = os.path.join(mydir, 'INTEGRATE_ANOM.HKL')
copyfile(integrate_hkl, integrate_hkl_anom)
# now the second run, generate w/out anom
EDVerbose.DEBUG('second run w/out anom')
self.xds_noanom.executeSynchronous()
if self.xds_noanom.isFailure():
EDVerbose.ERROR('xds failed when generating w/out anom')
self.setFailure()
return
#Now backup the file
xds_run_directory= self.xds_noanom.getWorkingDirectory()
xds_output = os.path.join(xds_run_directory, 'XDS_ASCII.HKL')
output_noanom = os.path.join(mydir, 'XDS_NOANOM.HKL')
copyfile(xds_output, output_noanom)
# since the original get_xds_stats uses the CORRECT.LP file we
# need to backup it as well
correct_lp = os.path.join(xds_run_directory, 'CORRECT.LP')
correct_lp_noanom = os.path.join(mydir, 'CORRECT_NOANOM.LP')
copyfile(correct_lp, correct_lp_noanom)
# Integrate.HKL as well
integrate_hkl = os.path.join(xds_run_directory, 'INTEGRATE.HKL')
integrate_hkl_noanom = os.path.join(mydir, 'INTEGRATE_NOANOM.HKL')
copyfile(integrate_hkl, integrate_hkl_noanom)
gxparm = os.path.join(xds_run_directory, 'GXPARM.XDS')
# everything went fine
data_output = XSDataXdsGenerateOutput()
data_output.hkl_anom = XSDataString(output_anom)
data_output.hkl_no_anom = XSDataString(output_noanom)
data_output.correct_lp_no_anom = XSDataString(correct_lp_noanom)
data_output.correct_lp_anom = XSDataString(correct_lp_anom)
data_output.integrate_anom = XSDataString(integrate_hkl_anom)
data_output.integrate_noanom = XSDataString(integrate_hkl_noanom)
if not os.path.isfile(gxparm):
EDVerbose.WARNING('No GXPARM.XDS in {0}'.format(xds_run_directory))
EDVerbose.WARNING('Things will probably crash soon')
else:
data_output.gxparm = XSDataString(gxparm)
self.dataOutput = data_output
