本文整理匯總了Python中xia2.Handlers.Flags.Flags.get_xparallel方法的典型用法代碼示例。如果您正苦於以下問題：Python Flags.get_xparallel方法的具體用法？Python Flags.get_xparallel怎麽用？Python Flags.get_xparallel使用的例子？那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類xia2.Handlers.Flags.Flags的用法示例。
在下文中一共展示了Flags.get_xparallel方法的1個代碼示例，這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚，您的評價將有助於係統推薦出更棒的Python代碼示例。
示例1: run
# 需要導入模塊: from xia2.Handlers.Flags import Flags [as 別名]
# 或者: from xia2.Handlers.Flags.Flags import get_xparallel [as 別名]
def run(self):
'''Run integrate.'''
#image_header = self.get_header()
## crank through the header dictionary and replace incorrect
## information with updated values through the indexer
## interface if available...
## need to add distance, wavelength - that should be enough...
#if self.get_distance():
#image_header['distance'] = self.get_distance()
#if self.get_wavelength():
#image_header['wavelength'] = self.get_wavelength()
#if self.get_two_theta():
#image_header['two_theta'] = self.get_two_theta()
header = imageset_to_xds(self.get_imageset())
xds_inp = open(os.path.join(self.get_working_directory(),
'XDS.INP'), 'w')
# what are we doing?
xds_inp.write('JOB=INTEGRATE\n')
xds_inp.write('MAXIMUM_NUMBER_OF_PROCESSORS=%d\n' % \
self._parallel)
from xia2.Handlers.Phil import PhilIndex
xds_params = PhilIndex.params.xds
if xds_params.profile_grid_size:
ab, c = xds_params.profile_grid_size
assert(ab > 0 and ab < 22 and (ab % 2) == 1)
assert(c > 0 and c < 22 and (c % 2) == 1)
xds_inp.write(
'NUMBER_OF_PROFILE_GRID_POINTS_ALONG_ALPHA/BETA= %d\n' % ab)
xds_inp.write(
'NUMBER_OF_PROFILE_GRID_POINTS_ALONG_GAMMA= %d\n' % c)
if Flags.get_xparallel() > 1:
xds_inp.write('MAXIMUM_NUMBER_OF_JOBS=%d\n' % \
Flags.get_xparallel())
elif Flags.get_xparallel() == -1:
chunk_width = 30.0
phi_width = self.get_phi_width()
nchunks = int(
(self._data_range[1] - self._data_range[0] + 1) * \
phi_width / chunk_width)
Debug.write('Xparallel: -1 using %d chunks' % nchunks)
xds_inp.write('MAXIMUM_NUMBER_OF_JOBS=%d\n' % nchunks)
profile_fitting = PhilIndex.params.xds.integrate.profile_fitting
if not profile_fitting:
xds_inp.write('PROFILE_FITTING=FALSE\n')
# write out lots of output
xds_inp.write('TEST=2\n')
if self._params.delphi:
xds_inp.write('DELPHI=%.1f\n' % self._params.delphi)
elif Flags.get_small_molecule():
xds_inp.write('DELPHI=%.1f\n' % \
xds_params.delphi_small)
else:
xds_inp.write('DELPHI=%.1f\n' % \
xds_params.delphi)
if self._refined_xparm:
xds_inp.write('REFINE(INTEGRATE)=%s\n' %
' '.join(self._params.refine_final))
else:
xds_inp.write('REFINE(INTEGRATE)=%s\n' %
' '.join(self._params.refine))
if self._params.fix_scale:
if _running_xds_version() >= 20130330:
xds_inp.write('DATA_RANGE_FIXED_SCALE_FACTOR= %d %d 1\n' %
self._data_range)
else:
xds_inp.write('FIXED_SCALE_FACTOR=TRUE\n')
# check for updated input parameters or ones from phil
if self._updates.has_key('BEAM_DIVERGENCE') and \
self._updates.has_key('BEAM_DIVERGENCE_E.S.D.'):
xds_inp.write(
'BEAM_DIVERGENCE=%f BEAM_DIVERGENCE_E.S.D.=%f\n' % \
(self._updates['BEAM_DIVERGENCE'],
self._updates['BEAM_DIVERGENCE_E.S.D.']))
elif self._params.beam_divergence and self._params.beam_divergence_esd:
xds_inp.write(
'BEAM_DIVERGENCE=%f BEAM_DIVERGENCE_E.S.D.=%f\n' % \
(self._params.beam_divergence,
self._params.beam_divergence_esd))
#.........這裏部分代碼省略.........