def validate(self, comm):
base_Script.validate(self)
if (self.params.rescale_with_average_cell):
raise Usage("""Rescaling_with_average_cell not supported with MPI
(Would require a second round of scaling, inefficient).""")
if (self.params.mpi.cs == True and comm.Get_size() <= 1):
raise Usage(
"Client-server algorithm requires a minimum size of 2 MPI ranks to process data. Currently size=%d"
% comm.Get_size())
self.completeness += data.completeness
self.completeness_predictions += data.completeness_predictions
self.summed_N += data.summed_N
self.summed_weight += data.summed_weight
self.summed_wt_I += data.summed_wt_I
self.corr_values.extend(data.corr_values)
self.d_min_values.extend(data.d_min_values)
if not self.params.short_circuit:
self.observations.extend(data.observations)
self.rejected_fractions.extend(data.rejected_fractions)
self.wavelength.extend(data.wavelength)
self.uc_values.add_cells(data.uc_values)
def sum_intensities(self):
# Sum the observations of I and I/sig(I) for each reflection.
sum_I = flex.double(self.miller_set.size(), 0.)
sum_I_SIGI = flex.double(self.miller_set.size(), 0.)
for i in range(len(self.ISIGI)):
j = self.ISIGI['miller_id'][i]
sum_I[j] += self.ISIGI['scaled_intensity'][i]
sum_I_SIGI[j] += self.ISIGI['isigi'][i]
return sum_I, sum_I_SIGI
if __name__ == '__main__':
script = Script(refltable_scaling_manager)
script.run()
def validate(self):
base_Script.validate(self)
if (self.params.rescale_with_average_cell):
raise Usage("""Rescaling_with_average_cell not supported with MPI
(Would require a second round of scaling, inefficient).""")
