def export(self):
'''
Export the files
'''
from dials.util.export_mmcif import MMCIFOutputFile
outfile = MMCIFOutputFile(self.params.mmcif.hklout)
outfile.write(self.experiments, self.reflections)
def export(self):
"""
Export the files
"""
from dials.util.export_mmcif import MMCIFOutputFile
outfile = MMCIFOutputFile(self.params)
try:
outfile.write(self.experiments, self.reflections)
except ValueError as e:
raise Sorry(e)
def export_mmcif(params, experiments, reflections):
"""
Export data in CIF format
:param params: The phil parameters
:param experiments: The experiment list
:param reflections: The reflection tables
"""
_check_input(experiments, reflections)
from dials.util.export_mmcif import MMCIFOutputFile
outfile = MMCIFOutputFile(params)
outfile.write(experiments, reflections[0])