for argv in sys.argv[1:]:
md = Mtzdump()
md.set_hklin(argv)
md.dump()
columns = [c[0] for c in md.get_columns()]
if dose_column:
assert(dose_column in columns)
continue
if 'DOSE' in columns:
dose_range = md.get_column_range('DOSE')[:2]
if dose_range[0] != dose_range[1]:
dose_column = 'DOSE'
if 'BATCH' in columns and not dose_column:
dose_column = 'BATCH'
if not dose_column:
raise RuntimeError('no DOSE/BATCH column found')
dmin = min(md.get_resolution_range())
if overall_dmin is None:
overall_dmin = dmin
if dmin > overall_dmin:
overall_dmin = dmin
for argv in sys.argv[1:]:
md = Mtzdump()
md.set_hklin(argv)
md.dump()
columns = [c[0] for c in md.get_columns()]
if dose_column:
assert(dose_column in columns)
continue
if 'DOSE' in columns:
dose_range = md.get_column_range('DOSE')[:2]
if dose_range[0] != dose_range[1]:
dose_column = 'DOSE'
if 'BATCH' in columns and not dose_column:
dose_column = 'BATCH'
if not dose_column:
raise RuntimeError, 'no DOSE/BATCH column found'
dmin = min(md.get_resolution_range())
if overall_dmin is None:
overall_dmin = dmin
if dmin > overall_dmin:
overall_dmin = dmin
for argv in sys.argv[1:]:
md = Mtzdump()
md.set_hklin(argv)
md.dump()
columns = [c[0] for c in md.get_columns()]
if dose_column:
assert dose_column in columns
continue
if "DOSE" in columns:
dose_range = md.get_column_range("DOSE")[:2]
if dose_range[0] != dose_range[1]:
dose_column = "DOSE"
if "BATCH" in columns and not dose_column:
dose_column = "BATCH"
if not dose_column:
raise RuntimeError("no DOSE/BATCH column found")
dmin = min(md.get_resolution_range())
if overall_dmin is None:
overall_dmin = dmin
if dmin > overall_dmin:
overall_dmin = dmin
