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Added range filter for number of components in asymmetric unit NO_JIRA #81

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Merged
merged 1 commit into from
Jun 26, 2025
Merged

Added range filter for number of components in asymmetric unit NO_JIRA #81

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19 changes: 19 additions & 0 deletions scripts/refcodes_with_properties/entry_property_calculator.py
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Original file line number Diff line number Diff line change
Expand Up @@ -411,6 +411,25 @@ def value(self, entry):
register(ZPrimeFilter)


class AsymmUnitFilter(_RangeFilter):
def __init__(self, args):
super().__init__(args)

@staticmethod
def name():
return "asymmetric unit components"

@staticmethod
def helptext():
return "specify range of components in the asymmetric unit"

def value(self, entry):
return len(entry.crystal.asymmetric_unit_molecule.components)


register(AsymmUnitFilter)


class RfactorFilter(_RangeFilter):
def __init__(self, args):
super().__init__(args)
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