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Add handling for : in bond types for aromatic bonds (#60)
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forcefield_utilities/gmso_xml.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -469,7 +469,7 @@ def to_gmso_potentials(self, default_units):
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identifier = bond_type.types
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elif bond_type.classes:
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class1, class2 = re.split(r"[\~\-\=\#]+", bond_type.classes)
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class1, class2 = re.split(r"[\~\-\=\#\:]+", bond_type.classes)
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bond_type_dict["member_classes"] = (
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class1,
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class2,
@@ -887,7 +887,7 @@ def to_gmso_potentials(self, default_units):
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elif torsion_type.classes:
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# TODO: Set bond orders
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class1, class2, class3, class4 = re.split(
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r"[\~\-\=\#]+", torsion_type.classes
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r"[\~\-\=\#\:]+", torsion_type.classes
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)
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torsion_dict["member_classes"] = (
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class1,

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