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Commit 4f66c0c6 authored by Rafal P. Wiewiora's avatar Rafal P. Wiewiora
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enable wildcard use for types

parent 2acba7ad
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Showing with 6 additions and 2 deletions
wrappers/python/simtk/openmm/app/forcefield.py
View file @ 4f66c0c6
...@@ -320,11 +320,15 @@ class ForceField(object): ...@@ -320,11 +320,15 @@ class ForceField(object):
types.append(None) # Unknown atom class types.append(None) # Unknown atom class
else: else:
types.append(self._atomClasses[attrib[classAttrib]]) types.append(self._atomClasses[attrib[classAttrib]])
else: elif typeAttrib in attrib:
if typeAttrib not in attrib or attrib[typeAttrib] not in self._atomTypes: if attrib[typeAttrib] == '':
types.append(self._atomClasses['']):
elif attrib[typeAttrib] not in self._atomTypes:
types.append(None) # Unknown atom type types.append(None) # Unknown atom type
else: else:
types.append([attrib[typeAttrib]]) types.append([attrib[typeAttrib]])
else:
types.append(None) # Unknown atom type
return types return types
def _parseTorsion(self, attrib): def _parseTorsion(self, attrib):
......
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