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Unverified Commit b57a5a63 authored by Han Y.B's avatar Han Y.B Committed by GitHub
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fix: py Interface omit errors in xml attributes. (#3928)

parent 42127197
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Showing with 5 additions and 12 deletions
wrappers/python/openmm/app/forcefield.py
View file @ b57a5a63
...@@ -3495,14 +3495,11 @@ class AmoebaAngleGenerator(object): ...@@ -3495,14 +3495,11 @@ class AmoebaAngleGenerator(object):
angleList = [] angleList = []
angleList.append(float(angle.attrib['angle1'])) angleList.append(float(angle.attrib['angle1']))
try: if 'angle2' in angle.attrib:
angleList.append(float(angle.attrib['angle2'])) angleList.append(float(angle.attrib['angle2']))
try: if 'angle3' in angle.attrib:
angleList.append(float(angle.attrib['angle3'])) angleList.append(float(angle.attrib['angle3']))
except:
pass
except:
pass
generator.angle.append(angleList) generator.angle.append(angleList)
generator.k.append(float(angle.attrib['k'])) generator.k.append(float(angle.attrib['k']))
if 'inPlane' in angle.attrib: if 'inPlane' in angle.attrib:
...@@ -4967,11 +4964,7 @@ class AmoebaMultipoleGenerator(object): ...@@ -4967,11 +4964,7 @@ class AmoebaMultipoleGenerator(object):
kStrings = [ 'kz', 'kx', 'ky' ] kStrings = [ 'kz', 'kx', 'ky' ]
for kString in kStrings: for kString in kStrings:
try: kIndices.append(int(atom.attrib.get(kString,0)))
if (atom.attrib[kString]):
kIndices.append(int(atom.attrib[kString]))
except:
pass
# set axis type based on k-Indices # set axis type based on k-Indices
......
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