Commit b768ff4a authored by peastman's avatar peastman
Browse files

Merge pull request #1405 from pgrinaway/fix-3-member-rings

Fix 3 member rings
parents e1c49ebd 6aea38c9
......@@ -856,13 +856,13 @@ class ForceField(object):
uniquePropers = set()
for angle in data.angles:
for atom in bondedToAtom[angle[0]]:
if atom != angle[1]:
if atom not in angle:
if atom < angle[2]:
uniquePropers.add((atom, angle[0], angle[1], angle[2]))
else:
uniquePropers.add((angle[2], angle[1], angle[0], atom))
for atom in bondedToAtom[angle[2]]:
if atom != angle[1]:
if atom not in angle:
if atom > angle[0]:
uniquePropers.add((angle[0], angle[1], angle[2], atom))
else:
......
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