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Unverified Commit 17f085d5 authored by Ezra Greenberg's avatar Ezra Greenberg Committed by GitHub
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Add function parsing to custom multiparticle force (#4986)

parent ebde66b4
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wrappers/python/openmm/app/forcefield.py
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...@@ -3298,6 +3298,7 @@ class CustomManyParticleGenerator(object): ...@@ -3298,6 +3298,7 @@ class CustomManyParticleGenerator(object):
generator.typeFilters.append((int(param.attrib['index']), [int(x) for x in param.attrib['types'].split(',')])) generator.typeFilters.append((int(param.attrib['index']), [int(x) for x in param.attrib['types'].split(',')]))
generator.params = ForceField._AtomTypeParameters(ff, 'CustomManyParticleForce', 'Atom', generator.perParticleParams) generator.params = ForceField._AtomTypeParameters(ff, 'CustomManyParticleForce', 'Atom', generator.perParticleParams)
generator.params.parseDefinitions(element) generator.params.parseDefinitions(element)
generator.functions += _parseFunctions(element)
def createForce(self, sys, data, nonbondedMethod, nonbondedCutoff, args): def createForce(self, sys, data, nonbondedMethod, nonbondedCutoff, args):
methodMap = {NoCutoff:mm.CustomManyParticleForce.NoCutoff, methodMap = {NoCutoff:mm.CustomManyParticleForce.NoCutoff,
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