Unverified Commit fd1cfdd6 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Removed more unnecessarily restrictive parameter checks (#3326)

parent 0993868a
...@@ -64,8 +64,6 @@ void HarmonicAngleForceImpl::initialize(ContextImpl& context) { ...@@ -64,8 +64,6 @@ void HarmonicAngleForceImpl::initialize(ContextImpl& context) {
} }
if (angle < 0 || angle > M_PI*1.000001) if (angle < 0 || angle > M_PI*1.000001)
throw OpenMMException("HarmonicAngleForce: angle must be between 0 and pi"); throw OpenMMException("HarmonicAngleForce: angle must be between 0 and pi");
if (k < 0)
throw OpenMMException("HarmonicAngleForce: force constant cannot be negative");
} }
kernel = context.getPlatform().createKernel(CalcHarmonicAngleForceKernel::Name(), context); kernel = context.getPlatform().createKernel(CalcHarmonicAngleForceKernel::Name(), context);
kernel.getAs<CalcHarmonicAngleForceKernel>().initialize(context.getSystem(), owner); kernel.getAs<CalcHarmonicAngleForceKernel>().initialize(context.getSystem(), owner);
......
...@@ -93,8 +93,8 @@ void NonbondedForceImpl::initialize(ContextImpl& context) { ...@@ -93,8 +93,8 @@ void NonbondedForceImpl::initialize(ContextImpl& context) {
} }
exceptions[particle[0]].insert(particle[1]); exceptions[particle[0]].insert(particle[1]);
exceptions[particle[1]].insert(particle[0]); exceptions[particle[1]].insert(particle[0]);
if (sigma <= 0) if (sigma < 0)
throw OpenMMException("NonbondedForce: sigma for an exception must be positive"); throw OpenMMException("NonbondedForce: sigma for an exception cannot be negative");
if (epsilon < 0) if (epsilon < 0)
throw OpenMMException("NonbondedForce: epsilon for an exception cannot be negative"); throw OpenMMException("NonbondedForce: epsilon for an exception cannot be negative");
} }
...@@ -121,10 +121,6 @@ void NonbondedForceImpl::initialize(ContextImpl& context) { ...@@ -121,10 +121,6 @@ void NonbondedForceImpl::initialize(ContextImpl& context) {
msg << exceptionIndex; msg << exceptionIndex;
throw OpenMMException(msg.str()); throw OpenMMException(msg.str());
} }
if (sigmaScale < 0)
throw OpenMMException("NonbondedForce: sigma scale for a particle parameter offset cannot be negative");
if (epsilonScale < 0)
throw OpenMMException("NonbondedForce: epsilon scale for a particle parameter offset cannot be negative");
} }
if (owner.getNonbondedMethod() != NonbondedForce::NoCutoff && owner.getNonbondedMethod() != NonbondedForce::CutoffNonPeriodic) { if (owner.getNonbondedMethod() != NonbondedForce::NoCutoff && owner.getNonbondedMethod() != NonbondedForce::CutoffNonPeriodic) {
Vec3 boxVectors[3]; Vec3 boxVectors[3];
......
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