DrudeForce was ignoring force groups (see bug 2012)

11ef1e01 · peastman · 25ea315c · 11ef1e01
Commit 11ef1e01 authored May 01, 2014 by peastman
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plugins/drude/openmmapi/src/DrudeForceImpl.cpp plugins/drude/openmmapi/src/DrudeForceImpl.cpp +2 -1

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--- a/plugins/drude/openmmapi/src/DrudeForceImpl.cpp
+++ b/plugins/drude/openmmapi/src/DrudeForceImpl.cpp
@@ -141,7 +141,8 @@ void DrudeForceImpl::initialize(ContextImpl& context) {
 }

 double DrudeForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups) {
-    return kernel.getAs<CalcDrudeForceKernel>().execute(context, includeForces, includeEnergy);
+    if ((groups&(1<<owner.getForceGroup())) != 0)
+        return kernel.getAs<CalcDrudeForceKernel>().execute(context, includeForces, includeEnergy);
 }

 std::vector<std::string> DrudeForceImpl::getKernelNames() {