Commit 8fb1f4dc authored by peastman's avatar peastman
Browse files

DrudeForce did not implement getBondedParticles()

parent 285a12db
......@@ -64,6 +64,7 @@ public:
}
std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context);
std::vector<std::pair<int, int> > getBondedParticles() const;
private:
const DrudeForce& owner;
Kernel kernel;
......
......@@ -146,8 +146,8 @@ double DrudeForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeFor
return 0.0;
}
std::vector<std::string> DrudeForceImpl::getKernelNames() {
std::vector<std::string> names;
vector<string> DrudeForceImpl::getKernelNames() {
vector<string> names;
names.push_back(CalcDrudeForceKernel::Name());
return names;
}
......@@ -155,3 +155,14 @@ std::vector<std::string> DrudeForceImpl::getKernelNames() {
void DrudeForceImpl::updateParametersInContext(ContextImpl& context) {
kernel.getAs<CalcDrudeForceKernel>().copyParametersToContext(context, owner);
}
vector<pair<int, int> > DrudeForceImpl::getBondedParticles() const {
int numParticles = owner.getNumParticles();
vector<pair<int, int> > bonds(numParticles);
for (int i = 0; i < numParticles; i++) {
int p2, p3, p4;
double charge, polarizability, aniso12, aniso34;
owner.getParticleParameters(i, bonds[i].first, bonds[i].second, p2, p3, p4, charge, polarizability, aniso12, aniso34);
}
return bonds;
}
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