1 #ifndef OPENMM_VIRTUALSITE_H_
2 #define OPENMM_VIRTUALSITE_H_
35 #include "internal/windowsExport.h"
54 int getNumParticles()
const;
61 int getParticle(
int particle)
const;
65 void setParticles(
const std::vector<int>& particleIndices);
67 std::vector<int> particles;
93 double getWeight(
int particle)
const;
95 double weight1, weight2;
116 ThreeParticleAverageSite(
int particle1,
int particle2,
int particle3,
double weight1,
double weight2,
double weight3);
123 double getWeight(
int particle)
const;
125 double weight1, weight2, weight3;
152 OutOfPlaneSite(
int particle1,
int particle2,
int particle3,
double weight12,
double weight13,
double weightCross);
156 double getWeight12()
const;
160 double getWeight13()
const;
164 double getWeightCross()
const;
166 double weight12, weight13, weightCross;