Commit c23d3c05 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Added missing getBondedParticles() method

parent 2c9eed9c
...@@ -37,6 +37,7 @@ ...@@ -37,6 +37,7 @@
#include "openmm/Kernel.h" #include "openmm/Kernel.h"
#include <utility> #include <utility>
#include <set> #include <set>
#include <vector>
#include <string> #include <string>
namespace OpenMM { namespace OpenMM {
...@@ -61,6 +62,8 @@ public: ...@@ -61,6 +62,8 @@ public:
return std::map<std::string, double>(); // This force field doesn't define any parameters. return std::map<std::string, double>(); // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
std::vector< std::pair<int, int> > getBondedParticles() const;
private: private:
AmoebaHarmonicBondForce& owner; AmoebaHarmonicBondForce& owner;
Kernel kernel; Kernel kernel;
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment