TorsionAngleContribs.h File Reference

#include <RDGeneral/export.h>
#include <ForceField/Contrib.h>
#include <vector>

Go to the source code of this file.

Classes
struct	ForceFields::CrystalFF::TorsionAngleContribsParams
class	ForceFields::CrystalFF::TorsionAngleContribs

Namespaces
namespace	RDGeom
namespace	ForceFields
namespace	ForceFields::CrystalFF

Functions
RDKIT_FORCEFIELDHELPERS_EXPORT double	ForceFields::CrystalFF::calcTorsionEnergy (const std::vector< double > &forceConstants, const std::vector< int > &signs, const double cosPhi)