#include <MMFF94OutOfPlaneBendingInteraction.hpp>
◆ MMFF94OutOfPlaneBendingInteraction()
CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::MMFF94OutOfPlaneBendingInteraction |
( |
std::size_t |
term_atom1_idx, |
|
|
std::size_t |
ctr_atom_idx, |
|
|
std::size_t |
term_atom2_idx, |
|
|
std::size_t |
oop_atom_idx, |
|
|
double |
force_const |
|
) |
| |
|
inline |
◆ getTerminalAtom1Index()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getTerminalAtom1Index |
( |
| ) |
const |
|
inline |
◆ getCenterAtomIndex()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getCenterAtomIndex |
( |
| ) |
const |
|
inline |
◆ getTerminalAtom2Index()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getTerminalAtom2Index |
( |
| ) |
const |
|
inline |
◆ getOutOfPlaneAtomIndex()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getOutOfPlaneAtomIndex |
( |
| ) |
const |
|
inline |
◆ getAtom1Index()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom1Index |
( |
| ) |
const |
|
inline |
◆ getAtom2Index()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom2Index |
( |
| ) |
const |
|
inline |
◆ getAtom3Index()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom3Index |
( |
| ) |
const |
|
inline |
◆ getAtom4Index()
std::size_t CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getAtom4Index |
( |
| ) |
const |
|
inline |
◆ getForceConstant()
double CDPL::ForceField::MMFF94OutOfPlaneBendingInteraction::getForceConstant |
( |
| ) |
const |
|
inline |
The documentation for this class was generated from the following file: