#include <MMFF94AngleBendingInteraction.hpp>
◆ MMFF94AngleBendingInteraction()
CDPL::ForceField::MMFF94AngleBendingInteraction::MMFF94AngleBendingInteraction |
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std::size_t |
term_atom1_idx, |
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std::size_t |
ctr_atom_idx, |
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std::size_t |
term_atom2_idx, |
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unsigned int |
angle_type_idx, |
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bool |
linear, |
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double |
force_const, |
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double |
ref_angle |
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◆ getTerminalAtom1Index()
std::size_t CDPL::ForceField::MMFF94AngleBendingInteraction::getTerminalAtom1Index |
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const |
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◆ getCenterAtomIndex()
std::size_t CDPL::ForceField::MMFF94AngleBendingInteraction::getCenterAtomIndex |
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const |
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◆ getTerminalAtom2Index()
std::size_t CDPL::ForceField::MMFF94AngleBendingInteraction::getTerminalAtom2Index |
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const |
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◆ getAtom1Index()
std::size_t CDPL::ForceField::MMFF94AngleBendingInteraction::getAtom1Index |
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const |
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◆ getAtom2Index()
std::size_t CDPL::ForceField::MMFF94AngleBendingInteraction::getAtom2Index |
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const |
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◆ getAtom3Index()
std::size_t CDPL::ForceField::MMFF94AngleBendingInteraction::getAtom3Index |
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const |
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◆ getAngleTypeIndex()
unsigned int CDPL::ForceField::MMFF94AngleBendingInteraction::getAngleTypeIndex |
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const |
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◆ isLinearAngle()
bool CDPL::ForceField::MMFF94AngleBendingInteraction::isLinearAngle |
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const |
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◆ getForceConstant()
double CDPL::ForceField::MMFF94AngleBendingInteraction::getForceConstant |
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const |
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◆ getReferenceAngle()
double CDPL::ForceField::MMFF94AngleBendingInteraction::getReferenceAngle |
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const |
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◆ setReferenceAngle()
void CDPL::ForceField::MMFF94AngleBendingInteraction::setReferenceAngle |
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double |
angle | ) |
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inline |
The documentation for this class was generated from the following file: