#include <MMFF94StretchBendInteraction.hpp>
◆ MMFF94StretchBendInteraction()
CDPL::ForceField::MMFF94StretchBendInteraction::MMFF94StretchBendInteraction |
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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 |
sb_type_idx, |
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double |
ref_angle, |
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double |
ref_length1, |
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double |
ref_length2, |
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double |
ijk_force_const, |
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double |
kji_force_const |
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◆ getTerminalAtom1Index()
std::size_t CDPL::ForceField::MMFF94StretchBendInteraction::getTerminalAtom1Index |
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const |
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◆ getCenterAtomIndex()
std::size_t CDPL::ForceField::MMFF94StretchBendInteraction::getCenterAtomIndex |
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const |
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◆ getTerminalAtom2Index()
std::size_t CDPL::ForceField::MMFF94StretchBendInteraction::getTerminalAtom2Index |
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const |
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◆ getAtom1Index()
std::size_t CDPL::ForceField::MMFF94StretchBendInteraction::getAtom1Index |
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const |
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◆ getAtom2Index()
std::size_t CDPL::ForceField::MMFF94StretchBendInteraction::getAtom2Index |
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const |
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◆ getAtom3Index()
std::size_t CDPL::ForceField::MMFF94StretchBendInteraction::getAtom3Index |
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const |
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◆ getStretchBendTypeIndex()
unsigned int CDPL::ForceField::MMFF94StretchBendInteraction::getStretchBendTypeIndex |
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const |
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◆ getIJKForceConstant()
double CDPL::ForceField::MMFF94StretchBendInteraction::getIJKForceConstant |
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const |
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◆ getKJIForceConstant()
double CDPL::ForceField::MMFF94StretchBendInteraction::getKJIForceConstant |
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const |
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◆ getReferenceAngle()
double CDPL::ForceField::MMFF94StretchBendInteraction::getReferenceAngle |
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const |
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◆ setReferenceAngle()
void CDPL::ForceField::MMFF94StretchBendInteraction::setReferenceAngle |
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double |
angle | ) |
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◆ getReferenceLength1()
double CDPL::ForceField::MMFF94StretchBendInteraction::getReferenceLength1 |
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const |
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◆ setReferenceLength1()
void CDPL::ForceField::MMFF94StretchBendInteraction::setReferenceLength1 |
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double |
length | ) |
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◆ getReferenceLength2()
double CDPL::ForceField::MMFF94StretchBendInteraction::getReferenceLength2 |
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const |
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◆ setReferenceLength2()
void CDPL::ForceField::MMFF94StretchBendInteraction::setReferenceLength2 |
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double |
length | ) |
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inline |
The documentation for this class was generated from the following file: