#include <MMFF94BondStretchingInteraction.hpp>
◆ MMFF94BondStretchingInteraction()
CDPL::ForceField::MMFF94BondStretchingInteraction::MMFF94BondStretchingInteraction |
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std::size_t |
atom1_idx, |
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std::size_t |
atom2_idx, |
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unsigned int |
bond_type_idx, |
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double |
force_const, |
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double |
ref_length |
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inline |
◆ getAtom1Index()
std::size_t CDPL::ForceField::MMFF94BondStretchingInteraction::getAtom1Index |
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const |
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inline |
◆ getAtom2Index()
std::size_t CDPL::ForceField::MMFF94BondStretchingInteraction::getAtom2Index |
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const |
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inline |
◆ getBondTypeIndex()
unsigned int CDPL::ForceField::MMFF94BondStretchingInteraction::getBondTypeIndex |
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const |
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◆ getForceConstant()
double CDPL::ForceField::MMFF94BondStretchingInteraction::getForceConstant |
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const |
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◆ getReferenceLength()
double CDPL::ForceField::MMFF94BondStretchingInteraction::getReferenceLength |
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const |
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inline |
◆ setReferenceLength()
void CDPL::ForceField::MMFF94BondStretchingInteraction::setReferenceLength |
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double |
length | ) |
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inline |
The documentation for this class was generated from the following file: