#include <MMFF94TorsionInteraction.hpp>
◆ MMFF94TorsionInteraction()
CDPL::ForceField::MMFF94TorsionInteraction::MMFF94TorsionInteraction |
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std::size_t |
term_atom1_idx, |
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std::size_t |
ctr_atom1_idx, |
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std::size_t |
ctr_atom2_idx, |
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std::size_t |
term_atom2_idx, |
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unsigned int |
tor_type_idx, |
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double |
tor_param1, |
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double |
tor_param2, |
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double |
tor_param3 |
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◆ getTerminalAtom1Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getTerminalAtom1Index |
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const |
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◆ getCenterAtom1Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getCenterAtom1Index |
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const |
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◆ getCenterAtom2Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getCenterAtom2Index |
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const |
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◆ getTerminalAtom2Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getTerminalAtom2Index |
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const |
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◆ getAtom1Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getAtom1Index |
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const |
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◆ getAtom2Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getAtom2Index |
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const |
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◆ getAtom3Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getAtom3Index |
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const |
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◆ getAtom4Index()
std::size_t CDPL::ForceField::MMFF94TorsionInteraction::getAtom4Index |
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const |
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◆ getTorsionTypeIndex()
unsigned int CDPL::ForceField::MMFF94TorsionInteraction::getTorsionTypeIndex |
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const |
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◆ getTorsionParameter1()
double CDPL::ForceField::MMFF94TorsionInteraction::getTorsionParameter1 |
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const |
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◆ getTorsionParameter2()
double CDPL::ForceField::MMFF94TorsionInteraction::getTorsionParameter2 |
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const |
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◆ getTorsionParameter3()
double CDPL::ForceField::MMFF94TorsionInteraction::getTorsionParameter3 |
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const |
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The documentation for this class was generated from the following file: