#include <MMFF94ElectrostaticInteraction.hpp>
◆ MMFF94ElectrostaticInteraction()
CDPL::ForceField::MMFF94ElectrostaticInteraction::MMFF94ElectrostaticInteraction |
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std::size_t |
atom1_idx, |
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std::size_t |
atom2_idx, |
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double |
atom1_chg, |
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double |
atom2_chg, |
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double |
scale_fact, |
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double |
de_const, |
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double |
dist_expo |
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◆ getAtom1Index()
std::size_t CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom1Index |
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const |
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◆ getAtom2Index()
std::size_t CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom2Index |
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const |
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◆ getAtom1Charge()
double CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom1Charge |
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const |
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◆ getAtom2Charge()
double CDPL::ForceField::MMFF94ElectrostaticInteraction::getAtom2Charge |
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const |
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◆ getScalingFactor()
double CDPL::ForceField::MMFF94ElectrostaticInteraction::getScalingFactor |
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const |
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◆ getDielectricConstant()
double CDPL::ForceField::MMFF94ElectrostaticInteraction::getDielectricConstant |
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const |
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◆ getDistanceExponent()
double CDPL::ForceField::MMFF94ElectrostaticInteraction::getDistanceExponent |
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const |
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The documentation for this class was generated from the following file: