#include <MMFF94AngleBendingParameterTable.hpp>
◆ Entry() [1/2]
CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::Entry |
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◆ Entry() [2/2]
CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::Entry |
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unsigned int |
angle_type_idx, |
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unsigned int |
term_atom1_type, |
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unsigned int |
ctr_atom_type, |
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unsigned int |
term_atom2_type, |
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double |
force_const, |
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double |
ref_angle |
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◆ getAngleTypeIndex()
unsigned int CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::getAngleTypeIndex |
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const |
◆ getTerminalAtom1Type()
unsigned int CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::getTerminalAtom1Type |
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const |
◆ getCenterAtomType()
unsigned int CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::getCenterAtomType |
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const |
◆ getTerminalAtom2Type()
unsigned int CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::getTerminalAtom2Type |
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const |
◆ getForceConstant()
double CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::getForceConstant |
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const |
◆ getReferenceAngle()
double CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::getReferenceAngle |
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const |
◆ operator bool()
CDPL::ForceField::MMFF94AngleBendingParameterTable::Entry::operator bool |
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const |
The documentation for this class was generated from the following file: