#include <MMFF94DefaultStretchBendParameterTable.hpp>
◆ Entry() [1/2]
CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::Entry |
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◆ Entry() [2/2]
CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::Entry |
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unsigned int |
term_atom1_pte_row, |
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unsigned int |
ctr_atom_pte_row, |
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unsigned int |
term_atom2_pte_row, |
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double |
ijk_force_const, |
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double |
kji_force_const |
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◆ getTerminalAtom1PTERow()
unsigned int CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::getTerminalAtom1PTERow |
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const |
◆ getCenterAtomPTERow()
unsigned int CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::getCenterAtomPTERow |
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const |
◆ getTerminalAtom2PTERow()
unsigned int CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::getTerminalAtom2PTERow |
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const |
◆ getIJKForceConstant()
double CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::getIJKForceConstant |
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const |
◆ getKJIForceConstant()
double CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::getKJIForceConstant |
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const |
◆ operator bool()
CDPL::ForceField::MMFF94DefaultStretchBendParameterTable::Entry::operator bool |
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const |
The documentation for this class was generated from the following file: