#include <MMFF94BondChargeIncrementTable.hpp>
◆ Entry() [1/2]
CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::Entry |
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◆ Entry() [2/2]
CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::Entry |
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unsigned int |
bond_type_idx, |
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unsigned int |
atom1_type, |
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unsigned int |
atom2_type, |
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double |
bond_chg_inc |
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◆ getBondTypeIndex()
unsigned int CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::getBondTypeIndex |
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const |
◆ getAtom1Type()
unsigned int CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::getAtom1Type |
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const |
◆ getAtom2Type()
unsigned int CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::getAtom2Type |
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const |
◆ getChargeIncrement()
double CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::getChargeIncrement |
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const |
◆ operator bool()
CDPL::ForceField::MMFF94BondChargeIncrementTable::Entry::operator bool |
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const |
The documentation for this class was generated from the following file: