#include <MMFF94BondStretchingRuleParameterTable.hpp>
◆ Entry() [1/2]
CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::Entry |
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◆ Entry() [2/2]
CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::Entry |
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unsigned int |
atomic_no1, |
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unsigned int |
atomic_no2, |
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double |
force_const, |
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double |
ref_length |
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◆ getAtomicNumber1()
unsigned int CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getAtomicNumber1 |
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const |
◆ getAtomicNumber2()
unsigned int CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getAtomicNumber2 |
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const |
◆ getForceConstant()
double CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getForceConstant |
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const |
◆ getReferenceLength()
double CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::getReferenceLength |
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const |
◆ operator bool()
CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry::operator bool |
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const |
The documentation for this class was generated from the following file: