#include <MMFF94PrimaryToParameterAtomTypeMap.hpp>
◆ Entry() [1/2]
CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::Entry |
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◆ Entry() [2/2]
CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::Entry |
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unsigned int |
atom_type, |
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unsigned int |
param_types[] |
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) |
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◆ getAtomType()
unsigned int CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::getAtomType |
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const |
◆ getParameterTypes()
const unsigned int* CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::getParameterTypes |
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const |
◆ operator bool()
CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::operator bool |
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const |
◆ NUM_TYPES
constexpr std::size_t CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::NUM_TYPES = 4 |
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staticconstexpr |
The documentation for this class was generated from the following file: