CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry Class Reference

#include <MMFF94PrimaryToParameterAtomTypeMap.hpp>

Public Member Functions
	Entry ()
	Entry (unsigned int atom_type, unsigned int param_types[])
unsigned int	getAtomType () const
const unsigned int *	getParameterTypes () const
	operator bool () const

Static Public Attributes
static constexpr std::size_t	NUM_TYPES = 4

Constructor & Destructor Documentation

Entry() [1/2]

CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::Entry

(

)

Entry() [2/2]

CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::Entry	(	unsigned int	atom_type,
		unsigned int	param_types[]
	)

Member Function Documentation

getAtomType()

unsigned int CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::getAtomType

(

)

const

getParameterTypes()

const unsigned int* CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::getParameterTypes

(

)

const

operator bool()

CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::operator bool

(

)

const

Member Data Documentation

NUM_TYPES

constexpr std::size_t CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry::NUM_TYPES = 4

staticconstexpr

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The documentation for this class was generated from the following file:

• MMFF94PrimaryToParameterAtomTypeMap.hpp