CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry Class Reference

#include <MMFF94FormalAtomChargeDefinitionTable.hpp>

Public Member Functions
	Entry ()
	Entry (const std::string &atom_type, std::size_t ass_mode, double charge, const std::string &type_list)
const std::string &	getAtomType () const
std::size_t	getAssignmentMode () const
double	getFormalCharge () const
const std::string &	getAtomTypeList () const
	operator bool () const

Constructor & Destructor Documentation

Entry() [1/2]

CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::Entry

(

)

Entry() [2/2]

CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::Entry	(	const std::string &	atom_type,
		std::size_t	ass_mode,
		double	charge,
		const std::string &	type_list
	)

Member Function Documentation

getAtomType()

const std::string& CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::getAtomType

(

)

const

getAssignmentMode()

std::size_t CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::getAssignmentMode

(

)

const

getFormalCharge()

double CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::getFormalCharge

(

)

const

getAtomTypeList()

const std::string& CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::getAtomTypeList

(

)

const

operator bool()

CDPL::ForceField::MMFF94FormalAtomChargeDefinitionTable::Entry::operator bool

(

)

const

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

• MMFF94FormalAtomChargeDefinitionTable.hpp