CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry Class Reference

#include <MMFF94SymbolicAtomTypePatternTable.hpp>

Public Member Functions
	Entry (const Chem::MolecularGraph::SharedPointer &ptn, const std::string &sym_type, bool fallback)
bool	isFallbackType () const
const Chem::MolecularGraph::SharedPointer &	getPattern () const
const std::string &	getSymbolicType () const

Constructor & Destructor Documentation

Entry()

CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::Entry	(	const Chem::MolecularGraph::SharedPointer &	ptn,
		const std::string &	sym_type,
		bool	fallback
	)

Member Function Documentation

isFallbackType()

bool CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::isFallbackType

(

)

const

getPattern()

const Chem::MolecularGraph::SharedPointer& CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::getPattern

(

)

const

getSymbolicType()

const std::string& CDPL::ForceField::MMFF94SymbolicAtomTypePatternTable::Entry::getSymbolicType

(

)

const

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

• MMFF94SymbolicAtomTypePatternTable.hpp