RDKit::FileParserUtils Namespace Reference

Functions
template<typename T >
T	stripSpacesAndCast (const std::string &input, bool acceptSpaces=false)
int	toInt (const std::string &input, bool acceptSpaces=false)
double	toDouble (const std::string &input, bool acceptSpaces=true)
std::string	getV3000Line (std::istream *inStream, unsigned int &line)
bool	ParseV3000CTAB (std::istream *inStream, unsigned int &line, RWMol *mol, Conformer *&conf, bool &chiralityPossible, unsigned int &nAtoms, unsigned int &nBonds)
bool	ParseV2000CTAB (std::istream *inStream, unsigned int &line, RWMol *mol, Conformer *&conf, bool &chiralityPossible, unsigned int &nAtoms, unsigned int &nBonds)
Atom *	replaceAtomWithQueryAtom (RWMol *mol, Atom *atom)

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Function Documentation

std::string RDKit::FileParserUtils::getV3000Line	(	std::istream *	inStream,
		unsigned int &	line
	)

bool RDKit::FileParserUtils::ParseV2000CTAB	(	std::istream *	inStream,
		unsigned int &	line,
		RWMol *	mol,
		Conformer *&	conf,
		bool &	chiralityPossible,
		unsigned int &	nAtoms,
		unsigned int &	nBonds
	)

bool RDKit::FileParserUtils::ParseV3000CTAB	(	std::istream *	inStream,
		unsigned int &	line,
		RWMol *	mol,
		Conformer *&	conf,
		bool &	chiralityPossible,
		unsigned int &	nAtoms,
		unsigned int &	nBonds
	)

Atom* RDKit::FileParserUtils::replaceAtomWithQueryAtom	(	RWMol *	mol,
		Atom *	atom
	)

template<typename T >

T RDKit::FileParserUtils::stripSpacesAndCast	(	const std::string &	input,
		bool	acceptSpaces = false
	)

Definition at line 24 of file FileParserUtils.h.

double RDKit::FileParserUtils::toDouble	(	const std::string &	input,
		bool	acceptSpaces = true
	)

int RDKit::FileParserUtils::toInt	(	const std::string &	input,
		bool	acceptSpaces = false
	)