RDKit::SmilesWriter Class Reference

#include <MolWriters.h>

Inheritance diagram for RDKit::SmilesWriter:

List of all members.

Public Member Functions
	SmilesWriter (std::string fileName, std::string delimiter=" ", std::string nameHeader="Name", bool includeHeader=true)
	SmilesWriter (std::ostream *outStream, std::string delimiter=" ", std::string nameHeader="Name", bool includeHeader=true, bool takeOwnership=false)
	~SmilesWriter ()
void	setProps (const STR_VECT &propNames)
void	write (ROMol &mol, int confId=defaultConfId)
void	flush ()
unsigned int	numMols () const

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Detailed Description

Definition at line 28 of file MolWriters.h.

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Constructor & Destructor Documentation

RDKit::SmilesWriter::SmilesWriter	(	std::string	fileName,
		std::string	delimiter = " ",
		std::string	nameHeader = "Name",
		bool	includeHeader = true
	)

RDKit::SmilesWriter::SmilesWriter	(	std::ostream *	outStream,
		std::string	delimiter = " ",
		std::string	nameHeader = "Name",
		bool	includeHeader = true,
		bool	takeOwnership = false
	)

RDKit::SmilesWriter::~SmilesWriter

(

)

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Member Function Documentation

void RDKit::SmilesWriter::setProps

(

const STR_VECT &

propNames

)

[virtual]

Implements RDKit::MolWriter.

void RDKit::SmilesWriter::write	(	ROMol &	mol,
		int	confId = defaultConfId
	)			[virtual]

Implements RDKit::MolWriter.

void RDKit::SmilesWriter::flush

(

)

[inline, virtual]

Implements RDKit::MolWriter.

Definition at line 63 of file MolWriters.h.

References PRECONDITION.

unsigned int RDKit::SmilesWriter::numMols

(

)

const [inline, virtual]

Implements RDKit::MolWriter.

Definition at line 69 of file MolWriters.h.

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

• MolWriters.h

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