PNGParser.h File Reference

#include <RDGeneral/export.h>
#include <RDGeneral/types.h>
#include <RDGeneral/BadFileException.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/SmilesParse/SmilesParse.h>
#include <GraphMol/SmilesParse/SmilesWrite.h>
#include <GraphMol/MolPickler.h>
#include <boost/format.hpp>
#include <string>
#include <fstream>
#include <sstream>

Go to the source code of this file.

Classes
struct	RDKit::PNGMetadataParams

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::PNGData
	Tags used for PNG metadata.

Functions
metadata to/from PNG
RDKIT_FILEPARSERS_EXPORT std::vector< std::pair< std::string, std::string > >	RDKit::PNGStreamToMetadata (std::istream &inStream)
	returns the metadata (tEXt and zTXt chunks) from PNG data
std::vector< std::pair< std::string, std::string > >	RDKit::PNGFileToMetadata (const std::string &fname)
	returns the metadata (tEXt and zTXt chunks) from PNG data
std::vector< std::pair< std::string, std::string > >	RDKit::PNGStringToMetadata (const std::string &data)
	returns the metadata (tEXt and zTXt chunks) from PNG data
RDKIT_FILEPARSERS_EXPORT std::string	RDKit::addMetadataToPNGStream (std::istream &iStream, const std::vector< std::pair< std::string, std::string > > &metadata, bool compressed=true)
	adds metadata to a PNG stream. The modified PNG data is returned.
std::string	RDKit::addMetadataToPNGString (const std::string &pngString, const std::vector< std::pair< std::string, std::string > > &metadata, bool compressed=true)
	adds metadata to a PNG string. The modified PNG data is returned.
std::string	RDKit::addMetadataToPNGFile (const std::string &fname, const std::vector< std::pair< std::string, std::string > > &metadata, bool compressed=true)
	adds metadata to a PNG file. The modified PNG data is returned.
molecules to/from PNG
RDKIT_FILEPARSERS_EXPORT ROMol *	RDKit::PNGStreamToMol (std::istream &inStream, const SmilesParserParams &params=SmilesParserParams())
	constructs an ROMol from the metadata in a PNG stream
ROMol *	RDKit::PNGFileToMol (const std::string &fname, const SmilesParserParams &params=SmilesParserParams())
	constructs an ROMol from the metadata in a PNG file. See PNGStreamToMol() for more details.
ROMol *	RDKit::PNGStringToMol (const std::string &data, const SmilesParserParams &params=SmilesParserParams())
	constructs an ROMol from the metadata in a PNG string. See PNGStreamToMol() for more details.
RDKIT_FILEPARSERS_EXPORT std::vector< std::unique_ptr< ROMol > >	RDKit::PNGStreamToMols (std::istream &inStream, const std::string &tagToUse=PNGData::pklTag, const SmilesParserParams &params=SmilesParserParams())
	constructs a vector of ROMol from the metadata in a PNG stream
std::vector< std::unique_ptr< ROMol > >	RDKit::PNGFileToMols (const std::string &fname, const std::string &tagToUse=PNGData::pklTag, const SmilesParserParams &params=SmilesParserParams())
	constructs a vector of ROMol from the metadata in a PNG file. See PNGStreamToMols() for more details.
std::vector< std::unique_ptr< ROMol > >	RDKit::PNGStringToMols (const std::string &data, const std::string &tagToUse=PNGData::pklTag, const SmilesParserParams &params=SmilesParserParams())
	constructs a vector of ROMol from the metadata in a PNG string. See PNGStreamToMols() for more details.
RDKIT_FILEPARSERS_EXPORT std::string	RDKit::addMolToPNGStream (const ROMol &mol, std::istream &iStream, const PNGMetadataParams &params)
	adds metadata for an ROMol to the data from a PNG stream. The modified PNG data is returned.
std::string	RDKit::addMolToPNGStream (const ROMol &mol, std::istream &iStream, bool includePkl=true, bool includeSmiles=true, bool includeMol=false)
	adds metadata for an ROMol to the data from a PNG stream. The modified PNG data is returned.
std::string	RDKit::addMolToPNGString (const ROMol &mol, const std::string &pngString, bool includePkl=true, bool includeSmiles=true, bool includeMol=false)
	adds metadata for an ROMol to a PNG string. The modified PNG data is returned. See addMolToPNGStream() for more details.
std::string	RDKit::addMolToPNGString (const ROMol &mol, const std::string &pngString, const PNGMetadataParams &params)
	adds metadata for an ROMol to a PNG string. The modified PNG data is returned. See addMolToPNGStream() for more details.
std::string	RDKit::addMolToPNGFile (const ROMol &mol, const std::string &fname, bool includePkl=true, bool includeSmiles=true, bool includeMol=false)
	adds metadata for an ROMol to the data from a PNG file. The modified PNG data is returned. See addMolToPNGStream() for more details.
std::string	RDKit::addMolToPNGFile (const ROMol &mol, const std::string &fname, const PNGMetadataParams &params)
	adds metadata for an ROMol to the data from a PNG file. The modified PNG data is returned. See addMolToPNGStream() for more details.

Variables
RDKIT_FILEPARSERS_EXPORT const std::string	RDKit::PNGData::smilesTag
RDKIT_FILEPARSERS_EXPORT const std::string	RDKit::PNGData::molTag
RDKIT_FILEPARSERS_EXPORT const std::string	RDKit::PNGData::pklTag