RDKit::MolStandardize::TransformCatalogParams Class Reference

#include <TransformCatalogParams.h>

Inheritance diagram for RDKit::MolStandardize::TransformCatalogParams:

Public Member Functions
	TransformCatalogParams ()
	TransformCatalogParams (const std::string &transformFile)
	TransformCatalogParams (std::istream &transformStream)
	TransformCatalogParams (const std::vector< std::pair< std::string, std::string > > &data)
	TransformCatalogParams (const TransformCatalogParams &other)
	~TransformCatalogParams () override
unsigned int	getNumTransformations () const
const std::vector< std::shared_ptr< ChemicalReaction > > &	getTransformations () const
const ChemicalReaction *	getTransformation (unsigned int fid) const
void	toStream (std::ostream &) const override
	serializes (pickles) to a stream
std::string	Serialize () const override
	returns a string with a serialized (pickled) representation
void	initFromStream (std::istream &ss) override
	initializes from a stream pickle
void	initFromString (const std::string &text) override
	initializes from a string pickle
void	initializeTransforms () const
Public Member Functions inherited from RDCatalog::CatalogParams
virtual	~CatalogParams ()=0
std::string	getTypeStr () const
	returns our type string
void	setTypeStr (const std::string &typeStr)
	sets our type string

Additional Inherited Members
Protected Attributes inherited from RDCatalog::CatalogParams
std::string	d_typeStr
	our type string

Detailed Description

Definition at line 25 of file TransformCatalogParams.h.

Constructor & Destructor Documentation

TransformCatalogParams() [1/5]

RDKit::MolStandardize::TransformCatalogParams::TransformCatalogParams ( )

inline

Definition at line 28 of file TransformCatalogParams.h.

References RDCatalog::CatalogParams::d_typeStr.

Referenced by TransformCatalogParams().

TransformCatalogParams() [2/5]

RDKit::MolStandardize::TransformCatalogParams::TransformCatalogParams

(

const std::string &

transformFile

)

TransformCatalogParams() [3/5]

RDKit::MolStandardize::TransformCatalogParams::TransformCatalogParams

(

std::istream &

transformStream

)

TransformCatalogParams() [4/5]

RDKit::MolStandardize::TransformCatalogParams::TransformCatalogParams

(

const std::vector< std::pair< std::string, std::string > > &

data

)

TransformCatalogParams() [5/5]

RDKit::MolStandardize::TransformCatalogParams::TransformCatalogParams

(

const TransformCatalogParams &

other

)

References TransformCatalogParams().

~TransformCatalogParams()

RDKit::MolStandardize::TransformCatalogParams::~TransformCatalogParams ( )

override

Member Function Documentation

getNumTransformations()

unsigned int RDKit::MolStandardize::TransformCatalogParams::getNumTransformations ( ) const

inline

Definition at line 43 of file TransformCatalogParams.h.

getTransformation()

const ChemicalReaction * RDKit::MolStandardize::TransformCatalogParams::getTransformation

(

unsigned int

fid

)

const

getTransformations()

const std::vector< std::shared_ptr< ChemicalReaction > > & RDKit::MolStandardize::TransformCatalogParams::getTransformations

(

)

const

initFromStream()

void RDKit::MolStandardize::TransformCatalogParams::initFromStream ( std::istream & ss )

overridevirtual

initializes from a stream pickle

Implements RDCatalog::CatalogParams.

initFromString()

void RDKit::MolStandardize::TransformCatalogParams::initFromString ( const std::string & text )

overridevirtual

initializes from a string pickle

Implements RDCatalog::CatalogParams.

initializeTransforms()

void RDKit::MolStandardize::TransformCatalogParams::initializeTransforms

(

)

const

Serialize()

std::string RDKit::MolStandardize::TransformCatalogParams::Serialize ( ) const

overridevirtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogParams.

toStream()

void RDKit::MolStandardize::TransformCatalogParams::toStream ( std::ostream & ) const

overridevirtual

serializes (pickles) to a stream

Implements RDCatalog::CatalogParams.

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

• TransformCatalogParams.h