RDKit::MolStandardize::AcidBaseCatalogParams Class Reference

#include <AcidBaseCatalogParams.h>

Inheritance diagram for RDKit::MolStandardize::AcidBaseCatalogParams:

Public Member Functions
	AcidBaseCatalogParams ()
	AcidBaseCatalogParams (const std::string &acidBaseFile)
	AcidBaseCatalogParams (std::istream &acidBaseFile)
	AcidBaseCatalogParams (const std::vector< std::tuple< std::string, std::string, std::string > > &data)
	AcidBaseCatalogParams (const AcidBaseCatalogParams &other)
	~AcidBaseCatalogParams () override
unsigned int	getNumPairs () const
const std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &	getPairs () const
const std::pair< ROMOL_SPTR, ROMOL_SPTR >	getPair (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
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 AcidBaseCatalogParams.h.

Constructor & Destructor Documentation

AcidBaseCatalogParams() [1/5]

RDKit::MolStandardize::AcidBaseCatalogParams::AcidBaseCatalogParams ( )

inline

Definition at line 28 of file AcidBaseCatalogParams.h.

AcidBaseCatalogParams() [2/5]

RDKit::MolStandardize::AcidBaseCatalogParams::AcidBaseCatalogParams

(

const std::string &

acidBaseFile

)

AcidBaseCatalogParams() [3/5]

RDKit::MolStandardize::AcidBaseCatalogParams::AcidBaseCatalogParams

(

std::istream &

acidBaseFile

)

AcidBaseCatalogParams() [4/5]

RDKit::MolStandardize::AcidBaseCatalogParams::AcidBaseCatalogParams

(

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

data

)

AcidBaseCatalogParams() [5/5]

RDKit::MolStandardize::AcidBaseCatalogParams::AcidBaseCatalogParams

(

const AcidBaseCatalogParams &

other

)

~AcidBaseCatalogParams()

RDKit::MolStandardize::AcidBaseCatalogParams::~AcidBaseCatalogParams ( )

override

Member Function Documentation

getNumPairs()

unsigned int RDKit::MolStandardize::AcidBaseCatalogParams::getNumPairs ( ) const

inline

Definition at line 44 of file AcidBaseCatalogParams.h.

getPair()

const std::pair< ROMOL_SPTR, ROMOL_SPTR > RDKit::MolStandardize::AcidBaseCatalogParams::getPair

(

unsigned int

fid

)

const

getPairs()

const std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > & RDKit::MolStandardize::AcidBaseCatalogParams::getPairs

(

)

const

initFromStream()

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

overridevirtual

initializes from a stream pickle

Implements RDCatalog::CatalogParams.

initFromString()

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

overridevirtual

initializes from a string pickle

Implements RDCatalog::CatalogParams.

Serialize()

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

overridevirtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogParams.

toStream()

void RDKit::MolStandardize::AcidBaseCatalogParams::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:

• AcidBaseCatalogParams.h