RDKit
Open-source cheminformatics and machine learning.
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RDKit::MolStandardize::TautomerCatalogParams Class Reference

#include <TautomerCatalogParams.h>

Inheritance diagram for RDKit::MolStandardize::TautomerCatalogParams:
RDCatalog::CatalogParams

Public Member Functions

 TautomerCatalogParams ()
 
 TautomerCatalogParams (const std::string &tautomerFile)
 
 TautomerCatalogParams (const TautomerTransformDefs &data)
 
 TautomerCatalogParams (const TautomerCatalogParams &other)
 
 ~TautomerCatalogParams () override
 
const std::vector< TautomerTransform > & getTransforms () const
 
const TautomerTransform getTransform (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 36 of file TautomerCatalogParams.h.

Constructor & Destructor Documentation

◆ TautomerCatalogParams() [1/4]

RDKit::MolStandardize::TautomerCatalogParams::TautomerCatalogParams ( )
inline

Definition at line 39 of file TautomerCatalogParams.h.

◆ TautomerCatalogParams() [2/4]

RDKit::MolStandardize::TautomerCatalogParams::TautomerCatalogParams ( const std::string &  tautomerFile)

◆ TautomerCatalogParams() [3/4]

RDKit::MolStandardize::TautomerCatalogParams::TautomerCatalogParams ( const TautomerTransformDefs data)

◆ TautomerCatalogParams() [4/4]

RDKit::MolStandardize::TautomerCatalogParams::TautomerCatalogParams ( const TautomerCatalogParams other)

◆ ~TautomerCatalogParams()

RDKit::MolStandardize::TautomerCatalogParams::~TautomerCatalogParams ( )
override

Member Function Documentation

◆ getTransform()

const TautomerTransform RDKit::MolStandardize::TautomerCatalogParams::getTransform ( unsigned int  fid) const

◆ getTransforms()

const std::vector< TautomerTransform > & RDKit::MolStandardize::TautomerCatalogParams::getTransforms ( ) const

◆ initFromStream()

void RDKit::MolStandardize::TautomerCatalogParams::initFromStream ( std::istream &  ss)
overridevirtual

initializes from a stream pickle

Implements RDCatalog::CatalogParams.

◆ initFromString()

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

initializes from a string pickle

Implements RDCatalog::CatalogParams.

◆ Serialize()

std::string RDKit::MolStandardize::TautomerCatalogParams::Serialize ( ) const
overridevirtual

returns a string with a serialized (pickled) representation

Implements RDCatalog::CatalogParams.

◆ toStream()

void RDKit::MolStandardize::TautomerCatalogParams::toStream ( std::ostream &  ) const
overridevirtual

serializes (pickles) to a stream

Implements RDCatalog::CatalogParams.


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