RDKit::KeyFromPropHolder Class Reference

#include <SubstructLibrary.h>

Inheritance diagram for RDKit::KeyFromPropHolder:

Public Member Functions
	KeyFromPropHolder (const std::string &propname="_Name")
std::string &	getPropName ()
const std::string &	getPropName () const
std::vector< std::string > &	getKeys ()
const std::vector< std::string > &	getKeys () const
unsigned int	addMol (const ROMol &m) override
	Add a key to the database getting it from the molecule.
unsigned int	addKey (const std::string &key) override
const std::string &	getKey (unsigned int idx) const override
std::vector< std::string >	getKeys (const std::vector< unsigned int > &indices) const override
unsigned int	size () const override
	Get the current keeyholder size.
Public Member Functions inherited from RDKit::KeyHolderBase
virtual	~KeyHolderBase ()

Detailed Description

Definition at line 373 of file SubstructLibrary.h.

Constructor & Destructor Documentation

KeyFromPropHolder()

RDKit::KeyFromPropHolder::KeyFromPropHolder ( const std::string & propname = "_Name" )

inline

Definition at line 379 of file SubstructLibrary.h.

Member Function Documentation

addKey()

unsigned int RDKit::KeyFromPropHolder::addKey ( const std::string & )

inlineoverridevirtual

Add a key to the database, this needs to be in the same order as the molecule, no validation is done

Implements RDKit::KeyHolderBase.

Definition at line 402 of file SubstructLibrary.h.

addMol()

unsigned int RDKit::KeyFromPropHolder::addMol ( const ROMol & m )

inlineoverridevirtual

Add a key to the database getting it from the molecule.

Implements RDKit::KeyHolderBase.

Definition at line 388 of file SubstructLibrary.h.

getKey()

const std::string & RDKit::KeyFromPropHolder::getKey ( unsigned int idx ) const

inlineoverridevirtual

Implements RDKit::KeyHolderBase.

Definition at line 407 of file SubstructLibrary.h.

getKeys() [1/3]

std::vector< std::string > & RDKit::KeyFromPropHolder::getKeys ( )

inline

Definition at line 385 of file SubstructLibrary.h.

getKeys() [2/3]

const std::vector< std::string > & RDKit::KeyFromPropHolder::getKeys ( ) const

inline

Definition at line 386 of file SubstructLibrary.h.

getKeys() [3/3]

std::vector< std::string > RDKit::KeyFromPropHolder::getKeys ( const std::vector< unsigned int > & indices ) const

inlineoverridevirtual

Implements RDKit::KeyHolderBase.

Definition at line 414 of file SubstructLibrary.h.

getPropName() [1/2]

std::string & RDKit::KeyFromPropHolder::getPropName ( )

inline

Definition at line 382 of file SubstructLibrary.h.

getPropName() [2/2]

const std::string & RDKit::KeyFromPropHolder::getPropName ( ) const

inline

Definition at line 383 of file SubstructLibrary.h.

size()

unsigned int RDKit::KeyFromPropHolder::size ( ) const

inlineoverridevirtual

Get the current keeyholder size.

Implements RDKit::KeyHolderBase.

Definition at line 421 of file SubstructLibrary.h.

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

• SubstructLibrary.h