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

#include <MacroMolTemplate.h>

Public Member Functions

 MacroMolTemplateLibrary ()=default
 
 MacroMolTemplateLibrary (const MacroMolTemplateLibrary &other)
 
 MacroMolTemplateLibrary (MacroMolTemplateLibrary &&) noexcept=default
 
MacroMolTemplateLibrary & operator= (const MacroMolTemplateLibrary &other)
 
MacroMolTemplateLibrary & operator= (MacroMolTemplateLibrary &&) noexcept=default
 
void addTemplate (std::unique_ptr< MacroMolTemplate > macroMolTemplate)
 Adds a completed template and takes ownership of it.
 
const MacroMolTemplate * getByName (MonomerClass monomerClass, const std::string &name) const
 Returns a matching template, or nullptr if none has been added.
 
const MacroMolTemplate * getBySymbol (MonomerClass monomerClass, const std::string &symbol) const
 Returns a matching template, or nullptr if none has been added.
 

Detailed Description

Definition at line 160 of file MacroMolTemplate.h.

Constructor & Destructor Documentation

◆ MacroMolTemplateLibrary() [1/3]

RDKit::MacroMolTemplateLibrary::MacroMolTemplateLibrary ( )
default

◆ MacroMolTemplateLibrary() [2/3]

RDKit::MacroMolTemplateLibrary::MacroMolTemplateLibrary ( const MacroMolTemplateLibrary & other)

◆ MacroMolTemplateLibrary() [3/3]

RDKit::MacroMolTemplateLibrary::MacroMolTemplateLibrary ( MacroMolTemplateLibrary && )
defaultnoexcept

Member Function Documentation

◆ addTemplate()

void RDKit::MacroMolTemplateLibrary::addTemplate ( std::unique_ptr< MacroMolTemplate > macroMolTemplate)

Adds a completed template and takes ownership of it.

References addTemplate().

Referenced by addTemplate().

◆ getByName()

const MacroMolTemplate * RDKit::MacroMolTemplateLibrary::getByName ( MonomerClass monomerClass,
const std::string & name ) const

Returns a matching template, or nullptr if none has been added.

References getByName().

Referenced by getByName().

◆ getBySymbol()

const MacroMolTemplate * RDKit::MacroMolTemplateLibrary::getBySymbol ( MonomerClass monomerClass,
const std::string & symbol ) const

Returns a matching template, or nullptr if none has been added.

References getBySymbol(), and symbol.

Referenced by getBySymbol().

◆ operator=() [1/2]

MacroMolTemplateLibrary & RDKit::MacroMolTemplateLibrary::operator= ( const MacroMolTemplateLibrary & other)

◆ operator=() [2/2]

MacroMolTemplateLibrary & RDKit::MacroMolTemplateLibrary::operator= ( MacroMolTemplateLibrary && )
defaultnoexcept

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