Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | Public Member Functions | List of all members
CDPL::Chem::CIPConfigurationLabeler Class Reference

CIPConfigurationLabeler. More...

#include <CIPConfigurationLabeler.hpp>

Public Types

typedef std::shared_ptr< CIPConfigurationLabelerSharedPointer
 

Public Member Functions

 CIPConfigurationLabeler ()
 
 CIPConfigurationLabeler (const MolecularGraph &molgraph)
 
 CIPConfigurationLabeler (const CIPConfigurationLabeler &labeler)
 
 ~CIPConfigurationLabeler ()
 
void setup (const MolecularGraph &molgraph)
 
unsigned int getLabel (const Atom &atom)
 
unsigned int getLabel (const Bond &bond)
 
CIPConfigurationLabeleroperator= (const CIPConfigurationLabeler &labeler)
 

Detailed Description

CIPConfigurationLabeler.

Code is largely based on a Java implementation of the CIP sequence rules by John Mayfield [CIPJM].

Since
1.1

Member Typedef Documentation

◆ SharedPointer

Constructor & Destructor Documentation

◆ CIPConfigurationLabeler() [1/3]

CDPL::Chem::CIPConfigurationLabeler::CIPConfigurationLabeler ( )

◆ CIPConfigurationLabeler() [2/3]

CDPL::Chem::CIPConfigurationLabeler::CIPConfigurationLabeler ( const MolecularGraph molgraph)

◆ CIPConfigurationLabeler() [3/3]

CDPL::Chem::CIPConfigurationLabeler::CIPConfigurationLabeler ( const CIPConfigurationLabeler labeler)

◆ ~CIPConfigurationLabeler()

CDPL::Chem::CIPConfigurationLabeler::~CIPConfigurationLabeler ( )

Member Function Documentation

◆ setup()

void CDPL::Chem::CIPConfigurationLabeler::setup ( const MolecularGraph molgraph)

◆ getLabel() [1/2]

unsigned int CDPL::Chem::CIPConfigurationLabeler::getLabel ( const Atom atom)

◆ getLabel() [2/2]

unsigned int CDPL::Chem::CIPConfigurationLabeler::getLabel ( const Bond bond)

◆ operator=()

CIPConfigurationLabeler& CDPL::Chem::CIPConfigurationLabeler::operator= ( const CIPConfigurationLabeler labeler)

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