CDPL::Chem::CIPConfigurationLabeler Class Reference

CIPConfigurationLabeler. More...

#include <CIPConfigurationLabeler.hpp>

Public Types
typedef std::shared_ptr< CIPConfigurationLabeler >	SharedPointer

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)
CIPConfigurationLabeler &	operator= (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

typedef std::shared_ptr<CIPConfigurationLabeler> CDPL::Chem::CIPConfigurationLabeler::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

)

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

• CIPConfigurationLabeler.hpp