vlMolecule::RingExtractor Class Reference

The RingExtractor class traverses a molecule's graph and detects various types of cycles, mainly used for aromatic ring detection. More...

#include <RingExtractor.hpp>

List of all members.

Public Member Functions
	RingExtractor (Molecule *mol)
void	setMolecule (Molecule *mol)
Molecule *	molecule () const
void	run ()
void	bootstrap ()
void	depthFirstVisit (Atom *atom, std::vector< vl::ref< Atom > > &current_path)
void	keepAromaticCycles ()
void	sortCycles ()
void	keepPlanarCycles (float epsilon)
void	removeDoubles ()
void	keepMinimalCycles ()
Protected Attributes
Molecule *	mMolecule

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Detailed Description

The RingExtractor class traverses a molecule's graph and detects various types of cycles, mainly used for aromatic ring detection.

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Constructor & Destructor Documentation

vlMolecule::RingExtractor::RingExtractor

(

Molecule *

mol

)

[inline]

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Member Function Documentation

void vlMolecule::RingExtractor::setMolecule

(

Molecule *

mol

)

[inline]

Molecule* vlMolecule::RingExtractor::molecule

(

)

const [inline]

void vlMolecule::RingExtractor::run

(

)

[inline]

void vlMolecule::RingExtractor::bootstrap

(

)

[inline]

void vlMolecule::RingExtractor::depthFirstVisit	(	Atom *	atom,
		std::vector< vl::ref< Atom > > &	current_path
	)			[inline]

void vlMolecule::RingExtractor::keepAromaticCycles

(

)

[inline]

void vlMolecule::RingExtractor::sortCycles

(

)

[inline]

void vlMolecule::RingExtractor::keepPlanarCycles

(

float

epsilon

)

[inline]

void vlMolecule::RingExtractor::removeDoubles

(

)

[inline]

void vlMolecule::RingExtractor::keepMinimalCycles

(

)

[inline]

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Member Data Documentation

Molecule* vlMolecule::RingExtractor::mMolecule [protected]

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

• E:/VisualizationLibrary/BuildSystem/VL_DISTRO/Visualization_Library_SDK/src/vlMolecule/RingExtractor.hpp