Visualization Library v1.0.3

A lightweight C++ OpenGL middleware for 2D/3D graphics

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Public Member Functions | Protected Attributes

vl::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)
Moleculemolecule () const
void run ()
void bootstrap ()
void depthFirstVisit (Atom *atom, std::vector< ref< Atom > > &current_path)
void keepAromaticCycles ()
void sortCycles ()
void keepPlanarCycles (float epsilon)
void removeDoubles ()
void keepMinimalCycles ()

Protected Attributes

MoleculemMolecule

Detailed Description

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

Definition at line 44 of file RingExtractor.hpp.


Constructor & Destructor Documentation

vl::RingExtractor::RingExtractor ( Molecule mol ) [inline]

Definition at line 47 of file RingExtractor.hpp.


Member Function Documentation

void vl::RingExtractor::setMolecule ( Molecule mol ) [inline]

Definition at line 49 of file RingExtractor.hpp.

References mMolecule.

Molecule* vl::RingExtractor::molecule (  ) const [inline]
void vl::RingExtractor::run (  ) [inline]
void vl::RingExtractor::bootstrap (  ) [inline]
void vl::RingExtractor::depthFirstVisit ( Atom atom,
std::vector< ref< Atom > > &  current_path 
) [inline]
void vl::RingExtractor::keepAromaticCycles (  ) [inline]
void vl::RingExtractor::sortCycles (  ) [inline]

Definition at line 133 of file RingExtractor.hpp.

References vl::Molecule::cycle(), vl::Molecule::cycles(), vl::Atom::isAtomAdjacent(), and molecule().

Referenced by run().

void vl::RingExtractor::keepPlanarCycles ( float  epsilon ) [inline]
void vl::RingExtractor::removeDoubles (  ) [inline]

Definition at line 194 of file RingExtractor.hpp.

References vl::Molecule::cycle(), vl::Molecule::cycles(), and molecule().

Referenced by run().

void vl::RingExtractor::keepMinimalCycles (  ) [inline]

Definition at line 206 of file RingExtractor.hpp.

References vl::Molecule::atoms(), vl::Molecule::cycles(), and molecule().

Referenced by run().


Member Data Documentation

Definition at line 245 of file RingExtractor.hpp.

Referenced by molecule(), and setMolecule().


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

Visualization Library v1.0.3 Reference Documentation
Copyright Michele Bosi. All rights reserved.
Updated on Tue Feb 7 2017 00:55:12.
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