denoptim.utils.RingClosingUtils Class Reference

Toolbox useful when dealing with Ring Closing Attractors and ring closures. More...

Static Public Member Functions
static ArrayList< RingClosingAttractor >	findAttractors (IAtomContainer mol)
	Looks for pseudoatoms representing the possibility of closing a ring: the so-called RingClosingAttractors. More...
static boolean	areSameRingsSet (List< Ring > oldCmb, List< Ring > ringsComb)
	Compares two combinations of DENOPTIMRingss and evaluates whether these correspond to the same combination. More...

Detailed Description

Toolbox useful when dealing with Ring Closing Attractors and ring closures.

Author

Marco Foscato

Definition at line 39 of file RingClosingUtils.java.

Member Function Documentation

areSameRingsSet()

static boolean denoptim.utils.RingClosingUtils.areSameRingsSet ( List< Ring >  oldCmb, List< Ring >  ringsComb  )

static

Compares two combinations of DENOPTIMRingss and evaluates whether these correspond to the same combination.

Definition at line 73 of file RingClosingUtils.java.

Referenced by denoptim.graph.rings.CyclicGraphHandler.combineCompatPathSubGraphs().

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findAttractors()

static ArrayList< RingClosingAttractor > denoptim.utils.RingClosingUtils.findAttractors ( IAtomContainer  mol )

static

Looks for pseudoatoms representing the possibility of closing a ring: the so-called RingClosingAttractors.

Parameters

mol	the molecular system to analyze

Returns

the list of pseudoatoms as RingClosingAttractors

Definition at line 52 of file RingClosingUtils.java.

References denoptim.graph.rings.RingClosingAttractor.isAttractor().

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

• /github/workspace/src/main/java/denoptim/utils/RingClosingUtils.java