denoptim.graph.simplified.UndirectedEdge Class Reference

This class represents an undirected version of the edge between two vertices. More...

Collaboration diagram for denoptim.graph.simplified.UndirectedEdge:

Public Member Functions
	UndirectedEdge (AttachmentPoint apA, AttachmentPoint apB, BondType bondType)
	Constructor for an undirected edge. More...
	UndirectedEdge (AttachmentPoint apA, AttachmentPoint apB)
	Constructor for an undirected edge. More...
int	compare (UndirectedEdge other)
String	toString ()

Private Member Functions
void	makeInvariant ()

Private Attributes
AttachmentPoint	apA
	Attachment point A. More...
AttachmentPoint	apB
	Attachment point B. More...
BondType	bondType = BondType.UNDEFINED
	The bond type associated with the connection between the fragments. More...
String	invariant = null
	Invariant representation used to compare. More...

Detailed Description

This class represents an undirected version of the edge between two vertices.

However, it does not behave as a DENOPTIMEdge since it does not interfere with the available state of the attachment points.

Definition at line 32 of file UndirectedEdge.java.

Constructor & Destructor Documentation

UndirectedEdge() [1/2]

denoptim.graph.simplified.UndirectedEdge.UndirectedEdge	(	AttachmentPoint	apA,
		AttachmentPoint	apB,
		BondType	bondType
	)

Constructor for an undirected edge.

This edge does not make the APs unavailable.

Parameters

apA	one of the attachment points connected by this edge
apB	another of the attachment points connected by this edge
bondType	defines what kind of bond type this edge should be converted to when converting a graph into a chemical representation.

Definition at line 65 of file UndirectedEdge.java.

References denoptim.graph.simplified.UndirectedEdge.apA, denoptim.graph.simplified.UndirectedEdge.apB, and denoptim.graph.simplified.UndirectedEdge.bondType.

UndirectedEdge() [2/2]

denoptim.graph.simplified.UndirectedEdge.UndirectedEdge	(	AttachmentPoint	apA,
		AttachmentPoint	apB
	)

Constructor for an undirected edge.

This edge does not make the APs unavailable. Bond type is inferred from the first attachment point.

Parameters

apA	one of the attachment points connected by this edge
apB	another of the attachment points connected by this edge

Definition at line 82 of file UndirectedEdge.java.

References denoptim.graph.simplified.UndirectedEdge.apA, denoptim.graph.simplified.UndirectedEdge.apB, denoptim.graph.AttachmentPoint.getAPClass(), and denoptim.graph.APClass.getBondType().

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Member Function Documentation

compare()

int denoptim.graph.simplified.UndirectedEdge.compare

(

UndirectedEdge

other

)

Definition at line 111 of file UndirectedEdge.java.

References denoptim.graph.simplified.UndirectedEdge.bondType, denoptim.graph.simplified.UndirectedEdge.invariant, and denoptim.graph.simplified.UndirectedEdge.makeInvariant().

Referenced by denoptim.graph.DGraph.isIsomorphicTo(), and denoptim.graph.UndirectedEdgeRelationTest.testUndirectedComparison().

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makeInvariant()

void denoptim.graph.simplified.UndirectedEdge.makeInvariant ( )

private

Definition at line 89 of file UndirectedEdge.java.

References denoptim.graph.simplified.UndirectedEdge.apA, denoptim.graph.simplified.UndirectedEdge.apB, denoptim.graph.Vertex.getBuildingBlockId(), denoptim.graph.Vertex.getBuildingBlockType(), denoptim.graph.AttachmentPoint.getIndexInOwner(), denoptim.graph.AttachmentPoint.getOwner(), and denoptim.utils.GeneralUtils.getPaddedString().

Referenced by denoptim.graph.simplified.UndirectedEdge.compare().

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toString()

String denoptim.graph.simplified.UndirectedEdge.toString

(

)

Definition at line 135 of file UndirectedEdge.java.

References denoptim.graph.simplified.UndirectedEdge.apA, denoptim.graph.simplified.UndirectedEdge.apB, denoptim.graph.simplified.UndirectedEdge.bondType, denoptim.graph.AttachmentPoint.getIndexInOwner(), denoptim.graph.AttachmentPoint.getOwner(), and denoptim.graph.Vertex.getVertexId().

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Member Data Documentation

apA

AttachmentPoint denoptim.graph.simplified.UndirectedEdge.apA

private

Attachment point A.

Definition at line 37 of file UndirectedEdge.java.

Referenced by denoptim.graph.simplified.UndirectedEdge.makeInvariant(), denoptim.graph.simplified.UndirectedEdge.toString(), and denoptim.graph.simplified.UndirectedEdge.UndirectedEdge().

apB

AttachmentPoint denoptim.graph.simplified.UndirectedEdge.apB

private

Attachment point B.

Definition at line 42 of file UndirectedEdge.java.

Referenced by denoptim.graph.simplified.UndirectedEdge.makeInvariant(), denoptim.graph.simplified.UndirectedEdge.toString(), and denoptim.graph.simplified.UndirectedEdge.UndirectedEdge().

bondType

BondType denoptim.graph.simplified.UndirectedEdge.bondType = BondType.UNDEFINED

private

The bond type associated with the connection between the fragments.

Definition at line 47 of file UndirectedEdge.java.

Referenced by denoptim.graph.simplified.UndirectedEdge.compare(), denoptim.graph.simplified.UndirectedEdge.toString(), and denoptim.graph.simplified.UndirectedEdge.UndirectedEdge().

invariant

String denoptim.graph.simplified.UndirectedEdge.invariant = null

private

Invariant representation used to compare.

Definition at line 52 of file UndirectedEdge.java.

Referenced by denoptim.graph.simplified.UndirectedEdge.compare().

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

• /github/workspace/src/main/java/denoptim/graph/simplified/UndirectedEdge.java