denoptim.graph.rings.ChainLink Class Reference

ChainLink represents a vertex in a closable chain. More...

Inheritance diagram for denoptim.graph.rings.ChainLink:

Collaboration diagram for denoptim.graph.rings.ChainLink:

Public Member Functions
	ChainLink ()
	Constructs an empty ChainLink. More...
	ChainLink (int molID, Vertex.BBType ftype, int apLeft, int apRight)
	Constructs a ChainLink from the involved points. More...
int	getIdx ()
Vertex.BBType	getFragType ()
int	getApIdToLeft ()
int	getApIdToRight ()
ChainLink	clone ()
	Returns a deep-clone. More...
String	toString ()

Private Attributes
int	idx
	Fragment ID in library. More...
Vertex.BBType	ftype
	Fragment type. More...
int	apLeft
	Index of AP towards left. More...
int	apRight
	Index of AP towards right. More...

Detailed Description

ChainLink represents a vertex in a closable chain.

This data structure stores information as to the corresponding molecule ID in the library of fragments, the type of fragment and the identify of the AP linking to the chain link before and after

Author

Marco Foscato

Definition at line 32 of file ChainLink.java.

Constructor & Destructor Documentation

ChainLink() [1/2]

denoptim.graph.rings.ChainLink.ChainLink

(

)

Constructs an empty ChainLink.

Definition at line 61 of file ChainLink.java.

Referenced by denoptim.graph.rings.ChainLink.clone().

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ChainLink() [2/2]

denoptim.graph.rings.ChainLink.ChainLink	(	int	molID,
		Vertex.BBType	ftype,
		int	apLeft,
		int	apRight
	)

Constructs a ChainLink from the involved points.

Definition at line 71 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.apLeft, denoptim.graph.rings.ChainLink.apRight, and denoptim.graph.rings.ChainLink.ftype.

Member Function Documentation

clone()

ChainLink denoptim.graph.rings.ChainLink.clone

(

)

Returns a deep-clone.

Returns

a deep-clone

Definition at line 131 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.apLeft, denoptim.graph.rings.ChainLink.apRight, denoptim.graph.rings.ChainLink.ChainLink(), denoptim.graph.rings.ChainLink.ftype, and denoptim.graph.rings.ChainLink.idx.

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getApIdToLeft()

int denoptim.graph.rings.ChainLink.getApIdToLeft

(

)

Returns

the index of the attachment point directed to the left side of the chain from this link

Definition at line 108 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.apLeft.

Referenced by denoptim.ga.GraphOperations.getFragmentForClosableChain(), and denoptim.graph.rings.ClosableChain.involvesVertexAndAP().

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getApIdToRight()

int denoptim.graph.rings.ChainLink.getApIdToRight

(

)

Returns

the index of the attachment point directed to the right side of the chain from this link

Definition at line 120 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.apRight.

Referenced by denoptim.ga.GraphOperations.getFragmentForClosableChain(), and denoptim.graph.rings.ClosableChain.involvesVertexAndAP().

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getFragType()

Vertex.BBType denoptim.graph.rings.ChainLink.getFragType

(

)

Returns

the type of fragment library

Definition at line 96 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.ftype.

Referenced by denoptim.ga.GraphOperations.getFragmentForClosableChain(), denoptim.graph.rings.ClosableChain.involvesVertex(), and denoptim.graph.rings.ClosableChain.involvesVertexAndAP().

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getIdx()

int denoptim.graph.rings.ChainLink.getIdx

(

)

Returns

the index of the fragment in the fragment library

Definition at line 85 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.idx.

Referenced by denoptim.ga.GraphOperations.getFragmentForClosableChain(), denoptim.graph.rings.ClosableChain.getTurningPointIdx(), denoptim.graph.rings.ClosableChain.involvesVertex(), and denoptim.graph.rings.ClosableChain.involvesVertexAndAP().

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toString()

String denoptim.graph.rings.ChainLink.toString

(

)

Returns

the string representation of this ChainLink

Definition at line 143 of file ChainLink.java.

References denoptim.graph.rings.ChainLink.apLeft, denoptim.graph.rings.ChainLink.apRight, denoptim.graph.rings.ChainLink.ftype, and denoptim.graph.rings.ChainLink.idx.

Member Data Documentation

apLeft

int denoptim.graph.rings.ChainLink.apLeft

private

Index of AP towards left.

Definition at line 47 of file ChainLink.java.

Referenced by denoptim.graph.rings.ChainLink.ChainLink(), denoptim.graph.rings.ChainLink.clone(), denoptim.graph.rings.ChainLink.getApIdToLeft(), and denoptim.graph.rings.ChainLink.toString().

apRight

int denoptim.graph.rings.ChainLink.apRight

private

Index of AP towards right.

Definition at line 52 of file ChainLink.java.

Referenced by denoptim.graph.rings.ChainLink.ChainLink(), denoptim.graph.rings.ChainLink.clone(), denoptim.graph.rings.ChainLink.getApIdToRight(), and denoptim.graph.rings.ChainLink.toString().

ftype

Vertex.BBType denoptim.graph.rings.ChainLink.ftype

private

Fragment type.

Definition at line 42 of file ChainLink.java.

Referenced by denoptim.graph.rings.ChainLink.ChainLink(), denoptim.graph.rings.ChainLink.clone(), denoptim.graph.rings.ChainLink.getFragType(), and denoptim.graph.rings.ChainLink.toString().

idx

int denoptim.graph.rings.ChainLink.idx

private

Fragment ID in library.

Definition at line 37 of file ChainLink.java.

Referenced by denoptim.graph.rings.ChainLink.clone(), denoptim.graph.rings.ChainLink.getIdx(), and denoptim.graph.rings.ChainLink.toString().

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

• /github/workspace/src/main/java/denoptim/graph/rings/ChainLink.java