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DENOPTIM
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denoptim.graph.FragIsomorphNode Class Reference

Public Member Functions

 FragIsomorphNode (IAtom atm)
 
 FragIsomorphNode (AttachmentPoint ap)
 
String getLabel ()
 
Object getOriginal ()
 
boolean isAtm ()
 
Point3d getPoint3d ()
 

Package Attributes

String label = "none"
 Elemental symbol or name used to identify the node content. More...
 
Object original
 Reference to the object that originally generated this node. More...
 
boolean isAtm = true
 true if the original object was an atom. More...
 

Detailed Description

Definition at line 9 of file FragIsomorphNode.java.

Constructor & Destructor Documentation

◆ FragIsomorphNode() [1/2]

denoptim.graph.FragIsomorphNode.FragIsomorphNode ( IAtom  atm)

Definition at line 28 of file FragIsomorphNode.java.

References denoptim.utils.MoleculeUtils.getSymbolOrLabel().

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◆ FragIsomorphNode() [2/2]

denoptim.graph.FragIsomorphNode.FragIsomorphNode ( AttachmentPoint  ap)

Definition at line 37 of file FragIsomorphNode.java.

References denoptim.graph.AttachmentPoint.getAPClass(), and denoptim.graph.APClass.toString().

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Member Function Documentation

◆ getLabel()

String denoptim.graph.FragIsomorphNode.getLabel ( )

Definition at line 46 of file FragIsomorphNode.java.

References denoptim.graph.FragIsomorphNode.label.

◆ getOriginal()

Object denoptim.graph.FragIsomorphNode.getOriginal ( )

Definition at line 53 of file FragIsomorphNode.java.

References denoptim.graph.FragIsomorphNode.original.

◆ getPoint3d()

Point3d denoptim.graph.FragIsomorphNode.getPoint3d ( )

Definition at line 67 of file FragIsomorphNode.java.

References denoptim.utils.MoleculeUtils.getPoint3d(), and denoptim.graph.FragIsomorphNode.original.

Referenced by denoptim.fragmenter.FragmentAlignement.FragmentAlignement().

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◆ isAtm()

boolean denoptim.graph.FragIsomorphNode.isAtm ( )

Definition at line 60 of file FragIsomorphNode.java.

References denoptim.graph.FragIsomorphNode.isAtm.

Member Data Documentation

◆ isAtm

boolean denoptim.graph.FragIsomorphNode.isAtm = true
package

true if the original object was an atom.

Definition at line 24 of file FragIsomorphNode.java.

Referenced by denoptim.graph.FragmentIsomorphismInspector.FragmentIsomorphismInspector(), and denoptim.graph.FragIsomorphNode.isAtm().

◆ label

String denoptim.graph.FragIsomorphNode.label = "none"
package

Elemental symbol or name used to identify the node content.

Definition at line 14 of file FragIsomorphNode.java.

Referenced by denoptim.graph.FragmentIsomorphismInspector.FragmentIsomorphismInspector(), and denoptim.graph.FragIsomorphNode.getLabel().

◆ original

Object denoptim.graph.FragIsomorphNode.original
package

Reference to the object that originally generated this node.

Definition at line 19 of file FragIsomorphNode.java.

Referenced by denoptim.graph.FragIsomorphNode.getOriginal(), and denoptim.graph.FragIsomorphNode.getPoint3d().

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