denoptim.utils.ConnectedLigandComparator Class Reference

Compare two ConnectedLigand according to the number of connected atoms and the mass number. More...

Inheritance diagram for denoptim.utils.ConnectedLigandComparator:

Collaboration diagram for denoptim.utils.ConnectedLigandComparator:

Public Member Functions
int	compare (ConnectedLigand a, ConnectedLigand b)

Detailed Description

Compare two ConnectedLigand according to the number of connected atoms and the mass number.

Dummy atoms are prioritized if they have only one connected neighbour

Author

Marco Foscato

Definition at line 30 of file ConnectedLigandComparator.java.

Member Function Documentation

compare()

int denoptim.utils.ConnectedLigandComparator.compare	(	ConnectedLigand	a,
		ConnectedLigand	b
	)

Definition at line 34 of file ConnectedLigandComparator.java.

References denoptim.utils.ConnectedLigand.getAtom(), denoptim.utils.ConnectedLigand.getConnections(), and denoptim.utils.ConnectedLigand.isDummy().

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

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