$darkmode
DENOPTIM
Public Member Functions | Private Attributes | List of all members
denoptim.utils.ConnectedLigand Class Reference

A ConnectedLigand is just an atom with an explicit field reporting the number of connected atoms. More...

Collaboration diagram for denoptim.utils.ConnectedLigand:
[legend]

Public Member Functions

 ConnectedLigand (IAtom seed, int connections)
 
int getConnections ()
 
boolean isDummy ()
 
IAtom getAtom ()
 
String toString ()
 

Private Attributes

final IAtom seed
 
final int connections
 
final boolean isDu
 

Detailed Description

A ConnectedLigand is just an atom with an explicit field reporting the number of connected atoms.

Author
Marco Foscato

Definition at line 32 of file ConnectedLigand.java.

Constructor & Destructor Documentation

◆ ConnectedLigand()

denoptim.utils.ConnectedLigand.ConnectedLigand ( IAtom  seed,
int  connections 
)

Definition at line 43 of file ConnectedLigand.java.

References denoptim.constants.DENOPTIMConstants.ALL_ELEMENTS, denoptim.utils.ConnectedLigand.connections, denoptim.constants.DENOPTIMConstants.DUMMYATMSYMBOL, denoptim.graph.rings.RingClosingAttractor.RCATYPEMAP, and denoptim.utils.ConnectedLigand.seed.

Member Function Documentation

◆ getAtom()

IAtom denoptim.utils.ConnectedLigand.getAtom ( )

Definition at line 69 of file ConnectedLigand.java.

References denoptim.utils.ConnectedLigand.seed.

Referenced by denoptim.utils.ConnectedLigandComparator.compare().

Here is the caller graph for this function:

◆ getConnections()

int denoptim.utils.ConnectedLigand.getConnections ( )

Definition at line 55 of file ConnectedLigand.java.

References denoptim.utils.ConnectedLigand.connections.

Referenced by denoptim.utils.ConnectedLigandComparator.compare().

Here is the caller graph for this function:

◆ isDummy()

boolean denoptim.utils.ConnectedLigand.isDummy ( )

Definition at line 62 of file ConnectedLigand.java.

References denoptim.utils.ConnectedLigand.isDu.

Referenced by denoptim.utils.ConnectedLigandComparator.compare().

Here is the caller graph for this function:

◆ toString()

String denoptim.utils.ConnectedLigand.toString ( )

Definition at line 76 of file ConnectedLigand.java.

References denoptim.utils.ConnectedLigand.connections, and denoptim.utils.ConnectedLigand.seed.

Member Data Documentation

◆ connections

final int denoptim.utils.ConnectedLigand.connections
private

Definition at line 37 of file ConnectedLigand.java.

Referenced by denoptim.utils.ConnectedLigand.ConnectedLigand(), denoptim.utils.ConnectedLigand.getConnections(), and denoptim.utils.ConnectedLigand.toString().

◆ isDu

final boolean denoptim.utils.ConnectedLigand.isDu
private

Definition at line 39 of file ConnectedLigand.java.

Referenced by denoptim.utils.ConnectedLigand.isDummy().

◆ seed

final IAtom denoptim.utils.ConnectedLigand.seed
private

Definition at line 35 of file ConnectedLigand.java.

Referenced by denoptim.utils.ConnectedLigand.ConnectedLigand(), denoptim.utils.ConnectedLigand.getAtom(), and denoptim.utils.ConnectedLigand.toString().

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