de.modlab.smilib.fragments
Class Linker

java.lang.Object
  de.modlab.smilib.fragments.Fragment
      de.modlab.smilib.fragments.Linker

public class Linker
extends Fragment

Stores SMILES and informations about a linker.

Constructor Summary

Linker(java.lang.String linker, java.lang.String id)
Creates a new Instance of Linker.

Method Summary

java.lang.String	getLinkerForConcat(int i) Inserts the two digit ring number in the modified SMILES and returns the SMILES.
boolean	isEmpty() Returns whether this linker is empty or not.

Methods inherited from class de.modlab.smilib.fragments.Fragment

getID, getOriginalSMILES, numberBlacklisted

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

Linker

public Linker(java.lang.String linker,
              java.lang.String id)

Creates a new Instance of Linker.

Parameters:

linker - linker SMILES

id - linker ID

Method Detail

getLinkerForConcat

public java.lang.String getLinkerForConcat(int i)

Inserts the two digit ring number in the modified SMILES and returns the SMILES.

Parameters:

i - two digit ring number

Returns:

linker SMILES ready for concatenation

isEmpty

public boolean isEmpty()

Returns whether this linker is empty or not.

Returns:

true if this linker is empty, false if not