[Cdk-commits] CVS: cdk/src/org/openscience/cdk/ringsearch AllRingsFinder.java,1.1.1.1,1.2

[Christoph S. <ste...@us...>]

Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/ringsearch
In directory usw-pr-cvs1:/tmp/cvs-serv1692

Modified Files:
	AllRingsFinder.java 
Log Message:
Hopefully removed bug with residual atoms between rings

Index: AllRingsFinder.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/ringsearch/AllRingsFinder.java,v
retrieving revision 1.1.1.1
retrieving revision 1.2
diff -C2 -r1.1.1.1 -r1.2
*** AllRingsFinder.java	23 Jun 2002 17:24:55 -0000	1.1.1.1
--- AllRingsFinder.java	10 Jul 2002 15:54:34 -0000	1.2
***************
*** 66,69 ****
--- 66,70 ----
  	{
  		Vector pathes = new Vector();
+ 		Atom atom = null;
  		RingSet ringSet = new RingSet();
  		AtomContainer ac = new AtomContainer();
***************
*** 82,88 ****
  		do
  		{
! 			remove(selectAtom(ac), ac, pathes, ringSet);
  		}
! 		while(pathes.size() > 0);
  		if (debug) System.out.println("pathes.size(): " + pathes.size());
  		if (debug) System.out.println("ringSet.size(): " + ringSet.size());
--- 83,90 ----
  		do
  		{
! 			atom = selectAtom(ac);
! 			if (atom != null) remove(atom, ac, pathes, ringSet);
  		}
! 		while(pathes.size() > 0 && atom != null);
  		if (debug) System.out.println("pathes.size(): " + pathes.size());
  		if (debug) System.out.println("ringSet.size(): " + ringSet.size());
***************
*** 216,224 ****
  		Atom minAtom = null;
  		Atom atom = null;
- 		
  		for (int f = 0; f < ac.getAtomCount(); f++)
  		{
  			atom = ac.getAtomAt(f);
  			degree = ac.getDegree(atom);
  			if (degree < minDegree)
  			{
--- 218,226 ----
  		Atom minAtom = null;
  		Atom atom = null;
  		for (int f = 0; f < ac.getAtomCount(); f++)
  		{
  			atom = ac.getAtomAt(f);
  			degree = ac.getDegree(atom);
+ 			
  			if (degree < minDegree)
  			{
***************
*** 235,238 ****
--- 237,241 ----
  			exc.printStackTrace();
  		}
+ 		
  		return minAtom;
  	}