[Cdk-commits] CVS: cdk/src/org/openscience/cdk/fingerprint Fingerprinter.java,1.42,1.43

[Stefan K. <sh...@us...>]

Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/fingerprint
In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv29346/src/org/openscience/cdk/fingerprint

Modified Files:
	Fingerprinter.java 
Log Message:
better comment


Index: Fingerprinter.java
===================================================================
RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/fingerprint/Fingerprinter.java,v
retrieving revision 1.42
retrieving revision 1.43
diff -u -r1.42 -r1.43
--- Fingerprinter.java	19 Jan 2006 10:01:31 -0000	1.42
+++ Fingerprinter.java	17 Feb 2006 10:47:31 -0000	1.43
@@ -84,7 +84,7 @@
 public class Fingerprinter implements IFingerprinter {
 	
 	private final static int defaultSize = 1024;
-	private final static int defaultSearchDepth = 6;
+	private final static int defaultSearchDepth = 8;
 	
 	private int size;
 	private int searchDepth;
@@ -173,6 +173,8 @@
 	
 	/**
 	 * Generates a fingerprint of the default size for the given AtomContainer, using path and ring metrics
+	 * It contains the informations from getFingerprint() and bits which tell if the structure has 0 rings, 1 or less rings,
+	 * 2 or less rings ... 10 or less rings (referring to smalles set of smallest rings) and bits which tell if there is a ring with 3, 4 ... 10 atoms.
 	 *
 	 *@param     ac         The AtomContainer for which a Fingerprint is generated
 	 *@exception Exception  Description of the Exception
@@ -183,9 +185,12 @@
 		
 	/**
 	 * Generates a fingerprint of the default size for the given AtomContainer, using path and ring metrics
+	 * It contains the informations from getFingerprint() and bits which tell if the structure has 0 rings, 1 or less rings,
+	 * 2 or less rings ... 10 or less rings and bits which tell if there is a ring with 3, 4 ... 10 atoms.
+	 * The RingSet used is passed via rs parameter. This can be an allRingsSet or a smallesSetOfSmallestRings. If none is given, a sssr is calculated.
 	 *
 	 *@param     ac         The AtomContainer for which a Fingerprint is generated
-	 *@param     rs         A SSSR of ac (if not calculated, use  getExtendedFingerprint(AtomContainer ac), which does the calculation)
+	 *@param     rs         A RingSet of ac (if not available, use  getExtendedFingerprint(AtomContainer ac), which does the calculation)
 	 *@exception Exception  Description of the Exception
 	 */
 	public BitSet getExtendedFingerprint(IAtomContainer ac, IRingSet rs) throws Exception {