From: Christoph S. <ste...@us...> - 2001-10-19 10:32:13
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Update of /cvsroot/cdk/cdk/org/openscience/cdk/structgen In directory usw-pr-cvs1:/tmp/cvs-serv2871/org/openscience/cdk/structgen Modified Files: RandomGenerator.java Log Message: RandomGenerator now finally working Index: RandomGenerator.java =================================================================== RCS file: /cvsroot/cdk/cdk/org/openscience/cdk/structgen/RandomGenerator.java,v retrieving revision 1.10 retrieving revision 1.11 diff -C2 -r1.10 -r1.11 *** RandomGenerator.java 2001/10/15 16:36:58 1.10 --- RandomGenerator.java 2001/10/19 10:32:10 1.11 *************** *** 86,92 **** do { - //System.out.println("molecule: " + molecule); trial = (Molecule)molecule.clone(); - //System.out.println("trial: " + trial); mutate(trial); if(debug) --- 86,90 ---- *************** *** 119,127 **** if (proposedStructure != null) { ! molecule.removeAllBonds(); ! for (int f = 0; f < proposedStructure.getBondCount(); f++) ! { ! molecule.addBond((Bond)proposedStructure.getBondAt(f).clone()); ! } } } --- 117,121 ---- if (proposedStructure != null) { ! molecule = proposedStructure; } } |