From: Egon W. <eg...@us...> - 2002-12-21 20:54:49
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/graph/invariant In directory sc8-pr-cvs1:/tmp/cvs-serv27153/src/org/openscience/cdk/graph/invariant Modified Files: HuLuIndexTool.java Log Message: Big step in implementing RFC #5. Not fully checked for complete implementation. Index: HuLuIndexTool.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/graph/invariant/HuLuIndexTool.java,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -r1.3 -r1.4 *** HuLuIndexTool.java 4 Oct 2002 09:32:58 -0000 1.3 --- HuLuIndexTool.java 21 Dec 2002 20:54:46 -0000 1.4 *************** *** 197,204 **** valenceSum[apspMatrix[j][i]] += 4 - atomContainer.getAtomAt(j).getHydrogenCount(); } ! ! for (int j = 0; j < atomContainer.getBondCount(); j++) { ! bond = atomContainer.getBondAt(j); headAtom = bond.getAtomAt(0); endAtom = bond.getAtomAt(1); --- 197,204 ---- valenceSum[apspMatrix[j][i]] += 4 - atomContainer.getAtomAt(j).getHydrogenCount(); } ! Bond[] bonds = atomContainer.getBonds(); ! for (int j = 0; j < bonds.length; j++) { ! bond = bonds[j]; headAtom = bond.getAtomAt(0); endAtom = bond.getAtomAt(1); |