From: Miguel <mig...@us...> - 2004-11-03 15:47:20
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Update of /cvsroot/jmol/Jmol/src/org/jmol/viewer/datamodel In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv5100/src/org/jmol/viewer/datamodel Modified Files: Atom.java Frame.java Log Message: changed name to maxAutoBond from maxValence Index: Atom.java =================================================================== RCS file: /cvsroot/jmol/Jmol/src/org/jmol/viewer/datamodel/Atom.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- Atom.java 2 Nov 2004 05:28:06 -0000 1.3 +++ Atom.java 3 Nov 2004 15:47:08 -0000 1.4 @@ -388,16 +388,16 @@ formalChargeAndFlags >> 4); } - int getMaximumValence() { - return JmolConstants.getMaximumValence(elementNumber, - formalChargeAndFlags >> 4); + int getMaximumAutoBondCount() { + return JmolConstants.getMaximumAutoBondCount(elementNumber, + formalChargeAndFlags >> 4); } - int getCurrentValence() { - int currentValence = 0; + int getCurrentBondCount() { + int currentBondCount = 0; for (int i = (bonds == null ? 0 : bonds.length); --i >= 0; ) - currentValence += bonds[i].order & JmolConstants.BOND_COVALENT; - return currentValence; + currentBondCount += bonds[i].order & JmolConstants.BOND_COVALENT; + return currentBondCount; } // find the longest bond to discard Index: Frame.java =================================================================== RCS file: /cvsroot/jmol/Jmol/src/org/jmol/viewer/datamodel/Frame.java,v retrieving revision 1.7 retrieving revision 1.8 diff -u -r1.7 -r1.8 --- Frame.java 3 Nov 2004 02:35:45 -0000 1.7 +++ Frame.java 3 Nov 2004 15:47:08 -0000 1.8 @@ -723,18 +723,18 @@ void checkValencesAndBond(Atom atomA, Atom atomB, int order) { // System.out.println("checkValencesAndBond(" + // atomA.point3f + "," + atomB.point3f + ")"); - int maxValenceA = atomA.getMaximumValence(); - if (maxValenceA == 0) + int maxBondCountA = atomA.getMaximumAutoBondCount(); + if (maxBondCountA == 0) return; - int maxValenceB = atomB.getMaximumValence(); - if (maxValenceB == 0) + int maxBondCountB = atomB.getMaximumAutoBondCount(); + if (maxBondCountB == 0) return; - int currentValenceA = atomA.getCurrentValence(); - // System.out.println("currentValenceA=" + currentValenceA); - boolean availableA = currentValenceA < maxValenceA; - int currentValenceB = atomB.getCurrentValence(); - // System.out.println("currentValenceB=" + currentValenceB); - boolean availableB = currentValenceB < maxValenceB; + int currentBondCountA = atomA.getCurrentBondCount(); + // System.out.println("currentBondCountA=" + currentBondCountA); + boolean availableA = currentBondCountA < maxBondCountA; + int currentBondCountB = atomB.getCurrentBondCount(); + // System.out.println("currentBondCountB=" + currentBondCountB); + boolean availableB = currentBondCountB < maxBondCountB; if (!availableA && availableB) { // System.out.println("a is not available but B is"); Bond bondToDiscard = atomA.getLongestBondToDiscard(atomB); |