From: <ha...@us...> - 2010-09-14 03:24:39
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Revision: 14294 http://jmol.svn.sourceforge.net/jmol/?rev=14294&view=rev Author: hansonr Date: 2010-09-14 03:24:33 +0000 (Tue, 14 Sep 2010) Log Message: ----------- version=12.0.13_dev # bug fix: load {i j k} RANGE x.x not expanding load box by 1 in each direction Modified Paths: -------------- branches/v12_0/Jmol/src/org/jmol/adapter/smarter/AtomSetCollection.java branches/v12_0/Jmol/src/org/jmol/viewer/Jmol.properties Modified: branches/v12_0/Jmol/src/org/jmol/adapter/smarter/AtomSetCollection.java =================================================================== --- branches/v12_0/Jmol/src/org/jmol/adapter/smarter/AtomSetCollection.java 2010-09-14 00:09:41 UTC (rev 14293) +++ branches/v12_0/Jmol/src/org/jmol/adapter/smarter/AtomSetCollection.java 2010-09-14 03:24:33 UTC (rev 14294) @@ -714,20 +714,25 @@ minXYZ = new Point3i(); maxXYZ = new Point3i(maxX, maxY, maxZ); getSymmetry().setMinMaxLatticeParameters(minXYZ, maxXYZ); - int dims = (int) getSymmetry().getUnitCellInfo( - JmolConstants.INFO_DIMENSIONS); - if (doPackUnitCell) { - minXYZ.x--; - maxXYZ.x++; - if (dims > 1) { // not polymer + if (doPackUnitCell || symmetryRange != 0 && maxXYZ.x - minXYZ.x == 1 + && maxXYZ.y - minXYZ.y == 1 && maxXYZ.z - minXYZ.z == 1) + switch ((int) getSymmetry() + .getUnitCellInfo(JmolConstants.INFO_DIMENSIONS)) { + case 3: + // standard + minXYZ.z--; + maxXYZ.z++; + // fall through; + case 2: + // slab or standard minXYZ.y--; maxXYZ.y++; - if (dims > 2) { // not polymer or slab - minXYZ.z--; - maxXYZ.z++; - } + // fall through; + case 1: + // slab, polymer, or standard + minXYZ.x--; + maxXYZ.x++; } - } int nCells = (maxXYZ.x - minXYZ.x) * (maxXYZ.y - minXYZ.y) * (maxXYZ.z - minXYZ.z); int cartesianCount = (checkSpecial ? noSymmetryCount * operationCount Modified: branches/v12_0/Jmol/src/org/jmol/viewer/Jmol.properties =================================================================== --- branches/v12_0/Jmol/src/org/jmol/viewer/Jmol.properties 2010-09-14 00:09:41 UTC (rev 14293) +++ branches/v12_0/Jmol/src/org/jmol/viewer/Jmol.properties 2010-09-14 03:24:33 UTC (rev 14294) @@ -4,6 +4,7 @@ version=12.0.13_dev +# bug fix: load {i j k} RANGE x.x not expanding load box by 1 in each direction # bug fix: applet console does not display startup message # bug fix: undo/redo problems in AppConsole # bug fix: crystal reader can't read selected model This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |