From: <ha...@us...> - 2009-07-08 04:58:28
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Revision: 11189 http://jmol.svn.sourceforge.net/jmol/?rev=11189&view=rev Author: hansonr Date: 2009-07-08 02:34:58 +0000 (Wed, 08 Jul 2009) Log Message: ----------- version=11.6.26_dev # bug fix: mol2 reader not properly allowing override of CRYSIN unit cell record Modified Paths: -------------- branches/v11_6/Jmol/src/org/jmol/adapter/readers/more/Mol2Reader.java branches/v11_6/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java branches/v11_6/Jmol/src/org/jmol/viewer/Jmol.properties branches/v11_6/Jmol/src/org/jmol/viewer/StateManager.java Modified: branches/v11_6/Jmol/src/org/jmol/adapter/readers/more/Mol2Reader.java =================================================================== --- branches/v11_6/Jmol/src/org/jmol/adapter/readers/more/Mol2Reader.java 2009-07-08 02:32:29 UTC (rev 11188) +++ branches/v11_6/Jmol/src/org/jmol/adapter/readers/more/Mol2Reader.java 2009-07-08 02:34:58 UTC (rev 11189) @@ -261,8 +261,6 @@ String[] tokens = getTokens(); if (tokens.length < 6) return; - for (int i = 0; i < 6; i++) - setUnitCellItem(i, parseFloat(tokens[i])); String name = ""; for (int i = 6; i < tokens.length; i++) name += " " + tokens[i]; @@ -272,6 +270,10 @@ name += " *"; name = name.substring(1); setSpaceGroupName(name); + if (ignoreFileUnitCell) + return; + for (int i = 0; i < 6; i++) + setUnitCellItem(i, parseFloat(tokens[i])); Atom[] atoms = atomSetCollection.getAtoms(); for (int i = 0; i < atomCount; ++i) setAtomCoord(atoms[nAtoms + i]); Modified: branches/v11_6/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java =================================================================== --- branches/v11_6/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java 2009-07-08 02:32:29 UTC (rev 11188) +++ branches/v11_6/Jmol/src/org/jmol/adapter/smarter/AtomSetCollectionReader.java 2009-07-08 02:34:58 UTC (rev 11189) @@ -191,7 +191,7 @@ protected boolean doApplySymmetry; boolean doConvertToFractional; boolean fileCoordinatesAreFractional; - boolean ignoreFileUnitCell; + protected boolean ignoreFileUnitCell; protected boolean ignoreFileSymmetryOperators; boolean ignoreFileSpaceGroupName; boolean isTrajectory; Modified: branches/v11_6/Jmol/src/org/jmol/viewer/Jmol.properties =================================================================== --- branches/v11_6/Jmol/src/org/jmol/viewer/Jmol.properties 2009-07-08 02:32:29 UTC (rev 11188) +++ branches/v11_6/Jmol/src/org/jmol/viewer/Jmol.properties 2009-07-08 02:34:58 UTC (rev 11189) @@ -3,6 +3,7 @@ version=11.6.26_dev +# bug fix: mol2 reader not properly allowing override of CRYSIN unit cell record # bug fix: draw picking in multimodel context causes null pointer exception # bug fix: WRITE MO does not work when no current MO is present Modified: branches/v11_6/Jmol/src/org/jmol/viewer/StateManager.java =================================================================== --- branches/v11_6/Jmol/src/org/jmol/viewer/StateManager.java 2009-07-08 02:32:29 UTC (rev 11188) +++ branches/v11_6/Jmol/src/org/jmol/viewer/StateManager.java 2009-07-08 02:34:58 UTC (rev 11189) @@ -628,7 +628,7 @@ float pointGroupDistanceTolerance = 0.2f; float pointGroupLinearTolerance = 8.0f; String propertyColorScheme = "roygb"; - String quaternionFrame = "c"; + String quaternionFrame = "p"; float solventProbeRadius = 1.2f; int scriptDelay = 0; boolean selectAllModels = true; This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |