From: <ha...@us...> - 2010-03-16 18:21:31
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Revision: 12635 http://jmol.svn.sourceforge.net/jmol/?rev=12635&view=rev Author: hansonr Date: 2010-03-16 18:21:15 +0000 (Tue, 16 Mar 2010) Log Message: ----------- # new feature: COMPARE command (was ALIGN) # compare {model1} {model2} [orientations] # compare {model1} {model2} [orientations] {bsAtoms1} {bsAtoms2} # compare {model1} {model2} atoms {bsAtoms1} {bsAtoms2} # compare {model1} {model2} [orientations] [quaternionList1] [quaternionList2] # additional options ROTATE and/or TRANSLATE Modified Paths: -------------- trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java Modified: trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java =================================================================== --- trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2010-03-16 14:59:06 UTC (rev 12634) +++ trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2010-03-16 18:21:15 UTC (rev 12635) @@ -5697,14 +5697,14 @@ // compare {model1} {model2} [orientations] {bsAtoms1} {bsAtoms2} // compare {model1} {model2} atoms {bsAtoms1} {bsAtoms2} // compare {model1} {model2} [orientations] [quaternionList1] [quaternionList2] + boolean isQuaternion = true; + boolean doRotate = false; + boolean doTranslate = false; + Quaternion[] data1 = null, data2 = null; BitSet bsFrom = expression(1); BitSet bsTo = expression(++iToken); BitSet bsAtoms1 = bsFrom; BitSet bsAtoms2 = bsTo; - boolean isQuaternion = true; - boolean doRotate = false; - boolean doTranslate = false; - Quaternion[] data1 = null, data2 = null; for (int i = iToken + 1; i < statementLength; ++i) { switch (getToken(i).tok) { case Token.bitset: @@ -5720,14 +5720,14 @@ isQuaternion = true; if (data1 == null) data1 = ScriptMathProcessor - .getQuaternionArray((Object[]) getToken(iToken).value); + .getQuaternionArray((Object[]) theToken.value); else if (data2 == null) data2 = ScriptMathProcessor - .getQuaternionArray((Object[]) getToken(++iToken).value); + .getQuaternionArray((Object[]) theToken.value); else error(ERROR_invalidArgument); break; - case Token.quaternion: + case Token.orientation: isQuaternion = true; break; case Token.atoms: This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |