From: <ha...@us...> - 2011-08-05 02:29:35
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Revision: 15938 http://jmol.svn.sourceforge.net/jmol/?rev=15938&view=rev Author: hansonr Date: 2011-08-05 02:29:28 +0000 (Fri, 05 Aug 2011) Log Message: ----------- Modified Paths: -------------- trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java trunk/Jmol/src/org/jmol/viewer/JmolConstants.java Modified: trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java =================================================================== --- trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2011-08-05 02:19:15 UTC (rev 15937) +++ trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2011-08-05 02:29:28 UTC (rev 15938) @@ -9230,28 +9230,15 @@ String type = optParameterAsString(pt).toLowerCase(); Point3f minXYZ = null; Point3f maxXYZ = null; - int plotType = 0; int tok = tokAt(pt0, args); if (tok == Token.string) tok = Token.getTokFromName((String) args[pt0].value); switch (tok) { - case Token.quaternion: - case Token.helix: - plotType = JmolConstants.JMOL_DATA_QUATERNION; - break; - case Token.ramachandran: - plotType = JmolConstants.JMOL_DATA_RAMACHANDRAN; - break; - case Token.property: - plotType = JmolConstants.JMOL_DATA_OTHER; - iToken = pt0 + 1; - break; default: iToken = 1; error(ERROR_invalidArgument); - } - switch (plotType) { - case JmolConstants.JMOL_DATA_OTHER: + case Token.property: + iToken = pt0 + 1; if (!Token.tokAttr(propertyX = tokAt(iToken++), Token.atomproperty) || !Token.tokAttr(propertyY = tokAt(iToken++), Token.atomproperty)) error(ERROR_invalidArgument); @@ -9274,7 +9261,7 @@ bs = viewer.getModelUndeletedAtomsBitSet(modelIndex); stateScript = "select " + Escape.escape(bs) + ";\n "; break; - case JmolConstants.JMOL_DATA_RAMACHANDRAN: + case Token.ramachandran: if (type.equalsIgnoreCase("draw")) { isDraw = true; type = optParameterAsString(--pt).toLowerCase(); @@ -9283,7 +9270,8 @@ type = "ramachandran" + (isRamachandranRelative ? " r" : "") + (tokCmd == Token.draw ? " draw" : ""); break; - case JmolConstants.JMOL_DATA_QUATERNION: + case Token.quaternion: + case Token.helix: qFrame = " \"" + viewer.getQuaternionFrame() + "\""; stateScript = "set quaternionFrame" + qFrame + ";\n "; isQuaternion = true; @@ -9336,7 +9324,7 @@ float[] dataX = null, dataY = null, dataZ = null; Point3f factors = new Point3f(1, 1, 1); - if (plotType == JmolConstants.JMOL_DATA_OTHER) { + if (tok == Token.property) { dataX = getBitsetPropertyFloat(bs, propertyX | Token.selectedfloat, (minXYZ == null ? Float.NaN : minXYZ.x), (maxXYZ == null ? Float.NaN : maxXYZ.x)); @@ -9420,15 +9408,15 @@ return ""; int modelCount = viewer.getModelCount(); viewer.setJmolDataFrame(stateScript, modelIndex, modelCount - 1); - if (plotType != JmolConstants.JMOL_DATA_OTHER) + if (tok != Token.property) stateScript += ";\n" + preSelected; StateScript ss = viewer.addStateScript(stateScript, true, false); // get post-processing script String script; - switch (plotType) { - case -1: + switch (tok) { + case Token.property: viewer.setFrameTitle(modelCount - 1, type + " plot for model " + viewer.getModelNumberDotted(modelIndex)); float f = 3; @@ -9443,7 +9431,7 @@ + " {-100 -100 100} {-100 -100 -100} \"" + Token.nameOf(propertyZ) + "\";"; break; - case JmolConstants.JMOL_DATA_RAMACHANDRAN: + case Token.ramachandran: default: viewer.setFrameTitle(modelCount - 1, "ramachandran plot for model " + viewer.getModelNumberDotted(modelIndex)); @@ -9452,7 +9440,8 @@ + "draw ramaAxisX" + modelCount + " {100 0 0} {-100 0 0} \"phi\";" + "draw ramaAxisY" + modelCount + " {0 100 0} {0 -100 0} \"psi\";"; break; - case JmolConstants.JMOL_DATA_QUATERNION: + case Token.quaternion: + case Token.helix: viewer.setFrameTitle(modelCount - 1, type.replace('w', ' ') + qFrame + " for model " + viewer.getModelNumberDotted(modelIndex)); String color = (Graphics3D Modified: trunk/Jmol/src/org/jmol/viewer/JmolConstants.java =================================================================== --- trunk/Jmol/src/org/jmol/viewer/JmolConstants.java 2011-08-05 02:19:15 UTC (rev 15937) +++ trunk/Jmol/src/org/jmol/viewer/JmolConstants.java 2011-08-05 02:29:28 UTC (rev 15938) @@ -105,10 +105,10 @@ public final static int FILE_STATUS_MODELSET_CREATED = 3; public final static int FILE_STATUS_MODELS_DELETED = 5; - public final static int JMOL_DATA_OTHER = -1; - public final static int JMOL_DATA_RAMACHANDRAN = 0; - public final static int JMOL_DATA_QUATERNION = 1; - + public static final String LOAD_ATOM_DATA_TYPES = "xyz;vxyz;vibration;temperature;occupancy;partialcharge"; + + public final static float radiansPerDegree = (float) (Math.PI / 180); + public static final String allowedQuaternionFrames = "RC;RP;a;b;c;n;p;q;x;"; //note: Eval.write() processing requires drivers to be first-letter-capitalized. @@ -2322,10 +2322,6 @@ } } - public static final String LOAD_ATOM_DATA_TYPES = "xyz;vxyz;vibration;temperature;occupancy;partialcharge"; - public final static float radiansPerDegree = (float) (Math.PI / 180); - - } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |