[Jmol-commits] SF.net SVN: jmol:[22674] trunk/Jmol

[<ha...@us...>]

Revision: 22674
          http://sourceforge.net/p/jmol/code/22674
Author:   hansonr
Date:     2025-07-21 19:08:33 +0000 (Mon, 21 Jul 2025)
Log Message:
-----------
Jmol.___JmolVersion="16.3.31" // (legacy) also 16.3.32 (swingJS) 

bug fix: incommensurately modulated magnetic CIF file reading issues

bug fix: COMPARE failing
 -- for example:
        load "=3HG5";
        compare {*:A or :C} {*:B or :D} SUBSET{*.CA} ATOMS ROTATE TRANSLATE 2.0;

bug fix: {a}.distance.min({b}) not working
 -- for example:
        load "=3HG5"
        compare {*:A or :C} {*:B or :D} SUBSET{*.CA} ATOMS ROTATE TRANSLATE 2.0
        x= {:A.CA}.distance.min({:B.CA})
        {:A.CA}.property_d = x
        {:B.CA}.property_d = x
        color property_d
        backbone -0.3
    
new feature: set defaultDrawArrowScale -x.x
 -- negative value scales the arrow head width instead of length
 
 -- for example:
      draw width 0.2 vector {0 0 0} {1 1 1};
      set defaultDrawArrowScale -0.67;
 

Modified Paths:
--------------
    trunk/Jmol/appletweb/jsmol.zip
    trunk/Jmol/src/org/jmol/script/ScriptExpr.java
    trunk/Jmol/src/org/jmol/viewer/Jmol.properties

Modified: trunk/Jmol/appletweb/jsmol.zip
===================================================================
(Binary files differ)

Modified: trunk/Jmol/src/org/jmol/script/ScriptExpr.java
===================================================================
--- trunk/Jmol/src/org/jmol/script/ScriptExpr.java	2025-07-21 17:58:36 UTC (rev 22673)
+++ trunk/Jmol/src/org/jmol/script/ScriptExpr.java	2025-07-21 19:08:33 UTC (rev 22674)
@@ -478,7 +478,8 @@
         }
         SV var = getBitsetPropertySelector(i + 1, rpn.getXTok());
         // check for added min/max modifier
-        boolean isUserFunction = (var.intValue == T.function);
+        int tok1 = var.intValue;
+        boolean isUserFunction = (tok1 == T.function);
         boolean allowMathFunc = true;
         int tok2 = tokAt(iToken + 2);
         if (tokAt(iToken + 1) == T.per) {
@@ -496,12 +497,15 @@
           case T.sum2:
           case T.average:
             // .pivot  but not .pivot()
-            allowMathFunc = (isUserFunction || var.intValue == T.distance
-                || tok2 == T.minmaxmask || tok2 == T.selectedfloat || tok2 == T.pivot);
+            allowMathFunc = (isUserFunction 
+            		|| tok1 == T.distance
+                    || tok2 == T.minmaxmask 
+                    || tok2 == T.selectedfloat 
+                    || tok2 == T.pivot);
             var.intValue |= tok2 & T.minmaxmask;
             getToken(iToken + 2);
-            if (tokAt(iToken + 1) == T.leftparen) {
-              // .pivot()
+            if (tokAt(iToken + 1) == T.leftparen && tok1 != T.distance) {
+              // .pivot(), .distance()
               iToken += 2;
             }
           }

Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties	2025-07-21 17:58:36 UTC (rev 22673)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties	2025-07-21 19:08:33 UTC (rev 22674)
@@ -56,15 +56,29 @@
 Jmol.___JmolVersion="16.3.31" // (legacy) also 16.3.32 (swingJS) 
 
 bug fix: incommensurately modulated magnetic CIF file reading issues
+
 bug fix: COMPARE failing
- - example:
-    load "=3HG5";
-    compare {*:A} {*:B} SUBSET{*.CA} ATOMS{protein}{protein} ROTATE TRANSLATE 2.0;
+ -- for example:
+        load "=3HG5";
+        compare {*:A or :C} {*:B or :D} SUBSET{*.CA} ATOMS ROTATE TRANSLATE 2.0;
+
+bug fix: {a}.distance.min({b}) not working
+ -- for example:
+        load "=3HG5"
+        compare {*:A or :C} {*:B or :D} SUBSET{*.CA} ATOMS ROTATE TRANSLATE 2.0
+        x= {:A.CA}.distance.min({:B.CA})
+        {:A.CA}.property_d = x
+        {:B.CA}.property_d = x
+        color property_d
+        backbone -0.3
     
 new feature: set defaultDrawArrowScale -x.x
- -- negative value scales the arrow head width as well as length
- -- for example, -0.67
+ -- negative value scales the arrow head width instead of length
  
+ -- for example:
+      draw width 0.2 vector {0 0 0} {1 1 1};
+      set defaultDrawArrowScale -0.67;
+ 
 
 JmolVersion="16.3.29" // (legacy) also 16.3.30 (swingJS) 
 

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