Re: [Jmol-developers] Correction to Axes.java code...

[Bob H. <ha...@st...>]

oh -- that's for 11.3.8 only, not 11.2.8, as this is not a bug fix. (Or 
is it?)

Bob

pim schravendijk wrote:

>"axes scale ..." did not work for the "axes unitcell" option. This is
>a desired option, however, especially when using a lot of periodic
>images of the lattice, where the axis system gets lost in the center,
>but the axes should keep the vectors and base coordinates of the main
>lattice.
>
>My suggestion:
>
>Index: src/org/jmol/shape/Axes.java
>===================================================================
>--- src/org/jmol/shape/Axes.java        (revision 8017)
>+++ src/org/jmol/shape/Axes.java        (working copy)
>@@ -64,6 +64,12 @@
>       axisPoints[0].add(offset, vectors[4]);
>       axisPoints[1].add(offset, vectors[2]);
>       axisPoints[2].add(offset, vectors[1]);
>+      // UnitCell should not use setScale as it has only 3 axisPoints
>+      for (int i = 3; --i >= 0;) {
>+        axisPoints[i].x *= viewer.getAxesScale()/2.0;
>+        axisPoints[i].y *= viewer.getAxesScale()/2.0;
>+        axisPoints[i].z *= viewer.getAxesScale()/2.0;
>+      }
>       return;
>     } else if (axesMode == JmolConstants.AXES_MODE_MOLECULAR) {
>       originPoint.set(0, 0, 0);
>
>This is tested for tetragonal, orthorhombic and rhombohedral unit cells.
>
>Now if I would like to put this back to the SVN system, can I use the
>info written in
>http://wiki.jmol.org/index.php/Release_Procedures#Release_build? Some
>of the text there seems not to fit, e.g.:
>
>What is the preferred text to use as the commit message?
>the  page says: svn commit -m "prerelease 10.3.1", but I wouldn't know
>on what prerelease I would be working.
>Also the svn copy commands don't seem to apply to my case.
>
>Any help is appreciated!
>
>  
>


-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get. 

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900