I've just checked in something like this, which also takes into account
the possibility that the offset is not {0,0,0} and that the unitcell box
should not over-draw the axes.
It's unfortunate that the default axesScale has to be 2.0 -- it DOES --
so that unitcell axes scales have to be given in units of a/2, b/2, c/2,
but that's the way it is, I guess.
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
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