Bob,
I have some questions about src/org/jmol/adapter/smarter/Symmetry.java ...
You are allocating some objects of type Point4f. As far as I can tell, the
4th parameter is set to 1 and is never used ... so, it seems to me that
Point3f would be sufficient. Point4f objects are not used anywhere else in
Jmol.
Q: Is there any reason why you used Point4f objects in Symmetry.java?
Regarding the method isUnityOperation ...
It is not called from anyplace. There is a comment that says:
// unused -- it's best to leave x,y,z in there.
I have doubts as to whether or not this routine would even work as
intended, given the general problems of doing equality comparisons with
floating point numbers. That is, in the general case I believe that there
will be situations in which
temp.equals(temp2)
will return 'false' when the actual (symbolic) answer is 'true'.
Q: Can we remove this routine?
The method setMatrixFromXYZ is parsing a string.
Q: Is there a URL reference that we can introduce that documents the
syntax for this string?
Miguel
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