[GSAS-II] unit test for GSASIIspc.MoveToUnitCell() function

[Mark Wolf]

Your website encourages user contributions so hopefully I'm sending this
to the right place. I was poking at your unit tests the other day and
one of them failed, namely those for the GSASIIspc.MoveToUnitCell
function when passing a regular python list instead of a numpy array:

    Traceback (most recent call last):
      File "unit_tests.py", line 35, in <module>
        test_GSASIIspc()
      File "unit_tests.py", line 25, in test_GSASIIspc
        test()
      File "/home/mwolf/src/pyGSAS/GSASIIspc.py", line 3079, in test0
        assert (MoveToUnitCell([1,2,3])[0] == [0,0,0]).all, msg
      File "/home/mwolf/src/pyGSAS/GSASIIspc.py", line 1065, in
MoveToUnitCell
        XYZ = (xyz+10.)%1.
    TypeError: can only concatenate list (not "float") to list

I fixed it with some exception handling using list comprehension as a
fallback if numpy arithmetic fails. Diff can be found at
https://gist.github.com/m3wolf/b13423db18df04eb4c21

In case this is speed-sensitive, here are the profiling results using
IPython's %timeit magic:

- Original (numpy array): 2.81 us per loop
- New (numpy array): 2.98 us per loop
- New (native list): 2.46 us per loop

If the extra 15us is too much, then maybe you want to consider removing
the unit test that uses a native list (line 3079).

If you want to use my patch, I license it (and any future contributions)
for use under the license included with the pyGSAS (GSAS-II) source code.

Cheers,
Mark

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