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muesr's Issues

Multiple Propagation Vector

Hi,

The examples shown in the documentation use a single propagation vector.
However the material I am studying has two suggested propagation vectors: q_1 = (½, ½, 1/6 or 1/3) and q_2 = (½, ½, ½ or 0).

Is it possible to define multiple propagation vectors simultaneously for the same structure in muesr?

Thank you

Problem reading CIF files on windows

Reported by Claire Wilde and Anthony Lim.

ValueError: C:\Users\XXXXXXXX\work\shared\examples\MnSi\MnSi.cif:18: Unexpected CIF file entry: "or_name"
at line 34 in 'C:/Users/XXXXXXXX/work/shared/examples/MnSi/run_example.py'
caused by line 47 in 'C:\Users\XXXXXXXX\AppData\Roaming\Python\Python27\site-packages\muesr\i_o\cif\cif.py'
caused by line 474 in 'C:\Users\XXXXXXXX\AppData\Roaming\Python\Python27\site-packages\muesr\i_o\cif\cif.py'
caused by line 369 in 'C:\Users\XXXXXXXX\AppData\Roaming\Python\Python27\site-packages\muesr\i_o\cif\cif.py'
caused by line 351 in 'C:\Users\XXXXXXXX\AppData\Roaming\Python\Python27\site-packages\muesr\i_o\cif\cif.py'
caused by line 342 in 'C:\Users\XXXXXXXX\AppData\Roaming\Python\Python27\site-packages\muesr\i_o\cif\cif.py'

Errors running setup.py test

I am trying to run setup.py test and I am getting the below errors:

======================================================================
FAIL: test_desc_property (muesr.tests.core.test_magmodel.TestMM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/osboxes/work/Muesr/muesr/muesr/tests/core/test_magmodel.py", line 161, in test_desc_property
    self._mm.desc = 1
AssertionError: TypeError not raised

======================================================================
FAIL: test_desc_property (muesr.tests.core.test_magmodel.TestSMM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/osboxes/work/Muesr/muesr/muesr/tests/core/test_magmodel.py", line 270, in test_desc_property
    self._smm.desc = 1
AssertionError: TypeError not raised

======================================================================
FAIL: test_mcif3 (muesr.tests.test_muesr.TestMuesr)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/osboxes/work/Muesr/muesr/muesr/tests/test_muesr.py", line 428, in test_mcif3
    np.testing.assert_array_almost_equal(r2[0].C,np.array([13.2372 , -24.4705 , 9.48213]),decimal=4)
  File "/home/osboxes/.local/lib/python2.7/site-packages/numpy/testing/utils.py", line 979, in assert_array_almost_equal
    precision=decimal)
  File "/home/osboxes/.local/lib/python2.7/site-packages/numpy/testing/utils.py", line 796, in assert_array_compare
    raise AssertionError(msg)
AssertionError: 
Arrays are not almost equal to 4 decimals

(mismatch 100.0%)
 x: array([ -8.7551,  16.1849,  -6.2715])
 y: array([ 13.2372, -24.4705,   9.4821])

----------------------------------------------------------------------
Ran 80 tests in 2.987s

FAILED (failures=3, errors=1)

I have tried with both python 2 and 3. I have installed all of the packages from http://muesr.readthedocs.io/en/latest/Install.html and running on Ubuntu 16.04.

I can install the code without a problem, I am just concerned about the tests failing. I was wondering if there were any additional packages that may have been missed from the documentation or if it is the operating system.

Thanks,
Anthony

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