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[r26261] by tlinnet

Inserted a z_axis limit for the plotting of 2D surfaces in matplotlib.

2014-10-13 16:19:34 Tree
[r26260] by tlinnet

Fix for testing the raise of expected errors in systemtests.

The systemtest will not be tested, if python version is under version 2.7.

Bug #22801 (https://gna.org/bugs/?22801): Failure of the relax test suite on Python 2.5.

2014-10-13 15:19:00 Tree
[r26259] by tlinnet

Removal the use of OrderecDict().

OrderedDict is first available in python 2.7, and is not essential functionality.

The functionality is replaced with looping over a list of dictionary keys instead, which is picked up under analysis.

Bug #22798 (https://gna.org/bugs/?22798): Failure of relax to start due to an OrderedDict ImportError on Python 2.6 and earlier.

2014-10-13 15:18:58 Tree
[r26258] by tlinnet

Added the write out of a matplotlib command file, to plot surfaces of a dx map.

It uses the minimum chi2 value in the map space, to define surface defitions.

It creates a X,Y; X,Z; Y,Z map, where the values in the missing dimension has been cut at the minimum chi2 value.
For each map, it creates a projected 3d map of the parameters and the chi2 value, and a heat map for the contours.

It also scatters the minimum chi2 value, the 4 smallest chi2 values, and maps any points in the point file, to a scatter point.

Mapping the points from file to map points, is done by finding the shortest Euclidean distance in the space from the points to any map points.

2014-10-13 15:18:56 Tree
[r26257] by tlinnet

Added check to systemtest Relax_disp.test_cpmg_synthetic_dx_map_points() for the creation of a matplotlib surface command plot file.

2014-10-13 15:18:50 Tree
[r26256] by bugman

The devel_scripts/python_multiversion_test_suite.py script now runs relax with the --time flag.

This is for quicker identification of failure points. It will also force the sys.stdout buffer to
be flushed more often on Python 2.5 so that it does not appear as if the tests have frozen.

2014-10-13 14:30:13 Tree
[r26255] by bugman

Updated the Palmer.test_palmer_omp system test for the 64-bit Linux Modelfree 4.20 GCC binary file.

This fixes the second part and last part of the bug #22772 (https://gna.org/bugs/?22772), the
modelfree4 binary issue and the User_functions GUI tests with wxPython 2.9 failures of the test
suite.

The problem is that the 64-bit GNU/Linux GCC compiled binary of Modelfree 4.20 produces different
results as previous versions. These are now caught by the system test and correctly checked.

2014-10-13 13:16:28 Tree
[r26254] by bugman

Fix for the poorly written User_functions.test_structure_add_atom GUI test.

This fixes one part of 2 of the bug #22772 (https://gna.org/bugs/?22772), the modelfree4 binary
issue and the User_functions GUI tests with wxPython 2.9 failures of the test suite.

The problem was that a list element was being set in the GUI test, but that element did not exist
yet. Somehow this worked in wxPython 2.8. But the bad code failed on wxPython 2.9.

2014-10-13 12:25:26 Tree
[r26253] by bugman

Improved the feedback in the User_functions.test_structure_add_atom system test.

It is now clearer what the input and output data is.

2014-10-13 12:11:03 Tree
[r26252] by tlinnet

When issuing dx.map() function with points, implemented the writing out of parameter file, with associated calculated chi2 values.

2014-10-13 09:48:05 Tree
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