New python test scripts for workflow elements
In this merge request, I have introduced 4 new tests:
-
TestPeakFinder.py
: this is to some extent redundant, but is a necessary part of testing the new workflow. Tests that the peak finder gets the right number of peaks. -
TestAutoIndexer.py
: checks the indexing part of the workflow, specifically the correctness of the unit cell found. -
TestExperimentFileIO.py
: Tests theExperimentImporter
andExperimentExporter
classes by loading a HDF5 file, saving it, reloading and checking that the saved elements (PeakCollection
s,UnitCell
s andDataSet
s) are the same. -
TestPrediction.py
: Checks that the size of the shape library and number of predicted peaks are the same. Note that the data set is very small, and therefore unphysical. I recommend that this is tested more rigorously using a full data set.\
These tests use the unittest
module of python, but play well with ctest, since the individual tests can be invoked using ctest -R TestPrediction.py
for example, in the build directory.
The datafiles for these tests from the FutA data set are in both .tiff
format and intermediate HDF5 (*.nsx
). They are stored in test/python/data
.
Edited by Raza, Zamaan