markovmodel / PyEMMA

🚂 Python API for Emma's Markov Model Algorithms 🚂
http://pyemma.org
GNU Lesser General Public License v3.0
311 stars 119 forks source link

[coordinates/source] do not probe h5 file for mdtraj.HDF5TrajectoryFile #1378

Closed marscher closed 6 years ago

marscher commented 6 years ago

The exception triggering and catching was too broad/unspecific to be triggered in certain cases.

Now we just check, if the user wants to read MD data by checking if either a topology or a featurizer has been given.

codecov[bot] commented 6 years ago

Codecov Report

Merging #1378 into devel will decrease coverage by 0.01%. The diff coverage is 94.33%.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel    #1378      +/-   ##
==========================================
- Coverage   91.73%   91.71%   -0.02%     
==========================================
  Files         223      223              
  Lines       25244    25271      +27     
==========================================
+ Hits        23157    23178      +21     
- Misses       2087     2093       +6
Impacted Files Coverage Δ
pyemma/coordinates/data/feature_reader.py 95.21% <100%> (ø) :arrow_up:
pyemma/coordinates/tests/test_readers.py 99.05% <100%> (+0.03%) :arrow_up:
pyemma/coordinates/data/util/reader_utils.py 89.18% <90%> (-1.08%) :arrow_down:
pyemma/coordinates/tests/test_source.py 98.46% <95.83%> (-0.62%) :arrow_down:
...emma/_ext/variational/solvers/tests/test_direct.py 89.13% <0%> (-8.7%) :arrow_down:

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 9166c92...cdac35e. Read the comment docs.

marscher commented 6 years ago

Thanks for reviewing!