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test_amber_integration
test_amber_integration
 
 
test_analysis
test_analysis
 
 
test_dataset
test_dataset
 
 
test_decorator
test_decorator
 
 
test_energy
test_energy
 
 
test_external_loading
test_external_loading
 
 
test_extra
test_extra
 
 
test_frame
test_frame
 
 
test_github_issues
test_github_issues
 
 
test_io
test_io
 
 
test_iterator
test_iterator
 
 
test_load
test_load
 
 
test_math
test_math
 
 
test_parallel_mpi
test_parallel_mpi
 
 
test_parallel_pmap
test_parallel_pmap
 
 
test_speed
test_speed
 
 
test_tools
test_tools
 
 
test_topology_objects
test_topology_objects
 
 
test_trajectory
test_trajectory
 
 
test_transformation
test_transformation
 
 
.coveragerc
.coveragerc
 
 
CMakeLists.txt
CMakeLists.txt
 
 
Makefile
Makefile
 
 
README.md
README.md
 
 
run_simple_test.py
run_simple_test.py
 
 
template_unittest.py
template_unittest.py
 
 
test_actionlist.py
test_actionlist.py
 
 
test_crdframes.py
test_crdframes.py
 
 
test_createcrd.py
test_createcrd.py
 
 
test_cyutils.py
test_cyutils.py
 
 
test_distance_based_mask.py
test_distance_based_mask.py
 
 
test_do.py
test_do.py
 
 
test_docs.py
test_docs.py
 
 
test_force.py
test_force.py
 
 
test_frame_indices_option.py
test_frame_indices_option.py
 
 
test_known_bugs.py
test_known_bugs.py
 
 
test_pickle.py
test_pickle.py
 
 
test_pipeline.py
test_pipeline.py
 
 
test_progress_bar.py
test_progress_bar.py
 
 
test_read_to_array.py
test_read_to_array.py
 
 
test_reference.py
test_reference.py
 
 
test_run_mpi.py
test_run_mpi.py
 
 
test_segfault.py
test_segfault.py
 
 
test_slice_view.py
test_slice_view.py
 
 
test_timer.py
test_timer.py
 
 
test_to_cpptraj_mask.py
test_to_cpptraj_mask.py
 
 
test_topology.py
test_topology.py
 
 
test_unitcells.py
test_unitcells.py
 
 
test_unstrip.py
test_unstrip.py
 
 
test_visualization.py
test_visualization.py
 
 
utils.py
utils.py
 
 

README.md

  • Run test

    • nosetests --with-coverage --cover-package pytraj -vs .
    • nosetests -vs --processes 4 --process-timeout 200 .
    • nosetests -vs --processes 4 --process-timeout 200 --with-coverage --cover-package pytraj .

  • Format

    • yapf --style pep8 ./tests/py tests//*py pytraj/py pytraj//*py
    • autopep8 -a my_file.py -i
    • eradicate -i my_file.py
    • cython files: autopep8 pytraj/topology.pyx -i --ignore E226,E225,E123 --max-line-length 90 -a -a -a