Coverage report: 63%

Files Functions Classes

coverage.py v7.12.0, created at 2025-12-03 18:45 +0000

File   statements missing excluded   coverage
mddb_workflow / __init__.py   19 8 0   58%
mddb_workflow / __main__.py   3 3 0   0%
mddb_workflow / analyses / __init__.py   0 0 0   100%
mddb_workflow / analyses / area_per_lipid.py   66 20 0   70%
mddb_workflow / analyses / channels.py   48 2 0   96%
mddb_workflow / analyses / clusters.py   129 6 0   95%
mddb_workflow / analyses / density.py   57 24 0   58%
mddb_workflow / analyses / dihedral_energies.py   49 42 0   14%
mddb_workflow / analyses / distance_per_residue.py   66 54 0   18%
mddb_workflow / analyses / energies.py   368 337 0   8%
mddb_workflow / analyses / helical_parameters.py   474 55 0   88%
mddb_workflow / analyses / hydrogen_bonds.py   108 17 0   84%
mddb_workflow / analyses / lipid_interactions.py   77 39 0   49%
mddb_workflow / analyses / lipid_order.py   111 23 0   79%
mddb_workflow / analyses / markov.py   60 50 0   17%
mddb_workflow / analyses / markov_2.py   50 50 0   0%
mddb_workflow / analyses / nassa.py   686 609 0   11%
mddb_workflow / analyses / pca.py   72 8 0   89%
mddb_workflow / analyses / pca_contacts.py   62 62 0   0%
mddb_workflow / analyses / pockets.py   247 26 0   89%
mddb_workflow / analyses / rgyr.py   27 2 0   93%
mddb_workflow / analyses / rmsd_check.py   226 165 0   27%
mddb_workflow / analyses / rmsd_pairwise.py   49 8 0   84%
mddb_workflow / analyses / rmsd_per_residue.py   32 2 0   94%
mddb_workflow / analyses / rmsds.py   57 2 0   96%
mddb_workflow / analyses / rmsf.py   19 3 0   84%
mddb_workflow / analyses / sasa.py   68 7 0   90%
mddb_workflow / analyses / thickness.py   53 20 0   62%
mddb_workflow / analyses / tmscores.py   47 2 0   96%
mddb_workflow / console.py   320 75 0   77%
mddb_workflow / core / dataset.py   188 168 0   11%
mddb_workflow / mwf.py   1155 243 0   79%
mddb_workflow / resources / covid_variants.py   1 0 0   100%
mddb_workflow / tools / __init__.py   2 0 0   100%
mddb_workflow / tools / chains.py   127 74 0   42%
mddb_workflow / tools / check_inputs.py   157 66 0   58%
mddb_workflow / tools / conversions.py   91 19 0   79%
mddb_workflow / tools / filter_atoms.py   132 83 0   37%
mddb_workflow / tools / fix_gromacs_masses.py   8 0 0   100%
mddb_workflow / tools / generate_map.py   493 213 0   57%
mddb_workflow / tools / generate_metadata.py   95 18 0   81%
mddb_workflow / tools / generate_pdb_references.py   85 41 0   52%
mddb_workflow / tools / generate_topology.py   44 4 0   91%
mddb_workflow / tools / get_atoms_count.py   38 0 0   100%
mddb_workflow / tools / get_bonds.py   180 46 0   74%
mddb_workflow / tools / get_box_size.py   15 0 0   100%
mddb_workflow / tools / get_charges.py   69 24 0   65%
mddb_workflow / tools / get_first_frame.py   4 0 0   100%
mddb_workflow / tools / get_inchi_keys.py   138 52 0   62%
mddb_workflow / tools / get_ligands.py   434 139 0   68%
mddb_workflow / tools / get_lipids.py   53 7 0   87%
mddb_workflow / tools / get_pdb_frames.py   31 0 0   100%
mddb_workflow / tools / get_reduced_trajectory.py   23 9 0   61%
mddb_workflow / tools / get_screenshot.py   206 27 0   87%
mddb_workflow / tools / guess_and_filter.py   40 29 0   28%
mddb_workflow / tools / image_and_fit.py   66 56 0   15%
mddb_workflow / tools / membrane_mapping.py   120 25 0   79%
mddb_workflow / tools / nassa_base.py   75 55 0   27%
mddb_workflow / tools / nassa_loaders.py   62 31 0   50%
mddb_workflow / tools / process_input_files.py   185 58 0   69%
mddb_workflow / tools / process_interactions.py   139 40 0   71%
mddb_workflow / tools / provenance.py   28 19 0   32%
mddb_workflow / tools / remove_trash.py   10 0 0   100%
mddb_workflow / tools / residue_mapping.py   62 14 0   77%
mddb_workflow / tools / structure_corrector.py   156 61 0   61%
mddb_workflow / tools / xvg_parse.py   15 0 0   100%
mddb_workflow / utils / __init__.py   0 0 0   100%
mddb_workflow / utils / arg_cksum.py   39 5 0   87%
mddb_workflow / utils / auxiliar.py   343 97 0   72%
mddb_workflow / utils / bibitransformer_nassa.py   66 56 0   15%
mddb_workflow / utils / cache.py   30 8 0   73%
mddb_workflow / utils / constants.py   159 8 0   95%
mddb_workflow / utils / database.py   180 61 0   66%
mddb_workflow / utils / file.py   129 21 0   84%
mddb_workflow / utils / filters.py   86 34 0   60%
mddb_workflow / utils / formats.py   198 49 0   75%
mddb_workflow / utils / gmx_spells.py   230 108 0   53%
mddb_workflow / utils / heatmaps_nassa.py   337 321 0   5%
mddb_workflow / utils / httpsf.py   61 61 0   0%
mddb_workflow / utils / mda_spells.py   50 20 0   60%
mddb_workflow / utils / mdt_spells.py   158 125 0   21%
mddb_workflow / utils / nassa_file.py   77 69 0   10%
mddb_workflow / utils / nucleicacid.py   73 26 0   64%
mddb_workflow / utils / pyt_spells.py   70 30 0   57%
mddb_workflow / utils / register.py   54 18 0   67%
mddb_workflow / utils / selections.py   79 10 0   87%
mddb_workflow / utils / structures.py   1746 286 0   84%
mddb_workflow / utils / subsets.py   34 9 0   74%
mddb_workflow / utils / tasks.py   178 22 0   88%
mddb_workflow / utils / topologies.py   112 5 0   96%
mddb_workflow / utils / type_hints.py   3 0 10   100%
mddb_workflow / utils / vmd_spells.py   292 62 0   79%
Total   13161 4853 10   63%

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