| mddb_workflow / __init__.py |
(no class) |
|
19 |
8 |
0 |
|
58% |
| mddb_workflow / __main__.py |
(no class) |
|
3 |
3 |
0 |
|
0% |
| mddb_workflow / analyses / __init__.py |
(no class) |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / analyses / area_per_lipid.py |
(no class) |
|
66 |
20 |
0 |
|
70% |
| mddb_workflow / analyses / channels.py |
(no class) |
|
48 |
2 |
0 |
|
96% |
| mddb_workflow / analyses / clusters.py |
(no class) |
|
129 |
6 |
0 |
|
95% |
| mddb_workflow / analyses / density.py |
(no class) |
|
57 |
24 |
0 |
|
58% |
| mddb_workflow / analyses / dihedral_energies.py |
(no class) |
|
49 |
42 |
0 |
|
14% |
| mddb_workflow / analyses / distance_per_residue.py |
(no class) |
|
66 |
54 |
0 |
|
18% |
| mddb_workflow / analyses / energies.py |
(no class) |
|
368 |
337 |
0 |
|
8% |
| mddb_workflow / analyses / helical_parameters.py |
(no class) |
|
474 |
55 |
0 |
|
88% |
| mddb_workflow / analyses / hydrogen_bonds.py |
(no class) |
|
108 |
17 |
0 |
|
84% |
| mddb_workflow / analyses / lipid_interactions.py |
(no class) |
|
77 |
39 |
0 |
|
49% |
| mddb_workflow / analyses / lipid_order.py |
(no class) |
|
111 |
23 |
0 |
|
79% |
| mddb_workflow / analyses / markov.py |
(no class) |
|
60 |
50 |
0 |
|
17% |
| mddb_workflow / analyses / markov_2.py |
(no class) |
|
50 |
50 |
0 |
|
0% |
| mddb_workflow / analyses / nassa.py |
BasePairCorrelation |
|
90 |
90 |
0 |
|
0% |
| mddb_workflow / analyses / nassa.py |
BConformations |
|
74 |
74 |
0 |
|
0% |
| mddb_workflow / analyses / nassa.py |
CoordinateCorrelation |
|
89 |
89 |
0 |
|
0% |
| mddb_workflow / analyses / nassa.py |
CoordinateDistributions |
|
115 |
115 |
0 |
|
0% |
| mddb_workflow / analyses / nassa.py |
StiffnessDistributions |
|
124 |
124 |
0 |
|
0% |
| mddb_workflow / analyses / nassa.py |
(no class) |
|
194 |
117 |
0 |
|
40% |
| mddb_workflow / analyses / pca.py |
(no class) |
|
72 |
8 |
0 |
|
89% |
| mddb_workflow / analyses / pca_contacts.py |
(no class) |
|
62 |
62 |
0 |
|
0% |
| mddb_workflow / analyses / pockets.py |
(no class) |
|
247 |
26 |
0 |
|
89% |
| mddb_workflow / analyses / rgyr.py |
(no class) |
|
27 |
2 |
0 |
|
93% |
| mddb_workflow / analyses / rmsd_check.py |
(no class) |
|
226 |
165 |
0 |
|
27% |
| mddb_workflow / analyses / rmsd_pairwise.py |
(no class) |
|
49 |
8 |
0 |
|
84% |
| mddb_workflow / analyses / rmsd_per_residue.py |
(no class) |
|
32 |
2 |
0 |
|
94% |
| mddb_workflow / analyses / rmsds.py |
(no class) |
|
57 |
2 |
0 |
|
96% |
| mddb_workflow / analyses / rmsf.py |
(no class) |
|
19 |
3 |
0 |
|
84% |
| mddb_workflow / analyses / sasa.py |
(no class) |
|
68 |
7 |
0 |
|
90% |
| mddb_workflow / analyses / thickness.py |
(no class) |
|
53 |
20 |
0 |
|
62% |
| mddb_workflow / analyses / tmscores.py |
(no class) |
|
47 |
2 |
0 |
|
96% |
| mddb_workflow / console.py |
CustomHelpFormatter |
|
43 |
1 |
0 |
|
98% |
| mddb_workflow / console.py |
CustomArgumentParser |
|
16 |
0 |
0 |
|
100% |
| mddb_workflow / console.py |
custom |
|
3 |
3 |
0 |
|
0% |
| mddb_workflow / console.py |
(no class) |
|
258 |
71 |
0 |
|
72% |
| mddb_workflow / core / dataset.py |
Dataset |
|
168 |
168 |
0 |
|
0% |
| mddb_workflow / core / dataset.py |
(no class) |
|
20 |
0 |
0 |
|
100% |
| mddb_workflow / mwf.py |
MD |
|
369 |
117 |
0 |
|
68% |
| mddb_workflow / mwf.py |
Project |
|
378 |
98 |
0 |
|
74% |
| mddb_workflow / mwf.py |
(no class) |
|
408 |
28 |
0 |
|
93% |
| mddb_workflow / resources / covid_variants.py |
(no class) |
|
1 |
0 |
0 |
|
100% |
| mddb_workflow / tools / __init__.py |
(no class) |
|
2 |
0 |
0 |
|
100% |
| mddb_workflow / tools / chains.py |
(no class) |
|
127 |
74 |
0 |
|
42% |
| mddb_workflow / tools / check_inputs.py |
(no class) |
|
157 |
66 |
0 |
|
58% |
| mddb_workflow / tools / conversions.py |
(no class) |
|
91 |
19 |
0 |
|
79% |
| mddb_workflow / tools / filter_atoms.py |
(no class) |
|
132 |
83 |
0 |
|
37% |
| mddb_workflow / tools / fix_gromacs_masses.py |
(no class) |
|
8 |
0 |
0 |
|
100% |
| mddb_workflow / tools / generate_map.py |
(no class) |
|
493 |
213 |
0 |
|
57% |
| mddb_workflow / tools / generate_metadata.py |
(no class) |
|
95 |
18 |
0 |
|
81% |
| mddb_workflow / tools / generate_pdb_references.py |
(no class) |
|
85 |
41 |
0 |
|
52% |
| mddb_workflow / tools / generate_topology.py |
(no class) |
|
44 |
4 |
0 |
|
91% |
| mddb_workflow / tools / get_atoms_count.py |
(no class) |
|
38 |
0 |
0 |
|
100% |
| mddb_workflow / tools / get_bonds.py |
(no class) |
|
180 |
46 |
0 |
|
74% |
| mddb_workflow / tools / get_box_size.py |
(no class) |
|
15 |
0 |
0 |
|
100% |
| mddb_workflow / tools / get_charges.py |
(no class) |
|
69 |
24 |
0 |
|
65% |
| mddb_workflow / tools / get_first_frame.py |
(no class) |
|
4 |
0 |
0 |
|
100% |
| mddb_workflow / tools / get_inchi_keys.py |
InChIKeyData |
|
9 |
9 |
0 |
|
0% |
| mddb_workflow / tools / get_inchi_keys.py |
(no class) |
|
129 |
43 |
0 |
|
67% |
| mddb_workflow / tools / get_ligands.py |
(no class) |
|
434 |
139 |
0 |
|
68% |
| mddb_workflow / tools / get_lipids.py |
(no class) |
|
53 |
7 |
0 |
|
87% |
| mddb_workflow / tools / get_pdb_frames.py |
(no class) |
|
31 |
0 |
0 |
|
100% |
| mddb_workflow / tools / get_reduced_trajectory.py |
(no class) |
|
23 |
9 |
0 |
|
61% |
| mddb_workflow / tools / get_screenshot.py |
(no class) |
|
206 |
27 |
0 |
|
87% |
| mddb_workflow / tools / guess_and_filter.py |
(no class) |
|
40 |
29 |
0 |
|
28% |
| mddb_workflow / tools / image_and_fit.py |
(no class) |
|
66 |
56 |
0 |
|
15% |
| mddb_workflow / tools / membrane_mapping.py |
(no class) |
|
120 |
25 |
0 |
|
79% |
| mddb_workflow / tools / nassa_base.py |
Base |
|
55 |
55 |
0 |
|
0% |
| mddb_workflow / tools / nassa_base.py |
(no class) |
|
20 |
0 |
0 |
|
100% |
| mddb_workflow / tools / nassa_loaders.py |
(no class) |
|
62 |
31 |
0 |
|
50% |
| mddb_workflow / tools / process_input_files.py |
(no class) |
|
185 |
58 |
0 |
|
69% |
| mddb_workflow / tools / process_interactions.py |
(no class) |
|
139 |
40 |
0 |
|
71% |
| mddb_workflow / tools / provenance.py |
(no class) |
|
28 |
19 |
0 |
|
32% |
| mddb_workflow / tools / remove_trash.py |
(no class) |
|
10 |
0 |
0 |
|
100% |
| mddb_workflow / tools / residue_mapping.py |
(no class) |
|
62 |
14 |
0 |
|
77% |
| mddb_workflow / tools / structure_corrector.py |
(no class) |
|
156 |
61 |
0 |
|
61% |
| mddb_workflow / tools / xvg_parse.py |
(no class) |
|
15 |
0 |
0 |
|
100% |
| mddb_workflow / utils / __init__.py |
(no class) |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / arg_cksum.py |
(no class) |
|
39 |
5 |
0 |
|
87% |
| mddb_workflow / utils / auxiliar.py |
QuietException |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
InputError |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
TestFailure |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
EnvironmentError |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
ToolError |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
RemoteServiceError |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
ForcedStop |
|
0 |
0 |
0 |
|
100% |
| mddb_workflow / utils / auxiliar.py |
NoReferableException |
|
3 |
1 |
0 |
|
67% |
| mddb_workflow / utils / auxiliar.py |
CaptureOutput |
|
22 |
22 |
0 |
|
0% |
| mddb_workflow / utils / auxiliar.py |
(no class) |
|
318 |
74 |
0 |
|
77% |
| mddb_workflow / utils / bibitransformer_nassa.py |
BiBiTransformer |
|
56 |
56 |
0 |
|
0% |
| mddb_workflow / utils / bibitransformer_nassa.py |
(no class) |
|
10 |
0 |
0 |
|
100% |
| mddb_workflow / utils / cache.py |
Cache |
|
19 |
8 |
0 |
|
58% |
| mddb_workflow / utils / cache.py |
(no class) |
|
11 |
0 |
0 |
|
100% |
| mddb_workflow / utils / constants.py |
(no class) |
|
159 |
8 |
0 |
|
95% |
| mddb_workflow / utils / database.py |
Remote |
|
112 |
39 |
0 |
|
65% |
| mddb_workflow / utils / database.py |
Database |
|
36 |
22 |
0 |
|
39% |
| mddb_workflow / utils / database.py |
(no class) |
|
32 |
0 |
0 |
|
100% |
| mddb_workflow / utils / file.py |
File |
|
89 |
21 |
0 |
|
76% |
| mddb_workflow / utils / file.py |
(no class) |
|
40 |
0 |
0 |
|
100% |
| mddb_workflow / utils / filters.py |
(no class) |
|
86 |
34 |
0 |
|
60% |
| mddb_workflow / utils / formats.py |
(no class) |
|
198 |
49 |
0 |
|
75% |
| mddb_workflow / utils / gmx_spells.py |
(no class) |
|
230 |
108 |
0 |
|
53% |
| mddb_workflow / utils / heatmaps_nassa.py |
(no class) |
|
337 |
321 |
0 |
|
5% |
| mddb_workflow / utils / httpsf.py |
FileHandler |
|
32 |
32 |
0 |
|
0% |
| mddb_workflow / utils / httpsf.py |
(no class) |
|
29 |
29 |
0 |
|
0% |
| mddb_workflow / utils / mda_spells.py |
(no class) |
|
50 |
20 |
0 |
|
60% |
| mddb_workflow / utils / mdt_spells.py |
(no class) |
|
158 |
125 |
0 |
|
21% |
| mddb_workflow / utils / nassa_file.py |
(no class) |
|
77 |
69 |
0 |
|
10% |
| mddb_workflow / utils / nucleicacid.py |
NucleicAcid |
|
53 |
26 |
0 |
|
51% |
| mddb_workflow / utils / nucleicacid.py |
(no class) |
|
20 |
0 |
0 |
|
100% |
| mddb_workflow / utils / pyt_spells.py |
(no class) |
|
70 |
30 |
0 |
|
57% |
| mddb_workflow / utils / register.py |
Register |
|
39 |
18 |
0 |
|
54% |
| mddb_workflow / utils / register.py |
(no class) |
|
15 |
0 |
0 |
|
100% |
| mddb_workflow / utils / selections.py |
Selection |
|
55 |
10 |
0 |
|
82% |
| mddb_workflow / utils / selections.py |
(no class) |
|
24 |
0 |
0 |
|
100% |
| mddb_workflow / utils / structures.py |
Atom |
|
110 |
22 |
0 |
|
80% |
| mddb_workflow / utils / structures.py |
Residue |
|
257 |
41 |
0 |
|
84% |
| mddb_workflow / utils / structures.py |
Chain |
|
67 |
9 |
0 |
|
87% |
| mddb_workflow / utils / structures.py |
Structure |
|
1005 |
196 |
0 |
|
80% |
| mddb_workflow / utils / structures.py |
(no class) |
|
307 |
18 |
0 |
|
94% |
| mddb_workflow / utils / subsets.py |
(no class) |
|
34 |
9 |
0 |
|
74% |
| mddb_workflow / utils / tasks.py |
Task |
|
150 |
22 |
0 |
|
85% |
| mddb_workflow / utils / tasks.py |
(no class) |
|
28 |
0 |
0 |
|
100% |
| mddb_workflow / utils / topologies.py |
Topology |
|
97 |
5 |
0 |
|
95% |
| mddb_workflow / utils / topologies.py |
(no class) |
|
15 |
0 |
0 |
|
100% |
| mddb_workflow / utils / type_hints.py |
(no class) |
|
3 |
0 |
10 |
|
100% |
| mddb_workflow / utils / vmd_spells.py |
(no class) |
|
292 |
62 |
0 |
|
79% |