| cosmolayer / __init__.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureDatapoint.__post_init__ |
|
12 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureDatapoint.shape |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureDatapoint.get_inputs |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureDatapoint.get_targets |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureInferenceDataset.__init__ |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureInferenceDataset.__len__ |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureInferenceDataset.__getitem__ |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureTrainingDataset.__init__ |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureTrainingDataset.__len__ |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureTrainingDataset.__getitem__ |
|
2 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
MixtureTrainingDataset.to_inference_dataset |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmodata.py |
(no function) |
|
37 |
0 |
4 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.__init__ |
|
25 |
3 |
0 |
|
88% |
| cosmolayer / cosmolayer.py |
CosmoLayer.extra_repr |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.log_combinatorial_activity_coefficients |
|
5 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.mixture_probabilities |
|
3 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.scaled_interactions |
|
3 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.log_pure_segment_activity_coefficients |
|
4 |
1 |
0 |
|
75% |
| cosmolayer / cosmolayer.py |
CosmoLayer.log_mixture_segment_activity_coefficients |
|
4 |
1 |
0 |
|
75% |
| cosmolayer / cosmolayer.py |
CosmoLayer.log_residual_activity_coefficients |
|
6 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.log_activity_coefficients |
|
3 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
CosmoLayer.forward |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmolayer.py |
(no function) |
|
19 |
0 |
0 |
|
100% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.__init__ |
|
30 |
7 |
0 |
|
77% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule._build_initial_matrices |
|
13 |
10 |
0 |
|
23% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule._infer_batch_size |
|
5 |
2 |
0 |
|
60% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule._compute_target_statistics |
|
35 |
3 |
0 |
|
91% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.forward |
|
3 |
0 |
0 |
|
100% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.predict_from_log_gamma |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.configure_optimizers |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.on_fit_start |
|
2 |
2 |
0 |
|
0% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.training_step |
|
11 |
4 |
0 |
|
64% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.validation_step |
|
11 |
4 |
0 |
|
64% |
| cosmolayer / cosmolightning.py |
LogGammaLightningModule.test_step |
|
16 |
0 |
0 |
|
100% |
| cosmolayer / cosmolightning.py |
(no function) |
|
28 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / __init__.py |
(no function) |
|
5 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.__init__ |
|
16 |
1 |
0 |
|
94% |
| cosmolayer / cosmosac / component.py |
Component.__repr__ |
|
3 |
3 |
0 |
|
0% |
| cosmolayer / cosmosac / component.py |
Component._get_covalent_radius |
|
2 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component._detect_bonds |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component._get_hydrogen_bonding_classes |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component._average_sigmas |
|
9 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component._compute_sigma_profile |
|
9 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component._compute_sigma_profiles |
|
15 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.from_text_reader |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.from_file |
|
5 |
2 |
0 |
|
60% |
| cosmolayer / cosmosac / component.py |
Component.area |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.volume |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.cosmo_format |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.atom_data |
|
1 |
0 |
1 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.segment_data |
|
1 |
0 |
1 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.bonds |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.sigma_grid |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.merge_profiles |
|
1 |
1 |
0 |
|
0% |
| cosmolayer / cosmosac / component.py |
Component.sigma_profile |
|
4 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
Component.probabilities |
|
3 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / component.py |
(no function) |
|
48 |
2 |
0 |
|
96% |
| cosmolayer / cosmosac / constants.py |
(no function) |
|
11 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / datapoint.py |
_get_component_data |
|
5 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / datapoint.py |
CosmoSacMixtureDatapoint.__init__ |
|
4 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / datapoint.py |
CosmoSacMixtureDatapoint.from_series |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / datapoint.py |
(no function) |
|
14 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / interaction_matrices.py |
create_cosmo_sac_2002_matrix |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / interaction_matrices.py |
create_cosmo_sac_2010_matrices |
|
13 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / interaction_matrices.py |
(no function) |
|
6 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.__init__ |
|
15 |
1 |
0 |
|
93% |
| cosmolayer / cosmosac / mixture.py |
Mixture.__len__ |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.__getitem__ |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture._create_component |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.add_component |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.remove_component |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.replace_component |
|
12 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.area_per_segment |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.merge_profiles |
|
1 |
1 |
0 |
|
0% |
| cosmolayer / cosmosac / mixture.py |
Mixture.component_names |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.areas |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.volumes |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.probabilities |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.sigma_profiles |
|
1 |
1 |
0 |
|
0% |
| cosmolayer / cosmosac / mixture.py |
Mixture.interaction_matrices |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
Mixture.temperature_exponents |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / mixture.py |
(no function) |
|
32 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / model.py |
Model.create_interaction_matrices |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / model.py |
Model.create_component |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / model.py |
Model.create_mixture |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / model.py |
Model.num_segment_types |
|
3 |
1 |
0 |
|
67% |
| cosmolayer / cosmosac / model.py |
(no function) |
|
27 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / segment_groups.py |
(no function) |
|
6 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
estimate_vdw_radius |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
create_atom_spheres |
|
12 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
compute_rotation_matrix |
|
16 |
8 |
0 |
|
50% |
| cosmolayer / cosmosac / visualize.py |
create_bond_sticks |
|
23 |
1 |
0 |
|
96% |
| cosmolayer / cosmosac / visualize.py |
ball_pivoting_algorithm |
|
17 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
find_loops |
|
17 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
geodesic_centroid |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
surface_tessellation |
|
41 |
1 |
0 |
|
98% |
| cosmolayer / cosmosac / visualize.py |
surface_tessellation.add_vertex |
|
4 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
surface_tessellation.midpoint_vertices |
|
8 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
generate_geometries |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / cosmosac / visualize.py |
get_parser |
|
7 |
7 |
0 |
|
0% |
| cosmolayer / cosmosac / visualize.py |
main |
|
4 |
4 |
0 |
|
0% |
| cosmolayer / cosmosac / visualize.py |
(no function) |
|
28 |
1 |
0 |
|
96% |
| cosmolayer / cosmosolver.py |
CosmoSolver._logspace_newton_solver |
|
21 |
0 |
0 |
|
100% |
| cosmolayer / cosmosolver.py |
CosmoSolver.forward |
|
11 |
2 |
0 |
|
82% |
| cosmolayer / cosmosolver.py |
CosmoSolver.backward |
|
19 |
1 |
0 |
|
95% |
| cosmolayer / cosmosolver.py |
(no function) |
|
14 |
0 |
0 |
|
100% |
| cosmolayer / parser / __init__.py |
(no function) |
|
2 |
0 |
0 |
|
100% |
| cosmolayer / parser / common.py |
(no function) |
|
9 |
0 |
0 |
|
100% |
| cosmolayer / parser / dmol3.py |
(no function) |
|
7 |
0 |
0 |
|
100% |
| cosmolayer / parser / parser.py |
get_atom_dataframe |
|
4 |
0 |
0 |
|
100% |
| cosmolayer / parser / parser.py |
get_segment_dataframe |
|
5 |
0 |
0 |
|
100% |
| cosmolayer / parser / parser.py |
get_volume |
|
1 |
0 |
0 |
|
100% |
| cosmolayer / parser / parser.py |
parse_cosmo_file |
|
8 |
1 |
0 |
|
88% |
| cosmolayer / parser / parser.py |
(no function) |
|
8 |
0 |
0 |
|
100% |
| cosmolayer / parser / turbomole.py |
(no function) |
|
5 |
0 |
0 |
|
100% |
| cosmolayer / parser / utils.py |
parse_table |
|
5 |
1 |
0 |
|
80% |
| cosmolayer / parser / utils.py |
parse_value |
|
4 |
1 |
0 |
|
75% |
| cosmolayer / parser / utils.py |
(no function) |
|
4 |
0 |
0 |
|
100% |
| cosmolayer / utils.py |
log_matmul_exp |
|
3 |
1 |
0 |
|
67% |
| cosmolayer / utils.py |
is_loss_function |
|
10 |
3 |
0 |
|
70% |
| cosmolayer / utils.py |
(no function) |
|
4 |
0 |
0 |
|
100% |