| biobb_analysis/__init__.py |
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4 |
0 |
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14 |
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get_parameters |
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4 |
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14 |
8 |
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4 |
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get_in_parameters |
39 |
17 |
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setup_structure |
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get_mask |
4 |
1 |
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get_reference |
29 |
9 |
0 |
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get_reference_rms |
37 |
12 |
0 |
68% |
| biobb_analysis/ambertools/common.py |
get_out_parameters |
8 |
4 |
0 |
50% |
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copy_instructions_file_to_container |
1 |
1 |
0 |
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remove_tmp_files |
6 |
6 |
0 |
0% |
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(no function) |
24 |
0 |
0 |
100% |
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CpptrajAverage.__init__ |
14 |
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CpptrajAverage.check_data_params |
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CpptrajAverage.create_instructions_file |
19 |
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CpptrajAverage.launch |
14 |
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cpptraj_average |
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main |
10 |
10 |
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18 |
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CpptrajBfactor.__init__ |
14 |
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CpptrajBfactor.check_data_params |
4 |
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CpptrajBfactor.create_instructions_file |
25 |
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CpptrajBfactor.launch |
14 |
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cpptraj_bfactor |
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main |
11 |
11 |
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CpptrajConvert.__init__ |
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CpptrajConvert.check_data_params |
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CpptrajConvert.create_instructions_file |
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CpptrajConvert.launch |
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cpptraj_convert |
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main |
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CpptrajDry.__init__ |
14 |
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CpptrajDry.check_data_params |
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CpptrajDry.create_instructions_file |
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CpptrajDry.launch |
14 |
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cpptraj_dry |
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main |
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| biobb_analysis/ambertools/cpptraj_image.py |
CpptrajImage.__init__ |
14 |
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CpptrajImage.check_data_params |
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CpptrajImage.launch |
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cpptraj_image |
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10 |
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| biobb_analysis/ambertools/cpptraj_input.py |
CpptrajInput.__init__ |
10 |
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CpptrajInput.create_instrucions_file |
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CpptrajInput.launch |
9 |
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cpptraj_input |
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CpptrajMask.__init__ |
14 |
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CpptrajMask.check_data_params |
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CpptrajMask.create_instructions_file |
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CpptrajMask.launch |
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CpptrajRgyr.__init__ |
13 |
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CpptrajRgyr.check_data_params |
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CpptrajRgyr.create_instructions_file |
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CpptrajRgyr.launch |
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cpptraj_rgyr |
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CpptrajRms.__init__ |
17 |
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CpptrajRms.check_data_params |
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CpptrajRms.create_instructions_file |
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CpptrajRms.launch |
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cpptraj_rms |
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CpptrajRmsf.__init__ |
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CpptrajRmsf.check_data_params |
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CpptrajRmsf.create_instructions_file |
25 |
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CpptrajRmsf.launch |
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cpptraj_rmsf |
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main |
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| biobb_analysis/ambertools/cpptraj_slice.py |
CpptrajSlice.__init__ |
14 |
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CpptrajSlice.create_instructions_file |
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CpptrajSlice.launch |
14 |
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cpptraj_slice |
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main |
10 |
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18 |
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CpptrajSnapshot.__init__ |
12 |
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CpptrajSnapshot.check_data_params |
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CpptrajSnapshot.create_instructions_file |
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| biobb_analysis/ambertools/cpptraj_snapshot.py |
CpptrajSnapshot.launch |
14 |
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cpptraj_snapshot |
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main |
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18 |
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| biobb_analysis/ambertools/cpptraj_strip.py |
CpptrajStrip.__init__ |
14 |
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CpptrajStrip.check_data_params |
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CpptrajStrip.create_instructions_file |
23 |
3 |
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87% |
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CpptrajStrip.launch |
14 |
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0 |
86% |
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cpptraj_strip |
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0 |
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main |
10 |
10 |
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18 |
1 |
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94% |
| biobb_analysis/gromacs/__init__.py |
(no function) |
10 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
gmx_check |
26 |
26 |
0 |
0% |
| biobb_analysis/gromacs/common.py |
check_energy_path |
10 |
5 |
0 |
50% |
| biobb_analysis/gromacs/common.py |
check_input_path |
10 |
5 |
0 |
50% |
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check_index_path |
9 |
4 |
0 |
56% |
| biobb_analysis/gromacs/common.py |
check_traj_path |
10 |
5 |
0 |
50% |
| biobb_analysis/gromacs/common.py |
check_out_xvg_path |
8 |
4 |
0 |
50% |
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check_out_pdb_path |
8 |
4 |
0 |
50% |
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check_out_traj_path |
8 |
4 |
0 |
50% |
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check_out_str_ens_path |
8 |
4 |
0 |
50% |
| biobb_analysis/gromacs/common.py |
get_default_value |
2 |
0 |
0 |
100% |
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get_binary_path |
1 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
get_terms |
8 |
4 |
0 |
50% |
| biobb_analysis/gromacs/common.py |
get_selection |
8 |
8 |
0 |
0% |
| biobb_analysis/gromacs/common.py |
get_image_selection |
8 |
8 |
0 |
0% |
| biobb_analysis/gromacs/common.py |
get_selection_index_file |
11 |
2 |
0 |
82% |
| biobb_analysis/gromacs/common.py |
get_pbc |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_center |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_ur |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_fit |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_skip |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_start |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_end |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_dt |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_ot_str_ens |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_xvg |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_dista |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_method |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
get_cutoff |
5 |
2 |
0 |
60% |
| biobb_analysis/gromacs/common.py |
is_valid_boolean |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_float |
3 |
1 |
0 |
67% |
| biobb_analysis/gromacs/common.py |
is_valid_int |
3 |
1 |
0 |
67% |
| biobb_analysis/gromacs/common.py |
is_valid_method_param |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
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2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_index |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_trajectory |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_trajectory_output |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_energy |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_xvg |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_zip |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_xvg_param |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_ot_str_ens |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_pbc |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_ur |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_fit |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_term |
2 |
0 |
0 |
100% |
| biobb_analysis/gromacs/common.py |
is_valid_selection |
2 |
2 |
0 |
0% |
| biobb_analysis/gromacs/common.py |
copy_instructions_file_to_container |
1 |
1 |
0 |
0% |
| biobb_analysis/gromacs/common.py |
remove_tmp_files |
4 |
4 |
0 |
0% |
| biobb_analysis/gromacs/common.py |
process_output_trjconv_str_ens |
8 |
1 |
0 |
88% |
| biobb_analysis/gromacs/common.py |
_from_string_to_list |
8 |
5 |
0 |
38% |
| biobb_analysis/gromacs/common.py |
(no function) |
56 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_cluster.py |
GMXCluster.__init__ |
14 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_cluster.py |
GMXCluster.check_data_params |
12 |
2 |
0 |
83% |
| biobb_analysis/gromacs/gmx_cluster.py |
GMXCluster.launch |
29 |
3 |
0 |
90% |
| biobb_analysis/gromacs/gmx_cluster.py |
gmx_cluster |
1 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_cluster.py |
main |
14 |
14 |
0 |
0% |
| biobb_analysis/gromacs/gmx_cluster.py |
(no function) |
16 |
1 |
0 |
94% |
| biobb_analysis/gromacs/gmx_energy.py |
GMXEnergy.__init__ |
11 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_energy.py |
GMXEnergy.check_data_params |
4 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_energy.py |
GMXEnergy.create_instructions_file |
11 |
1 |
0 |
91% |
| biobb_analysis/gromacs/gmx_energy.py |
GMXEnergy.launch |
14 |
2 |
0 |
86% |
| biobb_analysis/gromacs/gmx_energy.py |
gmx_energy |
1 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_energy.py |
main |
9 |
9 |
0 |
0% |
| biobb_analysis/gromacs/gmx_energy.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_analysis/gromacs/gmx_image.py |
GMXImage.__init__ |
16 |
0 |
0 |
100% |
| biobb_analysis/gromacs/gmx_image.py |
GMXImage.check_data_params |
21 |
8 |
0 |
62% |
| biobb_analysis/gromacs/gmx_image.py |
GMXImage.launch |
31 |
11 |
0 |
65% |
| biobb_analysis/gromacs/gmx_image.py |
gmx_image |
1 |
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0 |
100% |
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main |
11 |
11 |
0 |
0% |
| biobb_analysis/gromacs/gmx_image.py |
(no function) |
16 |
1 |
0 |
94% |
| biobb_analysis/gromacs/gmx_rgyr.py |
GMXRgyr.__init__ |
10 |
0 |
0 |
100% |
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GMXRgyr.check_data_params |
8 |
1 |
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GMXRgyr.launch |
16 |
1 |
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gmx_rgyr |
1 |
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main |
11 |
11 |
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16 |
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GMXRms.__init__ |
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GMXRms.launch |
16 |
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gmx_rms |
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main |
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11 |
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16 |
1 |
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GMXTrjConvStr.__init__ |
13 |
0 |
0 |
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GMXTrjConvStr.check_data_params |
7 |
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GMXTrjConvStr.launch |
26 |
7 |
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gmx_trjconv_str |
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main |
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(no function) |
16 |
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GMXTrjConvStrEns.__init__ |
15 |
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GMXTrjConvStrEns.check_data_params |
13 |
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25 |
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main |
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(no function) |
16 |
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GMXTrjConvTrj.__init__ |
14 |
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GMXTrjConvTrj.check_data_params |
15 |
5 |
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GMXTrjConvTrj.launch |
21 |
4 |
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gmx_trjconv_trj |
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main |
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11 |
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16 |
1 |
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(no function) |
0 |
0 |
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TestCpptrajAverage.setup_class |
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TestCpptrajAverage.teardown_class |
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TestCpptrajAverage.test_average |
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(no function) |
6 |
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TestCpptrajBfactorFirst.setup_class |
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TestCpptrajBfactorFirst.teardown_class |
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TestCpptrajBfactorFirst.test_bfactor_first |
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TestCpptrajBfactorAverage.setup_class |
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0 |
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TestCpptrajBfactorAverage.teardown_class |
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TestCpptrajBfactorAverage.test_bfactor_average |
3 |
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TestCpptrajBfactorExperimental.setup_class |
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TestCpptrajBfactorExperimental.teardown_class |
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TestCpptrajBfactorExperimental.test_bfactor_experimental |
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(no function) |
14 |
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TestCpptrajConvert.setup_class |
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TestCpptrajConvert.teardown_class |
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TestCpptrajConvert.test_convert |
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(no function) |
6 |
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TestCpptrajDry.setup_class |
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TestCpptrajDry.teardown_class |
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TestCpptrajDry.test_dry |
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(no function) |
6 |
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TestCpptrajImage.setup_class |
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TestCpptrajImage.teardown_class |
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TestCpptrajImage.test_image |
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(no function) |
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TestCpptrajInput.setup_class |
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TestCpptrajInput.teardown_class |
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TestCpptrajInput.test_input |
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TestCpptrajMask.setup_class |
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TestCpptrajMask.teardown_class |
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TestCpptrajMask.test_mask |
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(no function) |
6 |
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TestCpptrajRgyr.setup_class |
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0 |
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TestCpptrajRgyr.teardown_class |
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TestCpptrajRgyr.test_rgyr |
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(no function) |
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TestCpptrajRmsFirst.setup_class |
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TestCpptrajRmsFirst.teardown_class |
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TestCpptrajRmsFirst.test_rms_first |
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TestCpptrajRmsAverage.setup_class |
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TestCpptrajRmsAverage.teardown_class |
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0 |
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TestCpptrajRmsAverage.test_rms_average |
5 |
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0 |
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TestCpptrajRmsExperimental.teardown_class |
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0 |
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TestCpptrajRmsExperimental.test_rms_experimental |
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(no function) |
14 |
0 |
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TestCpptrajRmsfFirst.setup_class |
1 |
0 |
0 |
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TestCpptrajRmsfFirst.teardown_class |
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0 |
0 |
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TestCpptrajRmsfFirst.test_rmsf_first |
3 |
0 |
0 |
100% |
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TestCpptrajRmsfAverage.setup_class |
1 |
0 |
0 |
100% |
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TestCpptrajRmsfAverage.teardown_class |
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0 |
0 |
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TestCpptrajRmsfAverage.test_rmsf_average |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_ambertools/test_cpptraj_rmsf.py |
TestCpptrajRmsfExperimental.setup_class |
1 |
0 |
0 |
100% |
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TestCpptrajRmsfExperimental.teardown_class |
2 |
0 |
0 |
100% |
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TestCpptrajRmsfExperimental.test_rmsf_experimental |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_ambertools/test_cpptraj_rmsf.py |
(no function) |
14 |
0 |
0 |
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TestCpptrajSlice.setup_class |
1 |
0 |
0 |
100% |
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TestCpptrajSlice.teardown_class |
2 |
0 |
0 |
100% |
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TestCpptrajSlice.test_slice |
3 |
0 |
0 |
100% |
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(no function) |
6 |
0 |
0 |
100% |
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TestCpptrajSnapshot.setup_class |
1 |
0 |
0 |
100% |
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TestCpptrajSnapshot.teardown_class |
2 |
0 |
0 |
100% |
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TestCpptrajSnapshot.test_snapshot |
3 |
0 |
0 |
100% |
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(no function) |
6 |
0 |
0 |
100% |
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TestCpptrajStrip.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_ambertools/test_cpptraj_strip.py |
TestCpptrajStrip.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_ambertools/test_cpptraj_strip.py |
TestCpptrajStrip.test_strip |
3 |
0 |
0 |
100% |
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(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_cluster.py |
TestGMXCluster.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_cluster.py |
TestGMXCluster.teardown_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_cluster.py |
TestGMXCluster.test_cluster |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_cluster.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_energy.py |
TestGMXEnergy.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_energy.py |
TestGMXEnergy.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_energy.py |
TestGMXEnergy.test_energy |
3 |
0 |
0 |
100% |
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(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_image.py |
TestGMXImage.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_image.py |
TestGMXImage.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_image.py |
TestGMXImage.test_image |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_image.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rgyr.py |
TestGMXRgyr.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rgyr.py |
TestGMXRgyr.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rgyr.py |
TestGMXRgyr.test_rgyr |
3 |
0 |
0 |
100% |
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(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rms.py |
TestGMXRms.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rms.py |
TestGMXRms.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rms.py |
TestGMXRms.test_rms |
4 |
1 |
0 |
75% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_rms.py |
(no function) |
7 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str.py |
TestGMXTrjConvStr.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str.py |
TestGMXTrjConvStr.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str.py |
TestGMXTrjConvStr.test_trjconv_str |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str_ens.py |
TestGMXTrjConvStrEns.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str_ens.py |
TestGMXTrjConvStrEns.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str_ens.py |
TestGMXTrjConvStrEns.test_trjconv_str_ens |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_str_ens.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_trj.py |
TestGMXTrjConvTrj.setup_class |
1 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_trj.py |
TestGMXTrjConvTrj.teardown_class |
2 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_trj.py |
TestGMXTrjConvTrj.test_trjconv_trj |
3 |
0 |
0 |
100% |
| biobb_analysis/test/unitests/test_gromacs/test_gmx_trjconv_trj.py |
(no function) |
6 |
0 |
0 |
100% |