| biobb_gromacs/__init__.py |
(no function) |
4 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/__init__.py |
(no function) |
13 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/common.py |
get_gromacs_version |
29 |
9 |
0 |
69% |
| biobb_gromacs/gromacs/common.py |
gmx_check |
26 |
6 |
0 |
77% |
| biobb_gromacs/gromacs/common.py |
gmx_rms |
14 |
2 |
0 |
86% |
| biobb_gromacs/gromacs/common.py |
read_mdp |
10 |
10 |
0 |
0% |
| biobb_gromacs/gromacs/common.py |
mdp_preset |
89 |
18 |
0 |
80% |
| biobb_gromacs/gromacs/common.py |
write_mdp |
9 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/common.py |
create_mdp |
12 |
3 |
0 |
75% |
| biobb_gromacs/gromacs/common.py |
clean_key |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/common.py |
(no function) |
14 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/editconf.py |
Editconf.__init__ |
20 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/editconf.py |
Editconf.launch |
22 |
6 |
0 |
73% |
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editconf |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/editconf.py |
main |
9 |
9 |
0 |
0% |
| biobb_gromacs/gromacs/editconf.py |
(no function) |
16 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/genion.py |
Genion.__init__ |
22 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/genion.py |
Genion.launch |
36 |
8 |
0 |
78% |
| biobb_gromacs/gromacs/genion.py |
genion |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/genion.py |
main |
12 |
12 |
0 |
0% |
| biobb_gromacs/gromacs/genion.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/genrestr.py |
Genrestr.__init__ |
18 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/genrestr.py |
Genrestr.launch |
22 |
3 |
0 |
86% |
| biobb_gromacs/gromacs/genrestr.py |
genrestr |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/genrestr.py |
main |
10 |
10 |
0 |
0% |
| biobb_gromacs/gromacs/genrestr.py |
(no function) |
17 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/gmxselect.py |
Gmxselect.__init__ |
18 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/gmxselect.py |
Gmxselect.launch |
24 |
11 |
0 |
54% |
| biobb_gromacs/gromacs/gmxselect.py |
gmxselect |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/gmxselect.py |
main |
10 |
10 |
0 |
0% |
| biobb_gromacs/gromacs/gmxselect.py |
(no function) |
16 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/grompp.py |
Grompp.__init__ |
24 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/grompp.py |
Grompp.launch |
29 |
14 |
0 |
52% |
| biobb_gromacs/gromacs/grompp.py |
grompp |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/grompp.py |
main |
13 |
13 |
0 |
0% |
| biobb_gromacs/gromacs/grompp.py |
(no function) |
20 |
1 |
0 |
95% |
| biobb_gromacs/gromacs/grompp_mdrun.py |
GromppMdrun.__init__ |
31 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/grompp_mdrun.py |
GromppMdrun.launch |
12 |
1 |
0 |
92% |
| biobb_gromacs/gromacs/grompp_mdrun.py |
grompp_mdrun |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/grompp_mdrun.py |
main |
20 |
20 |
0 |
0% |
| biobb_gromacs/gromacs/grompp_mdrun.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/make_ndx.py |
MakeNdx.__init__ |
17 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/make_ndx.py |
MakeNdx.launch |
19 |
4 |
0 |
79% |
| biobb_gromacs/gromacs/make_ndx.py |
make_ndx |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/make_ndx.py |
main |
10 |
10 |
0 |
0% |
| biobb_gromacs/gromacs/make_ndx.py |
(no function) |
17 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/mdrun.py |
Mdrun.__init__ |
27 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/mdrun.py |
Mdrun.launch |
65 |
37 |
0 |
43% |
| biobb_gromacs/gromacs/mdrun.py |
mdrun |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/mdrun.py |
main |
16 |
16 |
0 |
0% |
| biobb_gromacs/gromacs/mdrun.py |
(no function) |
16 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/pdb2gmx.py |
Pdb2gmx.__init__ |
41 |
5 |
0 |
88% |
| biobb_gromacs/gromacs/pdb2gmx.py |
Pdb2gmx.launch |
55 |
16 |
0 |
71% |
| biobb_gromacs/gromacs/pdb2gmx.py |
Pdb2gmx.check_lengths |
6 |
1 |
0 |
83% |
| biobb_gromacs/gromacs/pdb2gmx.py |
Pdb2gmx.find_length |
4 |
1 |
0 |
75% |
| biobb_gromacs/gromacs/pdb2gmx.py |
pdb2gmx |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/pdb2gmx.py |
main |
10 |
10 |
0 |
0% |
| biobb_gromacs/gromacs/pdb2gmx.py |
(no function) |
19 |
1 |
0 |
95% |
| biobb_gromacs/gromacs/solvate.py |
Solvate.__init__ |
20 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/solvate.py |
Solvate.launch |
23 |
7 |
0 |
70% |
| biobb_gromacs/gromacs/solvate.py |
solvate |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/solvate.py |
main |
12 |
12 |
0 |
0% |
| biobb_gromacs/gromacs/solvate.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_gromacs/gromacs/trjcat.py |
Trjcat.__init__ |
18 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/trjcat.py |
Trjcat.launch |
21 |
5 |
0 |
76% |
| biobb_gromacs/gromacs/trjcat.py |
trjcat |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs/trjcat.py |
main |
9 |
9 |
0 |
0% |
| biobb_gromacs/gromacs/trjcat.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_gromacs/gromacs_extra/__init__.py |
(no function) |
4 |
0 |
0 |
100% |
| biobb_gromacs/gromacs_extra/append_ligand.py |
AppendLigand.__init__ |
7 |
0 |
0 |
100% |
| biobb_gromacs/gromacs_extra/append_ligand.py |
AppendLigand.launch |
99 |
34 |
0 |
66% |
| biobb_gromacs/gromacs_extra/append_ligand.py |
append_ligand |
1 |
0 |
0 |
100% |
| biobb_gromacs/gromacs_extra/append_ligand.py |
main |
11 |
11 |
0 |
0% |
| biobb_gromacs/gromacs_extra/append_ligand.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_gromacs/gromacs_extra/ndx2resttop.py |
Ndx2resttop.__init__ |
9 |
0 |
0 |
100% |
| biobb_gromacs/gromacs_extra/ndx2resttop.py |
Ndx2resttop.launch |
82 |
27 |
0 |
67% |
| biobb_gromacs/gromacs_extra/ndx2resttop.py |
ndx2resttop |
1 |
1 |
0 |
0% |
| biobb_gromacs/gromacs_extra/ndx2resttop.py |
main |
10 |
10 |
0 |
0% |
| biobb_gromacs/gromacs_extra/ndx2resttop.py |
(no function) |
18 |
1 |
0 |
94% |
| biobb_gromacs/test/__init__.py |
(no function) |
0 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_editconf.py |
TestEditconf.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_editconf.py |
TestEditconf.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_editconf.py |
TestEditconf.test_editconf |
3 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_editconf.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genion.py |
TestGenion.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genion.py |
TestGenion.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genion.py |
TestGenion.test_genion |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genion.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genrestr.py |
TestGenrestr.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genrestr.py |
TestGenrestr.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genrestr.py |
TestGenrestr.test_genrestr |
4 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genrestr.py |
TestGenrestr.test_genrestr_noNDX |
5 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_genrestr.py |
(no function) |
7 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_gmxselect.py |
TestGmxselect.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_gmxselect.py |
TestGmxselect.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_gmxselect.py |
TestGmxselect.test_select |
4 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_gmxselect.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp.py |
TestGrompp.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp.py |
TestGrompp.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp.py |
TestGrompp.test_grompp |
4 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp.py |
(no function) |
7 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp_mdrun.py |
TestGromppMdrun.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp_mdrun.py |
TestGromppMdrun.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp_mdrun.py |
TestGromppMdrun.test_grompp_mdrun |
7 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_grompp_mdrun.py |
(no function) |
7 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_make_ndx.py |
TestMakeNdx.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_make_ndx.py |
TestMakeNdx.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_make_ndx.py |
TestMakeNdx.test_make_ndx |
4 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_make_ndx.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_mdrun.py |
TestMdrun.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_mdrun.py |
TestMdrun.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_mdrun.py |
TestMdrun.test_mdrun |
7 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_mdrun.py |
(no function) |
7 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_pdb2gmx.py |
TestPdb2gmx.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_pdb2gmx.py |
TestPdb2gmx.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_pdb2gmx.py |
TestPdb2gmx.test_pdb2gmx |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_pdb2gmx.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_solvate.py |
TestSolvate.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_solvate.py |
TestSolvate.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_solvate.py |
TestSolvate.test_solvate |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_solvate.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_trjcat.py |
TestSolvate.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_trjcat.py |
TestSolvate.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_trjcat.py |
TestSolvate.test_solvate |
4 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs/test_trjcat.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_append_ligand.py |
TestAppendLigand.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_append_ligand.py |
TestAppendLigand.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_append_ligand.py |
TestAppendLigand.test_append_ligand |
4 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_append_ligand.py |
(no function) |
6 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_ndx2resttop.py |
TestNdx2resttop.setup_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_ndx2resttop.py |
TestNdx2resttop.teardown_class |
1 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_ndx2resttop.py |
TestNdx2resttop.test_ndx2resttop |
3 |
0 |
0 |
100% |
| biobb_gromacs/test/unitests/test_gromacs_extra/test_ndx2resttop.py |
(no function) |
6 |
0 |
0 |
100% |