globus-labs / mof-generation-at-scale / 6443424390
32%
main: 46%

LAST BUILD BRANCH: octopus
DEFAULT BRANCH: main
Ran
Jobs 1
Files 38
Run time 1s
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coverage: 31.974% (-40.5%) from 72.449%
6443424390

Pull #18

github

web-flow 
Update cif2system.py
Pull Request #18: Add cif2lammps

4604 of 4604 new or added lines in 28 files covered. (100.0%)

1482 of 4635 relevant lines covered (31.97%)

0.32 hits per line

New Missed Lines in Diff

Lines Coverage ∆ File
1
0.0
 mofa/simulation/cif2lammps/zeolite_constants.py
5
0.0
 mofa/simulation/cif2lammps/test_run.py
14
67.44
 mofa/simulation/cif2lammps/force_field_construction.py
15
79.45
 mofa/simulation/cif2lammps/superimposition.py
21
8.7
 mofa/simulation/cif2lammps/write_molecule_files.py
22
0.0
 mofa/simulation/cif2lammps/advanced_run_scripts.py
25
87.5
 mofa/simulation/cif2lammps/pymatgen_cif2system.py
64
26.44
 mofa/simulation/cif2lammps/main_conversion.py
73
20.65
 mofa/simulation/cif2lammps/write_GULP_inputs.py
139
12.03
 mofa/simulation/cif2lammps/zeoliteFFs_construction.py
144
75.72
 mofa/simulation/cif2lammps/UFF4MOF_construction.py
172
60.28
 mofa/simulation/cif2lammps/write_lammps_data.py
180
0.0
 mofa/simulation/pacmof.py
251
50.69
 mofa/simulation/cif2lammps/cif2system.py
285
5.94
 mofa/simulation/cif2lammps/small_molecule_construction.py
330
5.98
 mofa/simulation/cif2lammps/Dreiding_construction.py
397
5.02
 mofa/simulation/cif2lammps/UFF_construction.py
455
0.0
 mofa/simulation/raspa.py
548
5.52
 mofa/simulation/cif2lammps/ZIFFF_construction.py

Uncovered Existing Lines

Lines Coverage ∆ File
1
97.96
 97.96% mofa/simulation/lammps.py
2
0.0
 0.0% mofa/assemble.py
2
0.0
 0.0% mofa/generator.py
2
71.43
 -1.9% mofa/scoring/base.py
Jobs
ID Job ID Ran Files Coverage
1 6443424390.1 38
31.97
Source Files on build 6443424390