FAIRmat-NFDI / nomad-parser-plugins-simulation / 19963626680
67%
develop: 67%

LAST BUILD BRANCH: fix/remove-mapping-annotation-contamination
DEFAULT BRANCH: develop
Ran
Jobs 1
Files 86
Run time 156min
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coverage: 63.729% (+1.4%) from 62.304%
19963626680

Pull #115

github

Bernadette-Mohr 
Fixed issues from rebasing
Pull Request #115: Gromacs parser

495 of 746 new or added lines in 12 files covered. (66.35%)

309 existing lines in 19 files now uncovered.

4802 of 7535 relevant lines covered (63.73%)

0.64 hits per line

New Missed Lines in Diff

Lines Coverage ∆ File
2
75.0
 src/nomad_simulation_parsers/parsers/gromacs/xvg_parser.py
2
97.22
 src/nomad_simulation_parsers/schema_packages/gromacs.py
3
86.36
 src/nomad_simulation_parsers/parsers/gromacs/mdp_parser.py
5
82.14
 src/nomad_simulation_parsers/parsers/gromacs/edr_parser.py
5
94.44
 tests/parsers/test_gromacs_parser.py
7
30.0
 src/nomad_simulation_parsers/parsers/gromacs/common.py
8
50.0
 2.67% src/nomad_simulation_parsers/parsers/utils/mdparserutils.py
64
15.79
 src/nomad_simulation_parsers/parsers/gromacs/log_parser.py
71
21.98
 src/nomad_simulation_parsers/parsers/gromacs/mdanalysis_parser.py
84
75.22
 src/nomad_simulation_parsers/parsers/gromacs/parser.py

Uncovered Existing Lines

Lines Coverage ∆ File
1
75.0
 -1.32% src/nomad_simulation_parsers/parsers/quantumespresso/common.py
1
85.19
 -1.85% src/nomad_simulation_parsers/parsers/vasp/xml_parser.py
2
96.43
 0.13% src/nomad_simulation_parsers/schema_packages/abinit.py
2
95.45
 0.22% src/nomad_simulation_parsers/schema_packages/ams.py
2
95.83
 0.18% src/nomad_simulation_parsers/schema_packages/crystal.py
2
97.3
 0.11% src/nomad_simulation_parsers/schema_packages/exciting.py
2
97.62
 0.09% src/nomad_simulation_parsers/schema_packages/fhiaims.py
2
95.56
 0.21% src/nomad_simulation_parsers/schema_packages/gpaw.py
2
98.94
 0.26% src/nomad_simulation_parsers/schema_packages/h5md.py
2
95.74
 0.19% src/nomad_simulation_parsers/schema_packages/octopus.py
2
94.59
 0.31% src/nomad_simulation_parsers/schema_packages/quantumespresso/common.py
2
97.59
 0.06% src/nomad_simulation_parsers/schema_packages/vasp.py
2
97.7
 0.0% src/nomad_simulation_parsers/schema_packages/wannier90.py
5
78.72
 -10.64% src/nomad_simulation_parsers/parsers/quantumespresso/pwscf/parser.py
6
97.45
 -0.81% tests/parsers/test_lammps_parser.py
25
50.0
 2.67% src/nomad_simulation_parsers/parsers/utils/mdparserutils.py
39
80.59
 -1.54% src/nomad_simulation_parsers/parsers/wannier90/parser.py
44
85.32
 -3.47% src/nomad_simulation_parsers/parsers/h5md/parser.py
166
35.98
 1.08% src/nomad_simulation_parsers/parsers/utils/mdanalysisparser.py
Jobs
ID Job ID Ran Files Coverage
1 19963626680.1 86
63.73
 GitHub Action Run
Source Files on build 19963626680