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globus-labs / mof-generation-at-scale / 14836530203
48%

Build:
DEFAULT BRANCH: main
Ran 05 May 2025 12:41PM UTC
Jobs 1
Files 85
Run time 1min
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29 Apr 2025 06:58PM UTC coverage: 45.731% (+0.3%) from 45.442%
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Introduce a shared interface for RASPA versions (#158)

* Introduce a shared interface for RASPA versions

* Add missing files

* Move gRASPAs into the raspa module

* Spoof calling gRASPA if not found

* Correct paths in run directory

* Had the logic backwards

* Use the same functions for r/w RASPA

* Further increase the amount of shared code

* Remove legacy RASPA wrapper

* gRASPA writes target information to err, not log

* Fix imports, runner script

280 of 287 new or added lines in 5 files covered. (97.56%)

52 existing lines in 3 files now uncovered.

4355 of 9523 relevant lines covered (45.73%)

0.46 hits per line

New Missed Lines in Diff

Lines Coverage ∆ File
2
96.55
mofa/simulation/raspa/graspa_sycl.py
2
96.61
mofa/simulation/raspa/raspa2.py
3
91.43
mofa/simulation/raspa/base.py

Uncovered Existing Lines

Lines Coverage ∆ File
2
50.78
-0.39% mofa/simulation/cif2lammps/cif2system.py
8
87.13
-3.96% mofa/simulation/cif2lammps/pymatgen_cif2system.py
42
73.86
-7.08% mofa/simulation/cif2lammps/UFF4MOF_construction.py
Jobs
ID Job ID Ran Files Coverage
1 14836530203.1 05 May 2025 12:41PM UTC 85
45.73
GitHub Action Run
Source Files on build 14836530203
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  • List 85
  • Changed 3
  • Source Changed 0
  • Coverage Changed 3
Coverage ∆ File Lines Relevant Covered Missed Hits/Line
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