nomad-coe / electronic-parsers / 21594295648

93%

Build Type

push

github

Committed by ondracka

Commit Message

OpenMX: corehole and empty atoms parsing fixes

- handle the empty atoms (no pseudo there and 0 atom number)
- the atom label doesn't need to follow the standard atomic symbols...
- fix hardcoded 19 in the pseudo version
- properly parse the code-specific atom labels
- fix the broken corehole parsing
- add tests for all of this

v2:
- fix regex
- use dict instead of list of string

Co-authored-by: Nathan Daelman <107392603+ndaelman-hu@users.noreply.github.com>

Run Details

40 of 43 new or added lines in 2 files covered. (93.02%)

23 existing lines in 1 file now uncovered.

36121 of 38886 relevant lines covered (92.89%)

0.93 hits per line