mcocdawc / chemcoord

A python module for manipulating cartesian and internal coordinates.
GNU Lesser General Public License v3.0
72 stars 19 forks source link

Replace numba generated jit #94

Closed mcocdawc closed 5 months ago

mcocdawc commented 6 months ago

Replaces deprecated numba generated_jit with overload

Cleans up many other warnings from pandas and numpy about deprecated behaviour.

Solves #76

codecov[bot] commented 6 months ago

Codecov Report

Attention: Patch coverage is 85.71429% with 16 lines in your changes are missing coverage. Please review.

Project coverage is 66.31%. Comparing base (55ac9f1) to head (670c0f4).

Files Patch % Lines
...oord/cartesian_coordinates/_cart_transformation.py 50.00% 13 Missing :warning:
src/chemcoord/cartesian_coordinates/_indexers.py 93.33% 2 Missing :warning:
src/chemcoord/internal_coordinates/_indexers.py 94.73% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #94 +/- ## ========================================== + Coverage 65.11% 66.31% +1.20% ========================================== Files 26 27 +1 Lines 2763 2808 +45 ========================================== + Hits 1799 1862 +63 + Misses 964 946 -18 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

mcocdawc commented 6 months ago

Still todo