adding hybridization change filter

[RiesBen]

This PR adds a filter for hybridization_changes of atoms, disallowing them.

• [x] general hybridization changes

[pep8speaks]

Hello @RiesBen! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

• In the file src/kartograf/filters/element_change.py:

Line 57:78: W291 trailing whitespace Line 70:1: W293 blank line contains whitespace Line 70:1: W391 blank line at end of file

• In the file src/kartograf/tests/test_element_filters.py:

Line 45:46: W291 trailing whitespace

Comment last updated at 2024-01-30 18:39:36 UTC

[codecov[bot]]

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (9757264) 96.16% compared to head (3a4e81b) 96.21%.

Additional details and impacted files

```diff @@ Coverage Diff @@ ## main #35 +/- ## ========================================== + Coverage 96.16% 96.21% +0.04% ========================================== Files 13 13 Lines 574 581 +7 ========================================== + Hits 552 559 +7 Misses 22 22 ```

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[RiesBen]

@richardjgowers yes that is a very important change filter (benzene to cyclohex). But we would need to check the all ring atoms, I think. Therefore this would be a ring-change filter, similar to your whole ring filter.