add the whole_rings filter to defaults

[richardjgowers]

also fixed up whole_rings_only filter

[codecov[bot]]

Codecov Report

Attention: 7 lines in your changes are missing coverage. Please review.

Comparison is base (864e3a5) 92.97% compared to head (0fb145d) 92.91%.

Additional details and impacted files

```diff @@ Coverage Diff @@ ## main #14 +/- ## ========================================== - Coverage 92.97% 92.91% -0.07% ========================================== Files 12 12 Lines 527 536 +9 ========================================== + Hits 490 498 +8 - Misses 37 38 +1 ``` | [Files](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/14?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | Coverage Δ | | |---|---|---| | [src/kartograf/filters/ring\_changes.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/14?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi9maWx0ZXJzL3JpbmdfY2hhbmdlcy5weQ==) | `100.00% <100.00%> (ø)` | | | [src/kartograf/atom\_mapper.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/14?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi9hdG9tX21hcHBlci5weQ==) | `88.07% <84.78%> (-0.25%)` | :arrow_down: |

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[pep8speaks]

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

• In the file src/kartograf/atom_mapper.py:

Line 290:80: E501 line too long (87 > 79 characters) Line 341:80: E501 line too long (86 > 79 characters) Line 615:80: E501 line too long (91 > 79 characters) Line 616:80: E501 line too long (83 > 79 characters) Line 649:37: E225 missing whitespace around operator Line 649:41: E701 multiple statements on one line (colon) Line 649:80: E501 line too long (89 > 79 characters) Line 695:37: E225 missing whitespace around operator Line 695:41: E701 multiple statements on one line (colon) Line 695:80: E501 line too long (110 > 79 characters)

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

Line 84:80: E501 line too long (84 > 79 characters)

Comment last updated at 2023-11-02 18:05:46 UTC