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adding intermediate generator to konnektor #51
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Hello @RiesBen! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
Comment last updated at 2024-09-10 13:17:33 UTC |
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #51 +/- ##
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- Coverage 91.10% 87.06% -4.05%
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Files 46 47 +1
Lines 1293 1353 +60
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Hits 1178 1178
- Misses 115 175 +60 ☔ View full report in Codecov by Sentry. |
Add other intermediate generator to wrapper
adding abstract class gufe style, making intermediator tokenizable.
This PR introduces Intermediators to Konnektor.
They can be used to generate an inbetween node between two molecules.
Additionally an example intermediator was implemented.