Implementation of atropisomer recognition & encoding#198

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cm-beilstein wants to merge 21 commits into

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Commits on Feb 19, 2026

Commits on Feb 20, 2026

Added first prototype for atom+bond identification for atropisomers
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Commits on Feb 23, 2026

added unit tests and files for ring detection
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Commits on Feb 25, 2026

Commits on Feb 26, 2026

added new ring detection based on hortons algorithm
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Commits on Feb 27, 2026

Added ringsystem funcationalities and unit tests
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Commits on Mar 2, 2026

refactored ring detection and atropisomer detection code
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Commits on Mar 3, 2026

clean up atropisomer code
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Commits on Mar 4, 2026

bugfix return value
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Commits on Mar 5, 2026

added rule weighting and prototype for atropisomer encoding
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Commits on Mar 6, 2026

added code for atropisomer encoding (t+m layer), rule tweaking, planarity checking
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Commits on Mar 20, 2026

bugfixing, code cleanup and enantiomer detection for atropisomers is wrong.
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Commits on Mar 30, 2026

added unit tests for ring_detection and atropisomers; and added code for handling faulty values
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Commits on Apr 2, 2026

added units for atropisomer code and enantiomer ident
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Commits on Apr 9, 2026

added new test code for enantiomers
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Commits on Apr 20, 2026

Merge branch 'dev' into atropisomers
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Commits on May 11, 2026

bug fixes
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