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#3333 - Adding missing elements and test to fix the current workflow#3575

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AlexanderSavelyev merged 3 commits intomasterfrom
3333-Adding-missing-elements-and-test-to-fix-the-current-workflow
Apr 2, 2026
Merged

#3333 - Adding missing elements and test to fix the current workflow#3575
AlexanderSavelyev merged 3 commits intomasterfrom
3333-Adding-missing-elements-and-test-to-fix-the-current-workflow

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@NikolaiBalabanov
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@NikolaiBalabanov NikolaiBalabanov commented Apr 2, 2026

Generic request

  • PR name follows the pattern #1234 – issue name
  • branch name does not contain '#'
  • base branch (master or release/xx) is correct
  • PR is linked with the issue
  • code follows product standards
  • regression tests updated
  • unit-tests written

This is first phase of the implemntation before we will deep into refactoring required by #3333 task.

… was discovered during implementation such as Off by one, trans actinides misgrouping (Rf-Cn similar to Hf-Hg). Boundaries of aromatic elements extended now Po & At are aromatic like Te & I;
…-elements-and-test-to-fix-the-current-workflow
…hecks for all elements, enhancing coverage and maintainability
@AlexanderSavelyev AlexanderSavelyev merged commit 240a959 into master Apr 2, 2026
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@AlexanderSavelyev AlexanderSavelyev deleted the 3333-Adding-missing-elements-and-test-to-fix-the-current-workflow branch April 2, 2026 14:15
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Refactor elements and valency algorithm to make it easy to maintenance. Use BIOVIA post 2014 valence table to calculate atomic valences from molfiles

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