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Stereocenter should disappear after replacing the stereobond with the dative bond or the double cis/trans bond. #554

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Svetlana-Asinovskaia opened this issue May 31, 2021 · 1 comment · Fixed by #575
Closed

Stereocenter should disappear after replacing the stereobond with the dative bond or the double cis/trans bond. #554

Svetlana-Asinovskaia opened this issue May 31, 2021 · 1 comment · Fixed by #575
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@AndreiMazol @Svetlana-Asinovskaia
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enhancement epic: enhanced stereochemistry
Milestone
Release 2.3.0

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@Svetlana-Asinovskaia
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Tested on Ketcher v2.2.1-123-gea6bc4d0

Steps to reproduce:

  1. Launch Ketcher.
  2. Create a structure on the canvas (e.g. chain).
  3. Sprout a Single Up/Single Down/Single Up/Down bond from one of the atoms.
  4. Replace the stereobond with the dative bond or the double cis/trans bond.

Expected result: The stereobond is replaced with the dative bond or the double cis/trans bond. No stereoflag and stereomarks are present on the canvas. It's not possible to open the "Enhanced Stereochemistry" window and assign the stereomarks.

Actual result: The stereobond is replaced with the dative bond or the double cis/trans bond. Stereoflag is present on the canvas. It's possible to open the "Enhanced Stereochemistry" window and assign the stereomarks.

image
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@Svetlana-Asinovskaia Svetlana-Asinovskaia added this to the Backlog milestone May 31, 2021
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@Svetlana-Asinovskaia Svetlana-Asinovskaia changed the title Stereocenter doesn't disappear after replacing the stereobond with the dative bond or the double cis/trans bond. Stereocenter should disappear after replacing the stereobond with the dative bond or the double cis/trans bond. May 31, 2021
@AndreiMazol AndreiMazol modified the milestones: Backlog, Release 2.3.0 Jun 3, 2021
@Svetlana-Asinovskaia Svetlana-Asinovskaia mentioned this issue Jun 7, 2021
Closed
@AndreiMazol AndreiMazol linked a pull request Jun 7, 2021 that will close this issue
#554 Stereocenter should disappear after replacing the stereobond with the dative bond or the double cis/trans bond #575
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AndreiMazol added a commit that referenced this issue Jun 7, 2021
@AndreiMazol
#554 Stereocenter should disappear after replacing the stereobond wit…
cbb822c 
…h the dative bond or the double cis/trans bond (#575)

* update priority of operations

* fix flipping of dative bonds

* recalculate stereo flag is cis/trans bond is used

* set AtomAttr priority equals 1
@Svetlana-Asinovskaia
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Release/2.3. The issue is closed as fixed.

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@AndreiMazol AndreiMazol

@Svetlana-Asinovskaia Svetlana-Asinovskaia

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enhancement epic: enhanced stereochemistry
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Milestone
Release 2.3.0
3 participants
@AndreiMazol @Svetlana-Asinovskaia @AleksandrPokrovskii