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Adding a stereo flag when opening the structure #632

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AleksandrPokrovskii opened this issue Jul 14, 2021 · 2 comments · Fixed by #655 or #666
Closed

Adding a stereo flag when opening the structure #632

AleksandrPokrovskii opened this issue Jul 14, 2021 · 2 comments · Fixed by #655 or #666
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@MagomedGasanov @AleksandrPokrovskii
Milestone
Release 2.3.0

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@AleksandrPokrovskii
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AleksandrPokrovskii commented Jul 14, 2021 •
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Steps to Reproduce

  1. Launch Ketcher
  2. Add stereo bond (e.g. Single Up Bond)
  3. Click the 'Save As' button and save as *.mol file.
  4. Open the saved *.mol file.

Expected behavior
Stereo flag is not displayed
image

Actual behavior
Stereo flag is displayed
image

Additional context
IE: Adding a stereo flag when copy/paste or cut/paste a stereo bond.
@AleksandrPokrovskii AleksandrPokrovskii changed the title IE: Adding a stereo flag when copying a stereo bond Adding a stereo flag when opening the structure Jul 14, 2021
@AndreiMazol AndreiMazol added this to the Release 2.3.0 milestone Jul 15, 2021
@nseufulina
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All bonds from Single/Double bonds segment has this issue:
Expected behavior
Stereo flag is not displayed
image

Actual behavior:
Stereo flag is displayed
image

@MagomedGasanov MagomedGasanov linked a pull request Jul 19, 2021 that will close this issue
#632 Adding a stereo flag when opening the structure #655
Merged
MagomedGasanov added a commit that referenced this issue Jul 19, 2021
@MagomedGasanov
Merge branch 'release/2.3' of https://github.com/epam/ketcher.git into …
1bb707b 
…#632-Adding-a-stereo-flag-when-opening-the-structure
AndreiMazol pushed a commit that referenced this issue Jul 19, 2021
@MagomedGasanov
#632 Adding a stereo flag when opening the structure (#655)
3295523 
* Move isCorrectStereoCenter func to core

* Move isStereoCanter from Struct to helpers/utils

* Rename ValidateStereo tp StereoValidator
@AleksandrPokrovskii
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The stereo flag is saved when copying, but it should not.

Steps to Reproduce:

  1. Launch Ketcher
  2. Add chain
  3. Add stereo bond (e.g. Single Up Bond)
  4. Сopy a part of the structure so that the stereo atom is the last
  5. Paste the copied structure

Expected behavior
Stereo flag is not displayed
image

Actual behavior
Stereo flag is displayed
image

@MagomedGasanov MagomedGasanov linked a pull request Jul 20, 2021 that will close this issue
#632 Adding a stereo flag when opening the structure p2 #666
Merged
AndreiMazol pushed a commit that referenced this issue Jul 21, 2021
@MagomedGasanov
#632 Adding a stereo flag when opening the structure p2 (#666)
585fe40 
* Fix copy a part of structure with stereo

* Update stereolabels for all formats of structs

* Fix stereflag

* Fix copy single atom

* Fix single atom merge stereoUpdate

* Fix one atom merge update stereoflag
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@MagomedGasanov MagomedGasanov

@AleksandrPokrovskii AleksandrPokrovskii

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Release 2.3.0
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@MagomedGasanov @AndreiMazol @AleksandrPokrovskii @nseufulina