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Incorrect valence for carbon atom in ring with attachment point after saving and reopening file #4777

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Zhirnoff opened this issue Jun 6, 2024 · 1 comment · Fixed by #4799 or #4809
Closed

Incorrect valence for carbon atom in ring with attachment point after saving and reopening file #4777

Zhirnoff opened this issue Jun 6, 2024 · 1 comment · Fixed by #4799 or #4809
Labels
Macro-Micro Bucket: Macro-Micro View related issues Priority: Medium
Milestone
Ketcher 2.22.0-rc.3

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@Zhirnoff
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Zhirnoff commented Jun 6, 2024 •
edited
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Description:

When saving a chemical structure in Ketcher that includes a ring with an attachment point connected to a macro structure, carbon atom in the ring is highlighted in red. This issue occurs across multiple file formats (MOLV3000, KET, SDF3000, SDFV2000).

Steps to Reproduce

  1. Open Ketcher.
  2. Draw a benzene ring
  3. Add an attachment point to the benzene ring
  4. Switch to Macro mode and connect attachment point to a macro structure
  5. Switch to Micro mode
  6. Save structure in all of the following formats: MOLV3000, KET, SDF3000, SDFV2000.
  7. Reopen saved files in micro mode

Actual behavior
The carbon atom in the ring with the attachment point is highlighted in red.
2024-06-06_14h03_05

Expected behavior
The carbon atom should not be highlighted in red. The structure should appear same as it was before saving.

2024-06-06_14h02_50

Attached saved files:
Saved files.zip

Desktop (please complete the following information):

  • OS: Windows 11
  • Browser Chrome
  • Version 124.0.6367.79 (Official Build) (64-bit)

Ketcher version
[Version 2.22.0-rc.2]

Refers to feature: #4530
@Zhirnoff Zhirnoff added bug Priority: Medium Macromolecules Macro-Micro Bucket: Macro-Micro View related issues labels Jun 6, 2024
@Zhirnoff Zhirnoff added this to the Ketcher 2.22.0-rc.3 milestone Jun 6, 2024
rrodionov91 added a commit that referenced this issue Jun 6, 2024
@rrodionov91
#4777 - Incorrect valence for carbon atom in ring with attachment poi…
7e57334 
…nt after saving and reopening file

- added ignoring of leaving groups connection count for valence warning calculation if there is connection to attachment point
@rrodionov91 rrodionov91 linked a pull request Jun 6, 2024 that will close this issue
#4777 - Incorrect valence for carbon atom in ring with attachment point after saving and reopening file #4799
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Jun 7, 2024
@rrodionov91
#4777 - Incorrect valence for carbon atom in ring with attachment poi…
c47ef54 
…nt after saving and reopening file

- added ignoring of leaving groups connection count for valence warning calculation if there is connection to attachment point
@rrodionov91 rrodionov91 linked a pull request Jun 7, 2024 that will close this issue
Backmerge: #4777 - Incorrect valence for carbon atom in ring with attachment point after saving and reopening file #4809
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Jun 7, 2024
@rrodionov91
#4777 - Incorrect valence for carbon atom in ring with attachment poi…
fff9108 
…nt after saving and reopening file (#4799)

- added ignoring of leaving groups connection count for valence warning calculation if there is connection to attachment point
- fixed case with "add to canvas" pasting
rrodionov91 added a commit that referenced this issue Jun 7, 2024
@rrodionov91
Backmerge: #4777 - Incorrect valence for carbon atom in ring with att…
32d968e 
…achment point after saving and reopening file (#4809)

- added ignoring of leaving groups connection count for valence warning calculation if there is connection to attachment point
- fixed case with "add to canvas" pasting
@Zhirnoff
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2024-06-10_16h54_05
Tested. Bug is fixed.

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 124.0.6367.79 (Official Build) (64-bit)

Ketcher version
[Version 2.22.0-rc.3]
Indigo version
[Version 1.21.0-rc.1]

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Labels
Macro-Micro Bucket: Macro-Micro View related issues Priority: Medium
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Milestone
Ketcher 2.22.0-rc.3
1 participant
@Zhirnoff