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Structure appears distorted after saving and reopening in MOL V2000 format #4785

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Zhirnoff opened this issue Jun 6, 2024 · 2 comments
Closed

Structure appears distorted after saving and reopening in MOL V2000 format #4785

Zhirnoff opened this issue Jun 6, 2024 · 2 comments
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@rrodionov91
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bug Macro-Micro Bucket: Macro-Micro View related issues Priority: Medium
Milestone
Ketcher 2.24.0-rc.1

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@Zhirnoff
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Zhirnoff commented Jun 6, 2024 •
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Description:
When saving a chemical structure in MOL V2000 format and then reopening file, structure appears distorted. The carbon atom in the ring with attachment point is highlighted in red, and additional annotations or modifications appear incorrectly.

Steps to Reproduce

  1. Open Ketcher.
  2. Draw a benzene ring
  3. Add an attachment point to the benzene ring via right click menu
  4. Switch to Macro mode and connect attachment point to a macro structure
  5. Switch to Micro mode
  6. Save structure in MOLV2000 format
  7. Reopen saved file in micro mode

Actual behavior
Upon reopening, structure appears distorted, as shown in attached screenshots. The carbon atom is highlighted in red, and the structure includes unexpected annotations and modifications.
2024-06-06_14h59_06

2024-06-06_14h59_23.mp4

Expected behavior
The structure should appear same as it was before saving, without any distortions or unexpected modifications.
2024-06-06_14h02_50

Attached saved file:

ketcherv2000.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 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 rrodionov91 self-assigned this Jun 7, 2024
rrodionov91 added a commit that referenced this issue Jun 7, 2024
@rrodionov91
#4785 - Structure appears distorted after saving and reopening in MOL…
78cc281 
… V2000 format

- fixed saving superatoms with attachment points without labels in molV2000
- partially fixed saving monomers to molV2000
@rrodionov91 rrodionov91 linked a pull request Jun 7, 2024 that will close this issue
#4785 - Structure appears distorted after saving and reopening in MOLV2000 format #4814
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@rrodionov91
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fixed in #4973

@AlexeyGirin
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Fixed.
image

  • Ketcher Version 2.23.0-rc.3 Build at 2024-07-31; 05:31:01
  • Indigo Toolkit Version 1.23.0-dev.2.1-gd93b8ec4-wasm32-wasm-clang-12.0.0
  • Windows 10 Pro
  • Chrome Version 127.0.6533.89 (Official Build) (64-bit)

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@rrodionov91 rrodionov91

Labels
bug Macro-Micro Bucket: Macro-Micro View related issues Priority: Medium
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Milestone
Ketcher 2.24.0-rc.1
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#4785 - Structure appears distorted after saving and reopening in MOLV2000 format epam/ketcher
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@rrodionov91 @AlexeyGirin @Zhirnoff