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RXN files: structure is missing when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. #1837

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Zhirnoff opened this issue Nov 11, 2022 · 1 comment
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bug external Issue depends on external services such as Indigo service

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@Zhirnoff
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Zhirnoff commented Nov 11, 2022

Steps to Reproduce

  1. Open Ketcher v2.5.2
  2. Add a reaction with multiple (more than one reaction arrow) as shown in the image
  3. Save file in MDL Rxnfile V2000 and MDL Rxnfile V3000
  4. Paste files from clipboard or open saved files from saved directory.

Expected behavior
Structure is correctly opens from saved files. Keep only first reaction arrow and keep all structures (all intermediate structures should be products and the arrow is replaced by a plus)

Actual behavior
In MDL Rxnfile V2000 the arrow disappears, and when opening MDL Rxnfile V3000 the arrow and structure disappear

Attachments
2022-10-07_14h54_14

Indigo/Bingo version
Indigo Toolkit
Version 1.7.4.0-g86f1ef175-x86_64-linux-gnu-11.2.1

Additional context
Indigo issue: epam/Indigo#870

@Zhirnoff Zhirnoff added the bug label Nov 11, 2022
@Zhirnoff Zhirnoff added this to the Release 2.7.0 milestone Nov 11, 2022
@Zhirnoff Zhirnoff changed the title (RXN files) structure is missing when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. RXN files: structure is missing when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. Nov 24, 2022
@Nitvex Nitvex modified the milestones: Release 2.7.0, Release 2.8.0 Nov 24, 2022
@Zhirnoff Zhirnoff added the external Issue depends on external services such as Indigo service label Dec 2, 2022
@Zhirnoff Zhirnoff closed this as completed Dec 2, 2022
@vitaepam
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vitaepam commented Sep 4, 2023

While writing test in this task #3181 found out like it's reproducing again
At least for V2000 RXN files. Maybe it's somehow expected behaviour. @Zhirnoff need your clarifications
Screenshot 2023-09-04 at 10 16 33

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