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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
Closed
Zhirnoff opened this issue
Nov 11, 2022
· 1 comment
Add a reaction with multiple (more than one reaction arrow) as shown in the image
Save file in MDL Rxnfile V2000 and MDL Rxnfile V3000
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
Indigo/Bingo version Indigo Toolkit
Version 1.7.4.0-g86f1ef175-x86_64-linux-gnu-11.2.1
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
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
Steps to Reproduce
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
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
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