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(SMILES format) Structure is missing and a new structure is formed when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. #871

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Zhirnoff opened this issue Oct 11, 2022 · 1 comment
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(SMILES format) Structure is missing and a new structure is formed when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. #871

Zhirnoff opened this issue Oct 11, 2022 · 1 comment
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@even1024
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indigo-1.8.1

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@Zhirnoff
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Zhirnoff commented Oct 11, 2022 •
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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 Daylight SMILE and Extended SMILE format
  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 Daylight SMILE the arrow disappears and structure rotate, and when opening Extended SMILE a new structure is formed.

Attachments
2022-10-11_12h23_51

Indigo/Bingo version
Indigo Toolkit
Version 1.7.4.0-g86f1ef175-x86_64-linux-gnu-11.2.1
Ketcher issue: epam/ketcher#1836
@Zhirnoff Zhirnoff added the Bug label Oct 11, 2022
@Zhirnoff Zhirnoff added this to the indigo-1.8.1 milestone Oct 11, 2022
@Zhirnoff Zhirnoff changed the title (SMILES format) Structure is missing and a new structure is formed when "Past from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. (SMILES format) Structure is missing and a new structure is formed when "Paste from clipboard" or "Open from file" if reaction consists of two or more reaction arrows and structures. Nov 11, 2022
@Zhirnoff Zhirnoff mentioned this issue Nov 11, 2022
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@even1024 even1024 mentioned this issue Nov 15, 2022
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@even1024
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fixed in 1.8.1

@Zhirnoff Zhirnoff reopened this Dec 2, 2022
@Zhirnoff Zhirnoff modified the milestones: indigo-1.8.1, indigo-1.9.0 Dec 2, 2022
@Zhirnoff Zhirnoff closed this as completed Dec 2, 2022
@Zhirnoff Zhirnoff modified the milestones: indigo-1.9.0, indigo-1.8.1 Dec 2, 2022
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@even1024 even1024

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@AlexanderSavelyev @even1024 @Zhirnoff