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Update Save to RXN for pathway reactions #2234

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ivanmaslow opened this issue Aug 15, 2024 · 3 comments
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Update Save to RXN for pathway reactions #2234

ivanmaslow opened this issue Aug 15, 2024 · 3 comments
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@even1024
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Cascade reactions MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes Test Cases Written Test cases has been written for that issue
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Indigo-1.25.0-rc.1

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@ivanmaslow
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ivanmaslow commented Aug 15, 2024 •
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  • User can save only one reaction with Multi-Tailed arrow (simple reaction) to RXN, after loading from RXN it will be displayed as a simple reaction (plus and arrow) 
  • When user saves several reactions or cascade reactions with multi-tailed or single arrows only the first root reaction is saved
@ivanmaslow
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Discussed with @AlexanderSavelyev - it's blocked by #2235

@ivanmaslow ivanmaslow added Cascade reactions MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes labels Aug 15, 2024
@yauhen-karmyzau yauhen-karmyzau added this to the Indigo-1.24.0-rc.1 milestone Aug 28, 2024
@yauhen-karmyzau
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Implemented in scope #2237

@ivanmaslow ivanmaslow mentioned this issue Oct 1, 2024
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@ivanmaslow ivanmaslow added the Test Cases Written Test cases has been written for that issue label Oct 3, 2024
This was referenced Oct 3, 2024
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@ivanmaslow
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ivanmaslow commented Oct 11, 2024 •
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Exploratory testing is completed on RC Remote environment:

  • Ketcher [Version 2.26.0-rc.1] Build at 2024-10-04; 18:45:04
  • Indigo Version 1.25.0-rc.1.0-g704673fcb-x86_64-linux-gnu-11.2.1
  • Desktop, Windows 11 Enterprise
  • Chrome Version 129.0.6668.100 (Official Build) (64-bit)

Points below are covered during testing, tests are updated:

  • If user added Multi-Tailed Arrow to Canvas, option of saving to RXN V2000/V3000 is available:
    image
  • If different types of reactions (single, cascade, combinations) are on Canvas, after saving to RXN V2000/V3000 the only one root reaction is saved, structure of the file is displayed on preview:
    image
  • Single reactions with Multi-Tailed arrow (1) can be saved to MDL Rxnfile V2000/MDL Rxnfile V3000/Daylight Smarts/Daylight SMILES/Extended SMILES, but after loading they will be displayed (2) with single arrows and pluses:
    image
  • Reactions with Multi-Tailed or single arrows can be loaded from ket, RDF or added by tools and after that saved to RXN V2000/V3000

During exploratory testing a huge part of tests fail because of opened defects, they will be fixed according to priority and selected milestones. Retesting is required after fixing because the core functionality is affected, also behavior can be affected by fixes for #2237:

@Zhirnoff Zhirnoff mentioned this issue Oct 28, 2024
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@even1024 even1024

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Cascade reactions MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes Test Cases Written Test cases has been written for that issue
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Indigo-1.25.0-rc.1
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