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Pathway reactions and multi-tail support in CDX/CDXML/Base 64 CDX #2238

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ivanmaslow opened this issue Aug 15, 2024 · 3 comments · Fixed by #2548
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Pathway reactions and multi-tail support in CDX/CDXML/Base 64 CDX #2238

ivanmaslow opened this issue Aug 15, 2024 · 3 comments · Fixed by #2548
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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
Milestone
Indigo-1.25.0-rc.2

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@ivanmaslow
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ivanmaslow commented Aug 15, 2024 •
edited by yauhen-karmyzau
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Saved pathway in CDX can be loaded in Ketcher with appropriate positions.
Multi-tailed arrows should be ignored as CDX is not support such items.
@ivanmaslow ivanmaslow added MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes Cascade reactions labels Aug 15, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.24.0-rc.1 milestone Aug 23, 2024
@Zhirnoff Zhirnoff mentioned this issue Sep 26, 2024
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@Zhirnoff Zhirnoff added the Test Cases Written Test cases has been written for that issue label Sep 30, 2024
@AlexeyGirin
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No development needed. Need to test and create bugs if any

@Zhirnoff
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Zhirnoff commented Oct 9, 2024

Tested. Reopened.
Currently, when saving cascade reactions in CDXML, some elements are lost when opening the saved file (see screenshots). When saving in CDX, the file cannot be opened, and it's impossible to save in Base64CDX. I checked, and we already have a bug for this: #2433. A fix is planned to be reviewed in 1.25.0-rc.2

Original structure:
2024-10-09_15h57_31

After opening from CDXML:
2024-10-09_15h58_04

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 128.0.6613.120 (Official Build) (64-bit)

Ketcher version
[Version 2.26.0-rc.1]
Indigo version
[Version 1.25.0-rc.1]

@Zhirnoff Zhirnoff reopened this Oct 9, 2024
@even1024 even1024 linked a pull request Oct 11, 2024 that will close this issue
Backmegre: #2422 - Indigo functions doesn't work prorerly: Aromatize, Dearomatize, Layout, Clean Up, Hydrogens, Auto-Mapping Tool #2548
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@Zhirnoff
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Tested. Bug fixed.
2024-10-15_16h05_04
2024-10-15_16h05_58

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 128.0.6613.120 (Official Build) (64-bit)

Ketcher version
[Version 2.26.0-rc.2]
Indigo version
[Version 1.25.0-rc.2]

@Zhirnoff Zhirnoff mentioned this issue Oct 22, 2024
Closed
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@even1024 even1024

Labels
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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Milestone
Indigo-1.25.0-rc.2
5 participants
@even1024 @AlexeyGirin @Zhirnoff @ivanmaslow @yauhen-karmyzau