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Save Support for RDF Format #5296

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ivanmaslow opened this issue Aug 15, 2024 · 1 comment · Fixed by #5608
Closed

Save Support for RDF Format #5296

ivanmaslow opened this issue Aug 15, 2024 · 1 comment · Fixed by #5608
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Cascade reactions MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes

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@ivanmaslow
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ivanmaslow commented Aug 15, 2024

As a User, I want to have the ability to save my data in RDF format, So that I can easily exchange data with other applications that use the same format.

Acceptance Criteria:

  1. When I am using the Ketcher application, I should see an option to save my data in RDF V2000 and RDF V3000 format under File format
    menu.
    Image

  2. RDF V2000 and RDF V3000 should be displayed after "SDF" option.

  3. When I choose to save my data in RDF format, the application should convert my data into RDF format and save it to the specified location.

  4. I should be able to name the RDF file during the save process and the file extension should be .rdf.

  5. If a user added multi-tailed arrow to Canvas, the default save option should be changed from MDL Molfile V2000 to MDL Rxnfile V2000 (also MDL Molfile V3000 should be changed to MDL Rxnfile V3000)

  6. Saving/loading of reaction with Multi-Tailed Arrow should work as for .RXN with the single arrow:

    • Save a reaction with Multi-Tailed Arrow SDF V2000, SDF V3000, InChlm InChl AuxInfo, InchlKey - the "Convert error! core: is not a base molecule" error is displayed:
      image
    • Save a reaction with Multi-Tailed arrow to Daylight SMARTS, Daylight SMILES or Extended SMILES, CML should save the root reaction as it work for reaction with the single arrow in RXN
  7. Errors and warnings will be covered in scope of Warning or error messages appear when the user tries to save a Multi-Tailed Arrow to inappropriate formats #5338

@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
@ivanmaslow ivanmaslow changed the title [Ketcher] Save Support for RDF Format Save Support for RDF Format Aug 15, 2024
@daniil-sloboda daniil-sloboda linked a pull request Sep 30, 2024 that will close this issue
9 tasks
daniil-sloboda added a commit that referenced this issue Oct 2, 2024
daniil-sloboda added a commit that referenced this issue Oct 2, 2024
rrodionov91 pushed a commit that referenced this issue Oct 2, 2024
* #5296 - Implemented save to rdf, fixed view only 3d mode

* #5296 - reverted indigo version

* #5296 - updated test snapshot
@ivanmaslow ivanmaslow added the Test Cases Written Test cases has been written for that issue label Oct 2, 2024
@ivanmaslow
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It will be tested in the scope of epam/Indigo#2237, please check this task for more details.

@ivanmaslow ivanmaslow removed the Test Cases Written Test cases has been written for that issue label Oct 10, 2024
Guch1g0v pushed a commit that referenced this issue Oct 17, 2024
* #5296 - Implemented save to rdf, fixed view only 3d mode

* #5296 - reverted indigo version

* #5296 - updated test snapshot
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Cascade reactions MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes
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