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Position single elements and reactions, not included to the first cascade reaction #2102

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yauhen-karmyzau opened this issue Jul 8, 2024 · 0 comments · Fixed by #2295
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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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@yauhen-karmyzau
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yauhen-karmyzau commented Jul 8, 2024

As a User, I want any reactions or elements in the RDF file that are not included in the reaction tree to be placed below the reaction tree on the canvas, so that I can view all the data from the RDF file in a structured and organized manner.

Acceptance Criteria:

  1. The application should identify any reactions or elements in the loaded RDF file that are not included in the reaction tree.

  2. Reactants and products without match should be understand as a separate reactions.

  3. These identified reactions or elements should be placed on the canvas below the reaction tree. They should not overlap with the reaction tree or with each other.

  4. Reactions not included to a pathway reaction, should be displayed as separate multi-tail reactions.

    • The case in RDF a+b->c, d+e->f, c+g->h. After loading we will have a pathway for a+b->c, c+g->h and another reaction separately d+e->f
  5. Reactions with more than one product can be a part of pathway reaction if the match happens, they will be displayed without pluses, otherwise reactions will be displayed as separate ones with a multi-tail arrow when we have several reactants and with a single arrow when we have 1 reactant

  6. TBD: Molecule with atoms that are placed on the same position can be loaded as reactants or products in pathway reaction - issues with existing behavior, defects are reported - "Convert error! metalayout: average bond length is too small" error appears when loading from RDF and RXN V2000/V3000 reactions with molecules with 0 coordinates #2431, Molecule with 0 coordinates in MOL V2000 is displayed incorrectly on Canvas after loading #2432

  7. Reagents should be ignored (TBD - create a task for case where reagents can be recognized)

  8. In case of empty RDF (no reactions, reactants or products), nothing should be added to the canvas.

  9. In cases of one reactant or one product in pathway reaction, it should works as for single arrow in RXN

  10. RDF file can be recognized if there are reactions, RDF file with molecules only can't be recognized - error is displayed

  11. After loading from the RDF file, the ordering of separate cascade reactions on Canvas should be the same as in the RDF file


  1. The placement of these reactions or elements should be done in an organized manner, maintaining a clear separation between the reaction tree and the additional reactions or elements.
  2. The user should be able to view and interact with these additional reactions or elements just like any other elements on the canvas.
  3. The application should handle the display of multiple additional reactions or elements, ensuring that all are visible and distinguishable.
@yauhen-karmyzau yauhen-karmyzau added Cascade reactions MMPK Scope for Pathway reactions, View-only mode, Static images, Custom buttons and Ketcher API changes labels Jul 8, 2024
@ivanmaslow ivanmaslow changed the title Position single elements and reaction, not included to a cascade reaction Position single elements and reactions, not included to the first cascade reaction Aug 13, 2024
@yauhen-karmyzau yauhen-karmyzau assigned even1024 and unassigned nupagadi Aug 26, 2024
@ivanmaslow ivanmaslow added this to the Indigo-1.24.0-rc.1 milestone Aug 28, 2024
@even1024 even1024 linked a pull request Sep 4, 2024 that will close this issue
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@ivanmaslow ivanmaslow added the Test Cases Written Test cases has been written for that issue label Sep 24, 2024
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