Save multi reactions (pathway, single, edge cases) to RDF

[ivanmaslow]

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

Acceptance Criteria:

• User can save any kind of pathway or single reactions to RDF
• Save to RDF option will be available always.
• In cases, if there will be no reactions found - error should be displayed while saving to RDF.
• Static objects and reagents should be ignored.
• Separate molecules should be merged on Save or Layout actions to the nearest reactant/product of reaction or empty place near arrow without reactant/product
• After saving to the RDF file, the ordering of separate cascade reactions in the RDF file should be the same as on Canvas, so after loading the saved RDF file the user will see the same order

[ivanmaslow]

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)

Tasks below are tested too in scope of this task:

• Save single pathway reaction to RDF Format #2235
• Save Support for RDF Format ketcher#5296

Points below are covered during testing, tests are updated:

• New RDF V2000/V3000 options are added to file format dropdown:
  

• If no arrows are on Canvas and the user selects RDF V2000/V3000, an error appears:
  

• User can save different types of reactions (single, cascade, combinations) to RDF V2000/V3000, structure of file is displayed on preview:
  

• Reactions with Multi-Tailed Arrow, single arrow can be loaded from ket, RDF or added by tools and after that saved to RDF V2000/V3000

• Single reactions with pluses (1) can be saved to RDF, but after loading they will be displayed with Multi-Tailed arrow, products will be merged (2):
  

• The error is displayed if user tries to save Multi-Tailed arrow to one of not appropriate formats SDF V2000, SDF V3000, InChlm, InChl AuxInfo, InchlKey:
  

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:

• The ordering of branches of cascade reactions and reactions themselves should be the same on Load/Save from/to RDF  #2407
• When several reactions on canvas are positioned one under another, reaction(s) can't be saved correctly to RXN or RDF #2454
• The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead) ketcher#5651
• Duplicated $RDFILE $DATM records are displayed on save preview for RDF V2000/V3000 formats on Remote environment #2543
• Reactions are saved with the incorrect quantity of reactants if the continuation of several tails is matched to one reactant #2426
• User can't correctly save (or make a layout) to RDF/RXN reaction several products or with separate positioned molecules #2412
• If reagents are on Canvas for cascade reaction, it can't be correctly saved to RXN/RDF #2550
• Can't correctly save specific cascade reaction with 3 tails to RXN/RDF #2551
• Intermediate reaction products can't be recognized on Save to RDF/Layout if there are more than one product #2416