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Export of ambiguous monomers doesn't work (error appears) to any export format (even to SVG/PNG) except KET #2312

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AlexeyGirin opened this issue Sep 5, 2024 · 2 comments · Fixed by #2528 or #2530
Closed

Export of ambiguous monomers doesn't work (error appears) to any export format (even to SVG/PNG) except KET #2312

AlexeyGirin opened this issue Sep 5, 2024 · 2 comments · Fixed by #2528 or #2530
Labels
Bug Export to CDX Bucket: Bugs related to Export to CDX Export to CDXML Bucket: Bugs related to Export to CDXML Export to Extended SMILES Bucket: Bugs related to Export to Extended SMILES Export to MOL Bucket: Export to MOL related issues Export to RXN Bucket: Export to RXN related issues Export to SDF Bucket: Export to SDF related issues Export to SMARTS Bucket: Bugs related to Export to SMARTS Macro-Micro Bucket: Switching between Micro and Macro modes Priority: High
Milestone
Indigo-1.25.0-rc.2

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@AlexeyGirin
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AlexeyGirin commented Sep 5, 2024 •
edited
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Steps to Reproduce

  1. Toggle to Macro - Flex
  2. Put any ambiguous monomer on the canvas ( X peptide in my case)
    image
  3. Toggle to Molecules mode
  4. Press Save button

Note: It also doesn't save ambiguous monomers in macro mode to the following formats: MDL Mofile V3000, Sequence, FASTA, and IDT.

Actual behavior
System throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'molecule json loader: Unknows node type: ambiguousMonomer', 'RXN loader: bad header {', 'RXN loader: bad header {', 'molecule json loader: Unknows node type: ambiguousMonomer'
image

Expected behavior
No exception. Works as intended

Versions

  • Ketcher Version 2.25.0-rc.1 Build at 2024-09-03; 15:31:03
  • Indigo Toolkit Version 1.24.0-rc.1.0-gb8f099851-wasm32-wasm-clang-19.0.0
  • Chrome Version 128.0.6613.114 (Official Build) (64-bit)
  • Win10

Reference issues: epam/ketcher#4557
@AlexeyGirin AlexeyGirin added Bug Priority: High Export to MOL Bucket: Export to MOL related issues Export to SDF Bucket: Export to SDF related issues Export to RXN Bucket: Export to RXN related issues Export to Extended SMILES Bucket: Bugs related to Export to Extended SMILES Export to CDXML Bucket: Bugs related to Export to CDXML Export to CDX Bucket: Bugs related to Export to CDX Export to SMARTS Bucket: Bugs related to Export to SMARTS labels Sep 5, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.24.0-rc.2 milestone Sep 5, 2024
@AlexeyGirin AlexeyGirin added the Macro-Micro Bucket: Switching between Micro and Macro modes label Sep 5, 2024
@AlexeyGirin AlexeyGirin changed the title Export of ambiguous monomers doesn't work to any export format (even to SVG/PNG) except KET Export of ambiguous monomers doesn't work (error appears) to any export format (even to SVG/PNG) except KET Sep 17, 2024
@AlexeyGirin
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AlexeyGirin commented Sep 17, 2024 •
edited
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Split to two bugs - SVG/PNG (1.25) one and all the rest to second one (1.25)

AliaksandrDziarkach added a commit that referenced this issue Oct 7, 2024
@AliaksandrDziarkach
#2312 - Export of ambiguous monomers doesn't work (error appears) to…
81a8015 
… any export format (even to SVG/PNG) except KET

Fix code. Add UT.
AliaksandrDziarkach added a commit that referenced this issue Oct 8, 2024
@AliaksandrDziarkach
Backmerge: #2312 - Export of ambiguous monomers doesn't work (error a…
67c546f 
…ppears) to any export format (even to SVG/PNG) except KET

backmerge to master
This was linked to pull requests Oct 8, 2024
#2312 - Export of ambiguous monomers doesn't work (error appears) to any export format (even to SVG/PNG) except KET #2528
Merged
Backmerge: #2312 - Export of ambiguous monomers doesn't work (error appears) to any export format (even to SVG/PNG) except KET #2530
Merged
AlexanderSavelyev pushed a commit that referenced this issue Oct 8, 2024
@AliaksandrDziarkach
#2312 - Export of ambiguous monomers doesn't work (error appears) to …
a73614f 
…any export format (even to SVG/PNG) except KET (#2528)
AlexanderSavelyev pushed a commit that referenced this issue Oct 8, 2024
@AliaksandrDziarkach
Backmerge: #2312 - Export of ambiguous monomers doesn't work (error a…
b36c635 
…ppears) to any export format (even to SVG/PNG) except KET (#2530)
@AlexeyGirin
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Verified.
image

  • Ketcher Version 2.26.0-rc.2 Build at 2024-10-14; 19:59:03
  • Indigo Toolkit Version 1.25.0-rc.2.0-g867ae250b-wasm32-wasm-clang-19.0.0
  • Chrome Version 129.0.6668.101 (Official Build) (64-bit)
  • Win10

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Labels
Bug Export to CDX Bucket: Bugs related to Export to CDX Export to CDXML Bucket: Bugs related to Export to CDXML Export to Extended SMILES Bucket: Bugs related to Export to Extended SMILES Export to MOL Bucket: Export to MOL related issues Export to RXN Bucket: Export to RXN related issues Export to SDF Bucket: Export to SDF related issues Export to SMARTS Bucket: Bugs related to Export to SMARTS Macro-Micro Bucket: Switching between Micro and Macro modes Priority: High
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Milestone
Indigo-1.25.0-rc.2
3 participants
@AlexanderSavelyev @AliaksandrDziarkach @AlexeyGirin