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Unable to save micro-molecule connected to CHEM to HELM #2073

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AlexeyGirin opened this issue Jul 3, 2024 · 3 comments · Fixed by #2281
Closed

Unable to save micro-molecule connected to CHEM to HELM #2073

AlexeyGirin opened this issue Jul 3, 2024 · 3 comments · Fixed by #2281
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@AliaksandrDziarkach
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Bug HELM Bucket: Bugs related to Export to HELM format Priority: Medium
Milestone
Indigo-1.24.0-rc.1

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@AlexeyGirin
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Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Load from file: Unable to save micro-molecule connected to CHEM to HELM.zip
    image
  3. Save canvas to HELM

Actual behavior
System throws exception: Convert error! map::at: key not found
image

Expected behavior
Export result: CHEM1{[A6OH]}|CHEM2{[C1C=CC=C%91C%92=1.[*:1]%92.[*:2]%91 |$;;;;;;_R1;_R2$|]}$CHEM1,CHEM2,1:R1-1:R2$$$V2.0

Versions

  • Ketcher Version 2.23.0-rc.1 Build at 2024-07-02; 08:57:41
  • Indigo Toolkit Version 1.22.0-rc.1.0-g2bef0ce6c-wasm32-wasm-clang-19.0.0
  • Windows 10 Pro
  • Chrome Version 126.0.6478.127 (Official Build) (64-bit)

Issue found while testing - #1188
@AlexeyGirin AlexeyGirin added Bug Priority: Medium HELM Bucket: Bugs related to Export to HELM format labels Jul 3, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.22.0-rc.2 milestone Jul 3, 2024
@AlexeyGirin
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Decided to show correct error message till in-line smiles support
(by @vanoprenko )

@AlexeyGirin
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RE-CHECK

@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Sep 2, 2024 that will close this issue
#2189 HELM 2 support: support for SMILES #2281
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7 tasks
@Zhirnoff Zhirnoff mentioned this issue Sep 13, 2024
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@Zhirnoff
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Zhirnoff commented Sep 5, 2024 •
edited
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Tested. Able to save micro-molecule connected to CHEM to HELM.
2024-09-05_11h38_16

But we have another bug epam/ketcher#5513

Desktop:

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

Ketcher version
[Version 2.25.0-rc.1]
Indigo version
[Version 1.24.0-rc.1]

AliaksandrDziarkach pushed a commit that referenced this issue Sep 24, 2024
#2073 - Unable to save micro-molecule connected to CHEM to HELM
08aee7f 
Fix code. Add UT.
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@AliaksandrDziarkach AliaksandrDziarkach

Labels
Bug HELM Bucket: Bugs related to Export to HELM format Priority: Medium
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Milestone
Indigo-1.24.0-rc.1
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Successfully merging a pull request may close this issue.

#2189 HELM 2 support: support for SMILES epam/Indigo
4 participants
@even1024 @AliaksandrDziarkach @AlexeyGirin @Zhirnoff