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Wrong error message if SMILES phosphate has lack of attachemt point #2361

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AlexeyGirin opened this issue Sep 12, 2024 · 1 comment · Fixed by #2715
Closed

Wrong error message if SMILES phosphate has lack of attachemt point #2361

AlexeyGirin opened this issue Sep 12, 2024 · 1 comment · Fixed by #2715
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@AliaksandrDziarkach
Labels
Bug HELM Bucket: Bugs related to Export to HELM format Priority: Low Test Automation affected That issue affect on existed auto test, please update screenshots after fix
Milestone
Indigo-1.28.0-rc....

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@AlexeyGirin
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AlexeyGirin commented Sep 12, 2024 •
edited
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Steps to Reproduce

  1. Toggle to Macro - Flex mode
  2. Load HELM from paste from clipboard way: RNA1{R[P(O)(O)(=O)O]}$$$$V2.0
    image

Actual behavior
System throws an error: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'SEQUENCE loader: Monomer template with class 'Phosphate' and alias 'P(O)(O)(=O)O' not found in monomer librarys'
image

Expected behavior
System throws an error: Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'Ket Base Monomer: Unknown attachment point 'R1' in monomer Mod0'
image

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: #2189
@AlexeyGirin AlexeyGirin added Bug Priority: Low HELM Bucket: Bugs related to Export to HELM format labels Sep 12, 2024
@AlexeyGirin AlexeyGirin added this to the Indigo-1.25.0-rc.1 milestone Sep 12, 2024
@AlexeyGirin AlexeyGirin added the Test Automation affected That issue affect on existed auto test, please update screenshots after fix label Dec 17, 2024
@AliaksandrDziarkach AliaksandrDziarkach closed this as not planned Won't fix, can't repro, duplicate, stale Dec 19, 2024
@AliaksandrDziarkach AliaksandrDziarkach self-assigned this Dec 27, 2024
@AliaksandrDziarkach AliaksandrDziarkach changed the title Wrong error message if SMILES phosphate has lack of connections to be attached to sugar (RNA1{R[P(O)(O)(=O)O]}$$$$V2.0) Wrong error message if SMILES phosphate has lack of attachemt point Dec 27, 2024
AliaksandrDziarkach added a commit that referenced this issue Dec 27, 2024
@AliaksandrDziarkach
#2361 - Wrong error message if SMILES phosphate has lack of attachem…
0fe31d6 
…t point

Fix code. Add UT
AlexanderSavelyev pushed a commit that referenced this issue Dec 27, 2024
@AliaksandrDziarkach
#2361 - Wrong error message if SMILES phosphate has lack of attachem…
f191642 
…t point (#2715)
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Dec 27, 2024 that will close this issue
#2361 - Wrong error message if SMILES phosphate has lack of attachemt point #2715
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@Zhirnoff
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Zhirnoff commented Jan 3, 2025

Tested. Bug fixed.
2025-01-03_11h50_00

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 131.0.6778.205 (Official Build) (64-bit)

Ketcher version
[Version 3.0.0-rc.1]
Indigo version
[Version 1.28.0-rc.1]

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@AliaksandrDziarkach AliaksandrDziarkach

Labels
Bug HELM Bucket: Bugs related to Export to HELM format Priority: Low Test Automation affected That issue affect on existed auto test, please update screenshots after fix
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Milestone
Indigo-1.28.0-rc.1 (Stabilization)
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#2361 - Wrong error message if SMILES phosphate has lack of attachemt point epam/Indigo
5 participants
@AlexanderSavelyev @even1024 @AliaksandrDziarkach @AlexeyGirin @Zhirnoff