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getSmiles and getSmarts on query feature containing aromatic ring raises an error #4002

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emripka opened this issue Jan 31, 2024 · 3 comments
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@emripka
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emripka commented Jan 31, 2024

Steps to Reproduce

  1. Draw a benzene ring with an A on one of the carbons:
    image
  2. In console, type: await ketcher.getSmiles(); or await ketcher.getSmarts();
  3. See error message:

Uncaught Error: Convert error!
Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'molecule json loader: 'A' label is allowed only for queries', 'RXN loader: bad header {', 'RXN loader: bad header {', 'molecule json loader: implicitHCount is allowed only for molecules'

Actual behavior
An error is raised when it did not use to be in previous ketcher versions (last known working version on our side was: 2.7.2).

Expected behavior
I would expect that a string would be returned in both situations, with the associated query feature as * in this case.

Desktop (please complete the following information):

  • OS: Windows
  • Browser Chrome
  • Version 121.0.6167.86

Ketcher version
v2.15.0

@emripka
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emripka commented Jan 31, 2024

looks like same error message shown here: #3779

@emripka
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emripka commented Jan 31, 2024

also perhaps related: #1452

@emripka
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emripka commented Feb 15, 2024

@Nitvex bump on this. this is a regression in functionality and is breaking many user experiences.

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