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Error message when trying to calculate values of the structures with the hydrogen and dative bonds #540

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Svetlana-Asinovskaia opened this issue May 25, 2021 · 4 comments · Fixed by #815 or #823
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Error message when trying to calculate values of the structures with the hydrogen and dative bonds #540

Svetlana-Asinovskaia opened this issue May 25, 2021 · 4 comments · Fixed by #815 or #823
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@r1z3rISGOD @AllaZhbanova
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external Issue depends on external services such as Indigo service
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Release 2.4.0

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@Svetlana-Asinovskaia
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Svetlana-Asinovskaia commented May 25, 2021 •
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Tested on Ketcher v2.2.1-115-gaf97cc42

Steps to reproduce:

  1. Launch Ketcher.
  2. With the 'Hydrogen Bond' tool draw a bond on the canvas.
  3. Click on the 'Calculated Values' button.

Expected result: The fields in the "Calculated Values" window are filled with the correct data.
Actual result: An alert appears

  • "Error: IndigoException: molfile loader: unknown bond type: 10" (remote mode).
    image
  • "Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'molfile loader: unknown bond type: 10', 'molfile loader: unknown bond type: 10', 'RXN loader: bad header ', 'RXN loader: bad header " (standalone mode).
    image

The issue is reproduced with the structures with the dative bonds.
@Svetlana-Asinovskaia Svetlana-Asinovskaia added bug external Issue depends on external services such as Indigo service labels May 25, 2021
@Svetlana-Asinovskaia Svetlana-Asinovskaia added this to the Release 2.3.0 milestone May 25, 2021
@Svetlana-Asinovskaia
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Related issue epam/Indigo#413

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@AndreiMazol AndreiMazol self-assigned this Jul 20, 2021
@nseufulina nseufulina mentioned this issue Aug 11, 2021
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@r1z3rISGOD r1z3rISGOD linked a pull request Oct 4, 2021 that will close this issue
#678 cant open inchi auxinfo file #815
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@vitalgerko
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Reopen.
Only for Standalone version

Steps to reproduce:
1st case

  1. Launch Ketcher.
  2. With the 'Hydrogen Bond'/ 'Dative Bond' tools draw a bond on the canvas.
  3. Click on the 'Calculated Values' button.

Expected result: The fields in the "Calculated Values" window are filled with the correct data.
Actual result: The error appears in the console. The fields in the "Calculated Values" window aren't filled.
Actual result

2nd case

  1. Launch Ketcher.
  2. With the 'Any Bond'/ 'Aromatic Bond'/ 'Single/ Double Bond' / Single/ Aromatic Bond' / 'Double/ Aromatic Bond' tools draw a bond on the canvas.
  3. Click on the 'Calculated Values' button.

Expected result: There is no error in console. The fields in the "Calculated Values" window are contain text 'Cannot calculate properties for structures with query features'.
Expected result

Actual result: The error appears in the console. The fields in the "Calculated Values" window aren't filled.
Actual result_1

@vitalgerko vitalgerko reopened this Oct 4, 2021
@r1z3rISGOD r1z3rISGOD assigned r1z3rISGOD and unassigned AndreiMazol Oct 4, 2021
@r1z3rISGOD r1z3rISGOD linked a pull request Oct 5, 2021 that will close this issue
#540 calculate values inputs do not show errors #823
Merged
r1z3rISGOD pushed a commit that referenced this issue Oct 8, 2021
Merge branch 'master' into #540-calculate-values-inputs-do-not-handle…
22195db 
…-errors
r1z3rISGOD pushed a commit that referenced this issue Oct 8, 2021
Merge branch 'master' into #540-calculate-values-inputs-do-not-handle…
d2a1b49 
…-errors
r1z3rISGOD pushed a commit that referenced this issue Oct 8, 2021
Merge branch 'master' into #540-calculate-values-inputs-do-not-handle…
3bd7a21 
…-errors
r1z3rISGOD pushed a commit that referenced this issue Oct 8, 2021
Merge branch 'master' into #540-calculate-values-inputs-do-not-handle…
65f877c 
…-errors
AndreiMazol pushed a commit that referenced this issue Oct 8, 2021
@r1z3rISGOD
#540 calculate values inputs do not show errors (#823)
383f5f6 
* Change error handle to create new object with result errors

* Add error handler to analyse method

* Delete useless error handler in analyse method

* Return missed method call

Co-authored-by: Kirill Kapytov <[email protected]>
@vitalgerko vitalgerko assigned AllaZhbanova and unassigned vitalgerko Nov 1, 2021
@AllaZhbanova
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Fixed, tested v.2.4

@AllaZhbanova
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epam/Indigo#552

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@AllaZhbanova AllaZhbanova

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@AndreiMazol @r1z3rISGOD @Svetlana-Asinovskaia @vitalgerko @AllaZhbanova