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The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead) #5651

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AnnaKosol opened this issue Oct 3, 2024 · 2 comments · Fixed by #5706 or #5715
Closed

The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead) #5651

AnnaKosol opened this issue Oct 3, 2024 · 2 comments · Fixed by #5706 or #5715
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@mnmsvlw
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bug Priority: High regression Issue was found during regression
Milestone
Ketcher 2.26.0-rc.2

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@AnnaKosol
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AnnaKosol commented Oct 3, 2024 •
edited by AlexeyGirin
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Reproduced on 2.26
As per @AliaksandrDziarkach this is because Ketcher doesn't pass version to Indigo

Steps to Reproduce

  1. Add reaction to the Canvas
    The reaction can't save to MDL RXN V3000 .ket.zip
Screenshot 2024-10-03 at 14 18 59
  1. save to MDL RXN V3000

Actual behavior
file is saved as V2000
Screenshot 2024-10-03 at 14 21 29
RXNActualResult.zip

Expected behavior
file is saved as V3000
image
RXNExpectedResult.zip

Environment details:

  • Ketcher Version 2.25.0-rc.2 Build at 2024-09-30; 09:14:32
  • Indigo Version 1.25.0-dev.2.7-g6118db71-wasm32-wasm-clang-12.0.0
  • MacOs 15
  • Version 129.0.6668.71 (Official Build) (arm64)
@AlexeyGirin AlexeyGirin changed the title The reaction can't save to MDL RXN V3000 The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead) Oct 3, 2024
@AlexeyGirin AlexeyGirin added the regression Issue was found during regression label Oct 3, 2024
@AlexeyGirin AlexeyGirin transferred this issue from epam/Indigo Oct 7, 2024
@AlexeyGirin AlexeyGirin added this to the Ketcher 2.26.0-rc.2 milestone Oct 7, 2024
@ivanmaslow
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Please, pay attention, that we have the same problem for RDF V3000, it should be fixed as well:
image

Environment Details:

  • Ketcher [Version 2.26.0-rc.1] Build at 2024-10-04; 18:45:04
  • Version 1.25.0-rc.1.0-g704673fcb-wasm32-wasm-clang-19.0.0
  • Desktop, Windows 11 Enterprise
  • Chrome Version 129.0.6668.90 (Official Build) (64-bit)

@mnmsvlw mnmsvlw self-assigned this Oct 8, 2024
@NataliaLoginova NataliaLoginova removed their assignment Oct 8, 2024
mnmsvlw added a commit that referenced this issue Oct 9, 2024
@mnmsvlw
#5651 - Add support for MOL V3000, SDF V3000, MDL RXN V3000 on struct…
ab65809 
…ure save
@mnmsvlw mnmsvlw mentioned this issue Oct 9, 2024
Merged
9 tasks
@mnmsvlw mnmsvlw linked a pull request Oct 9, 2024 that will close this issue
Backmerge: #5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead) #5706
Merged
9 tasks
mnmsvlw added a commit that referenced this issue Oct 10, 2024
@mnmsvlw
#5651 - Add support for MOL V3000, SDF V3000, MDL RXN V3000 on struct…
cd7dddd 
…ure save
@mnmsvlw mnmsvlw mentioned this issue Oct 10, 2024
Merged
9 tasks
@mnmsvlw mnmsvlw linked a pull request Oct 10, 2024 that will close this issue
#5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 instead) #5715
Merged
9 tasks
NataliaLoginova pushed a commit that referenced this issue Oct 10, 2024
@mnmsvlw
#5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 i…
cb22a2f 
…nstead) (#5706)

* #5651 - Add support for MOL V3000, SDF V3000, MDL RXN V3000 on structure save

* Update tests
NataliaLoginova pushed a commit that referenced this issue Oct 10, 2024
@mnmsvlw
#5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 i…
d1e824c 
…nstead) (#5715)

* #5651 - Add support for MOL V3000, SDF V3000, MDL RXN V3000 on structure save

* Update tests
@ivanmaslow ivanmaslow mentioned this issue Oct 11, 2024
Closed
rrodionov91 pushed a commit that referenced this issue Oct 13, 2024
@mnmsvlw @rrodionov91
#5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 i…
dcb21b5 
…nstead) (#5706)

* #5651 - Add support for MOL V3000, SDF V3000, MDL RXN V3000 on structure save

* Update tests
@AlexeyGirin
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Verified.
image
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

Guch1g0v pushed a commit that referenced this issue Oct 17, 2024
@mnmsvlw @Guch1g0v
#5651 – The reaction can't save to MDL RXN V3000 (returns RXN V2000 i…
122182e 
…nstead) (#5706)

* #5651 - Add support for MOL V3000, SDF V3000, MDL RXN V3000 on structure save

* Update tests
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@mnmsvlw mnmsvlw

Labels
bug Priority: High regression Issue was found during regression
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Milestone
Ketcher 2.26.0-rc.2
5 participants
@NataliaLoginova @AlexeyGirin @mnmsvlw @ivanmaslow @AnnaKosol