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On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF #5814

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ivanmaslow opened this issue Oct 18, 2024 · 1 comment · Fixed by #5908, #5911 or #5924
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On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF #5814

ivanmaslow opened this issue Oct 18, 2024 · 1 comment · Fixed by #5908, #5911 or #5924
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@rrodionov91
Labels
bug Priority: High
Milestone
Ketcher 2.26.0-rc.8

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@ivanmaslow
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Steps to Reproduce

  1. Add reaction to Canvas with elements and arrow to reproduce for RXN/RDF (for MOL/SDF - just add a molecule without arrow)
  2. Click on Save as...
  3. Select MDL Rxnfile V3000/RDF V3000 (MDL Molfile V3000/SDF V3000)

Actual behavior

  • V2000 format is on preview, v3000 flag isn't in the payload of convert in console:
    image

Expected behavior

  • V3000 format is on preview, v3000 flag is in the payload of convert in console (screenshot is made on Prod Remote Env 2.25.0):
    image

Environment Details

  • Remote env
  • Ketcher [Version 2.26.0-rc.3] Build at 2024-10-16; 14:42:10
  • Indigo Version 1.25.0-rc.2.0-g867ae250b-x86_64-linux-gnu-11.2.1
  • Desktop, Windows 11 Enterprise
  • Chrome Version 130.0.6723.59 (Official Build) (64-bit)

Additional context
@ivanmaslow ivanmaslow added this to the Ketcher 2.26.0-rc.4 milestone Oct 18, 2024
@ivanmaslow ivanmaslow mentioned this issue Oct 25, 2024
Closed
@rrodionov91 rrodionov91 self-assigned this Nov 4, 2024
@rrodionov91 rrodionov91 moved this to In progress in Ketcher Nov 4, 2024
rrodionov91 added a commit that referenced this issue Nov 4, 2024
@rrodionov91
#5814 - On Remote environment, the reaction/molecule can't be saved t…
858fdfd 
…o V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF
@rrodionov91 rrodionov91 moved this from In progress to Code review in Ketcher Nov 4, 2024
@rrodionov91 rrodionov91 linked a pull request Nov 4, 2024 that will close this issue
#5814 - On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF #5908
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Nov 4, 2024
@rrodionov91
#5814 - On Remote environment, the reaction/molecule can't be saved t…
094ca54 
…o V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF (#5908)
rrodionov91 added a commit that referenced this issue Nov 4, 2024
@rrodionov91
#5814 - On Remote environment, the reaction/molecule can't be saved t…
5b00280 
…o V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF (#5908)
@rrodionov91 rrodionov91 linked a pull request Nov 4, 2024 that will close this issue
Backmerge: #5814 - On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF #5911
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Nov 6, 2024
@rrodionov91
#5814 - On Remote environment, the reaction/molecule can't be saved t…
5fe4ef3 
…o V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF (#5908) (#5911)
@github-project-automation github-project-automation bot moved this from Code review to Ready for testing in Ketcher Nov 6, 2024
rrodionov91 added a commit that referenced this issue Nov 6, 2024
@rrodionov91
#5814 - On Remote environment, the reaction/molecule can't be saved t…
3f092db 
…o V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF (#5908) (#5911)

(cherry picked from commit 5fe4ef3)
@rrodionov91 rrodionov91 linked a pull request Nov 6, 2024 that will close this issue
Backmerge: #5814 - On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF #5924
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Nov 6, 2024
@rrodionov91
#5814 - On Remote environment, the reaction/molecule can't be saved t…
b12cdd8 
…o V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF (#5908) (#5911) (#5924)

(cherry picked from commit 5fe4ef3)
@ivanmaslow
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The fix is successfully verified on uat remote env:

  • Ketcher [Version 2.26.0-rc.8] Build at 2024-11-07; 12:00:43
  • Indigo Version 1.25.0-rc.2.0-g867ae250b-x86_64-linux-gnu-11.2.1
  • Desktop, Windows 11 Enterprise
  • Chrome Version 130.0.6723.116 (Official Build) (64-bit)

Molecules can be saved to V2000/V3000 formats - SDF, MOL:
image
image
image
image

Molecules can be saved to V2000/V3000 formats - RDF, RXN:
image
image
image
image

@ivanmaslow ivanmaslow moved this from Ready for testing to Done in Ketcher Nov 7, 2024
knadonenko pushed a commit that referenced this issue Nov 12, 2024
@knadonenkoepam
Squashed commit of the following:
36e77ab 
commit 0bb3715
Author: Drimodaren <95479023+Drimodaren@users.noreply.github.com>
Date:   Tue Nov 12 12:08:05 2024 +0400

    #5842-info-button-i-for-some-properties-at-settings (#5912)

    * 5842-info-button-i-for-some-properties-at-settings

    * updated tests

    * change layout and update snapshot

    * updated test

    * updated tests

    * merge

    * add tooltip for after, updated tests

    * changes part 2

    * tests update

    * update tests

    * update tests

    * Revert specific files to previous state

    * Revert specific files to previous state

    * Revert specific files to previous state

    * format

    ---------

    Co-authored-by: Andrey Menshikov <andrey.menshikov@bostongene.com>

commit 168e713
Author: Alexey Girin <agirin@mail.ru>
Date:   Mon Nov 11 16:29:38 2024 +0300

    Autotests: #5832 - autotests expand macromolecules in micro mode 2 (#5913)

    * First banch

    * For Roman

    * For roman 2

    * - added clickOnAtomById helper

    * Zoom coordinates recalculation added

    * Verify that deleting an expanded monomer in a chain structure using the Erase tool cause Edit Abbreviations dialog to appear

    * fix

    * Verify that after using the Erase tool to delete an expanded monomer in both chain and ring structures, the Undo and Redo functionality works correctly, restoring or re-removing the expanded monomer and its bonds

    * Move collapsed monomer on Micro and Undo

    * Move expanded monomer on Micro and Undo

    * Verify switching back from micro mode to macro mode with expanded and collapsed monomers

    * Small fix

    * first draft

    * Verify saving collapsed monomers in Daylight SMARTS

    * Saving collapsed monomer to SMARTS

    * Last fix

    * last fix

    * lf 2

    * lf3

    * Micro molecules fix

    * lf4

    * Verify that expanding multiple monomers works in a left-to-right order within a chain fix

    * Verify that expanding multiple monomers works in a top-to-bottom order within a chain fix

    * Verify that expanding monomers with big mircomolecule ring structures in the middle behaves correctly without breaking the chain fix

    * Verify that deleting an expanded monomer in a chain structure using the Erase tool cause Edit Abbreviations dialog to appear fix

    * last fix

    * lf2

    * Move collapsed monomer on Micro and Undo fix

    * Last fix

    * last last fix

    * One more try

    * One more fix

    * macro-micro-switcher.spec.ts:3232 update

    * macro-micro-switcher.spec.ts:3093 update

    * all the rest

    * final

    * Horizontal split

    * one more fix

    * On more try

    * one more try

    * and one more

    * 260

    * last one

    * lf 2

    ---------

    Co-authored-by: Roman Rodionov <roman_rodionov@epam.com>

commit 94e560b
Author: Vladimir Nebolsin <107650674+mnmsvlw@users.noreply.github.com>
Date:   Fri Nov 8 03:56:30 2024 +0400

    #5351 – Inform User to Apply Layout after Settings Adjustment (#5921)

    * #5351 - inform user to apply layout after settings adjustment

    * Update reaction component margin size related tests

commit eb21a9d
Author: GlisicMirjana <133213397+GlisicMirjana@users.noreply.github.com>
Date:   Wed Nov 6 23:06:53 2024 +0100

    #5270 - Warning should not displayed for importing CDXML, base64 CDX, CDX formats (#5928)

commit 5a281ac
Author: Roman Rodionov <roman_rodionov@epam.com>
Date:   Wed Nov 6 16:26:42 2024 +0100

    Backmerge: #5886 - Loading a KET file in macro mode, bond connections are preserved but microstructures are shifted (#5919)

    - added repositioning for all entities during paste/open structures
    - updated screenshots

commit 5fe4ef3
Author: Roman Rodionov <roman_rodionov@epam.com>
Date:   Wed Nov 6 13:08:20 2024 +0100

    #5814 - On Remote environment, the reaction/molecule can't be saved to V3000 formats (returns V2000 instead): MOL, RXN, SDF, RDF (#5908) (#5911)

commit 9a1e91e
Author: ivanmaslow <165396466+ivanmaslow@users.noreply.github.com>
Date:   Wed Nov 6 14:54:14 2024 +0300

    #5915: Added two files, two tests, updated description (#5917)

commit 3a57f09
Author: aproskurnov <proskurn@gmail.com>
Date:   Wed Nov 6 11:39:28 2024 +0100

    Backmerge - #5833 Applied functional group drawing settings (#5883)

    * * applied functional group drawing settings

    * added micromolecules tests

    * added macromolecules tests

    * fixed bunch of micromol tests

    * fixed bunch of macromol tests

    * fixed micromolecule tests

    * fixed macro tests

    * fixed macromolecule tests

    * fixed micromolecule tests

    * fixed imports

    * fixed macro test

    * fixed micro tests

commit 7851c09
Author: Roman Rodionov <roman_rodionov@epam.com>
Date:   Wed Nov 6 10:54:25 2024 +0100

    #5873 - Export to ket (and getKET function) change incrementally internal IDs every call (#5916)

    - fixed monomer ids generation for serialization
    - updated test-data

commit eb5738f
Author: Nikita Chistousov <nikita_chistousov@epam.com>
Date:   Tue Nov 5 15:00:12 2024 +0100

    #5898 – Update indigo to 1.26.0-rc.1 in browser module (#5905)

    – updated indigo to 1.26.0-rc.1 in browser module
    - removed test which doesn't work

    ---------

    Co-authored-by: Roman Rodionov <roman_rodionov@epam.com>

commit a691731
Author: Nikita Chistousov <nikita_chistousov@epam.com>
Date:   Mon Nov 4 12:28:53 2024 +0100

    Backmerge: #5809 – Open correct context menu for expanded monomer while clicking on bond or atom (#5901)
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Assignees

@rrodionov91 rrodionov91

Labels
bug Priority: High
Projects
Ketcher
Status: Done
Milestone
Ketcher 2.26.0-rc.8
5 participants
@svvald @NataliaLoginova @rrodionov91 @AlexeyGirin @ivanmaslow