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Applying Enhanced Stereochemistry to monomers causes its disappear from the canvas (and exception in console) #4936

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AlexeyGirin opened this issue Jun 29, 2024 · 3 comments · Fixed by #5307
Closed

Applying Enhanced Stereochemistry to monomers causes its disappear from the canvas (and exception in console) #4936

AlexeyGirin opened this issue Jun 29, 2024 · 3 comments · Fixed by #5307
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@SashaGraves
Labels
bug Macro-Micro Bucket: Macro-Micro View related issues Micromolecules canvas Bucket: Micromolecules canvas related issues Priority: High
Milestone
Ketcher 2.27.0-rc.1

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@AlexeyGirin
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AlexeyGirin commented Jun 29, 2024 •
edited
Loading

Steps to Reproduce

  1. Go to Molecules mode
  2. Load from file: Two nucleotides.zip
    OR manually create the following configuration:
    image
  3. Press Stereochemistry button and press Apply button in appeared dialog

Actual behavior
image
image
ci.test.lifescience.opensource.epam.com-1719675261084.log

Expected behavior
No exception, No Stereochemistry applied
image
If only monomers on the canvas and no other stereo molecules - Stereochemistry button should disabled

Versions

  • Ketcher Version 2.22.0-rc.2 Build at 2024-06-28; 05:30:15
  • Indigo Toolkit Version 1.22.0-dev.2.1-gd5637f75-wasm32-wasm-clang-12.0.0
  • Windows 10 Pro
  • Chrome Version 126.0.6478.127 (Official Build) (64-bit)

Issue found while testing - #4382
@AlexeyGirin AlexeyGirin added bug Priority: High Macro-Micro Bucket: Macro-Micro View related issues Micromolecules canvas Bucket: Micromolecules canvas related issues labels Jun 29, 2024
@AlexeyGirin AlexeyGirin added this to the Ketcher 2.23.0-rc.1 milestone Jun 29, 2024
@beisenova-aliya beisenova-aliya self-assigned this Jul 10, 2024
beisenova-aliya added a commit that referenced this issue Jul 16, 2024
@beisenova-aliya
#4936-Disable stereochemistry button for monomers
3948e73
beisenova-aliya added a commit that referenced this issue Jul 16, 2024
@beisenova-aliya
#4936-Fixing tests for toolbar
314b93b
beisenova-aliya added a commit that referenced this issue Jul 16, 2024
@beisenova-aliya
#4936-Fixing tests
77d34a6
@beisenova-aliya beisenova-aliya mentioned this issue Jul 16, 2024
Merged
9 tasks
beisenova-aliya added a commit that referenced this issue Jul 18, 2024
@beisenova-aliya
#4936-Disable stereochemistry button for monomers
7009e2c
beisenova-aliya added a commit that referenced this issue Jul 18, 2024
@beisenova-aliya
#4936-Fixing tests for toolbar
c765e24
beisenova-aliya added a commit that referenced this issue Jul 18, 2024
@beisenova-aliya
#4936-Fixing tests
aa1236a
svvald pushed a commit that referenced this issue Jul 23, 2024
@beisenova-aliya
#4936 - Applying Enhanced Stereochemistry to monomers causes its disa…
e7c7320 
…ppear from the canvas (and exception in console) (#5112)

* #4936-Disable stereochemistry button for monomers

* #4936-Fixing tests for toolbar

* #4936-Fixing tests

* fix: update test's screenshots
@AlexeyGirin
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AlexeyGirin commented Aug 1, 2024 •
edited
Loading

Not fixed.
Currently - it simply disable Stereochemistry button if monomers present on the canvas
Load from file (unzip first): Two nucleotides with stereomolecule.zip

Expected behavior
If only macro structures on the canvas - should be disabled.
If micro structure with stereo on the canvas - it should be enabled and it should affect only on structures with stereo

image

Versions

  • Ketcher Version 2.23.0-rc.3 Build at 2024-07-31; 05:31:01
  • Indigo Toolkit Version 1.23.0-dev.2.1-gd93b8ec4-wasm32-wasm-clang-12.0.0
  • Windows 10 Pro
  • Chrome Version 127.0.6533.89 (Official Build) (64-bit)

@AlexeyGirin AlexeyGirin reopened this Aug 1, 2024
SashaGraves added a commit that referenced this issue Aug 16, 2024
@SashaGraves
Revert "#4936 - Applying Enhanced Stereochemistry to monomers causes …
2f31a8a 
…its disappear from the canvas (and exception in console) (#5112)"

This reverts commit e7c7320.
@SashaGraves SashaGraves mentioned this issue Aug 16, 2024
Merged
9 tasks
@SashaGraves SashaGraves linked a pull request Aug 16, 2024 that will close this issue
#4936 - Applying Enhanced Stereochemistry to monomers causes its disappear from the canvas (and exception in console) #5307
Merged
9 tasks
@SashaGraves
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SashaGraves commented Sep 3, 2024 •
edited
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Label does not change after changing stereometry, if molecule was placed at starting point of canvas.
Steps to reproduce:

  1. Reload page. Choose in upper menu 'Open...' => 'Open from file' => Choose file => press 'Add to Canvas'. DO NOT MOVE MOLECULE. Tap mouse button and let molecule be placed where it appeared initially.
  2. Change stereometry. Observe: label did not changed.

If you move molecule before placing to canvas, label changes successfully. Bug reproduces only for first placed molecule after page reload: if you place and delete molecule, and then place it again in the same place, label is changed successfully.

@rrodionov91 rrodionov91 removed this from the Ketcher 2.26.0-rc.1 (Current) milestone Sep 30, 2024
@rrodionov91 rrodionov91 added this to the Ketcher 2.27.0-rc.1 milestone Sep 30, 2024
NataliaLoginova pushed a commit that referenced this issue Oct 21, 2024
@SashaGraves
#4936 - Applying Enhanced Stereochemistry to monomers causes its disa…
6db4140 
…ppear from the canvas (and exception in console) (#5307)

* Revert "#4936 - Applying Enhanced Stereochemistry to monomers causes its disappear from the canvas (and exception in console) (#5112)"

This reverts commit e7c7320.

* do stereo only for atoms with stereo

* check is anything except monomers is present on canvas

* fix test

* fix label change
@Zhirnoff
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Zhirnoff commented Nov 7, 2024

Tested. Bug fixed.
2024-11-07_13h37_24

Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 128.0.6613.120 (Official Build) (64-bit)

Ketcher version
[Version 2.27.0-rc.1]
Indigo version
[Version 1.26.0-rc.1]

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@SashaGraves SashaGraves

Labels
bug Macro-Micro Bucket: Macro-Micro View related issues Micromolecules canvas Bucket: Micromolecules canvas related issues Priority: High
Projects
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Milestone
Ketcher 2.27.0-rc.1
6 participants
@NataliaLoginova @rrodionov91 @AlexeyGirin @SashaGraves @Zhirnoff @beisenova-aliya