Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

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

Closed
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
Assignees
@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

Comments

@AlexeyGirin
Copy link
Collaborator

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
Copy link
Collaborator Author

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
Copy link
Collaborator

SashaGraves commented Sep 3, 2024 •
edited
Loading

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
Copy link
Collaborator

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]

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@SashaGraves SashaGraves

Labels
bug Macro-Micro Bucket: Macro-Micro View related issues Micromolecules canvas Bucket: Micromolecules canvas related issues Priority: High
Projects
None yet
Milestone
Ketcher 2.27.0-rc.1
6 participants
@NataliaLoginova @rrodionov91 @AlexeyGirin @SashaGraves @Zhirnoff @beisenova-aliya