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Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens) #1538

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AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1615 or #1710
Closed

Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens) #1538

AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1615 or #1710
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@AlexeyGirin
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Priority: High query features phase II
Milestone
Indigo-1.18.0-rc.5

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@AlexeyGirin
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AlexeyGirin commented Jan 13, 2024 •
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Environment details (please complete the following information):

Describe the bug
Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens)

Steps to Reproduce

  1. Load from file: BadValenceAtomCausesCrash.zip (unzup first)
  2. Press Add/Remove explicit hydrogens button

Actual behavior
System throws exception
IndigoException: element: bad valence on C having 5 drawn bonds, charge 0, and 0 radical electrons
uat.test.lifescience.opensource.epam.com-1705183134610.log

Expected behavior
Add/Remove explicit hydrogens feature works as intended
image
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 13, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 22, 2024
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@AlexeyGirin
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AlexeyGirin commented Jan 22, 2024 •
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Decided to fix in Query Features - Phase II

Should not throw exception

AliaksandrDziarkach added a commit that referenced this issue Jan 25, 2024
@AliaksandrDziarkach
#1538 Add/Remove explicit hydrogens feature doesn't work if atom wit…
e22a56b 
…h problem valence present on canvas (crash happens)

Fix code. Add UT
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 25, 2024 that will close this issue
#1538 Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens) #1615
Merged
AliaksandrDziarkach added a commit that referenced this issue Jan 26, 2024
@AliaksandrDziarkach
#1538 Add/Remove explicit hydrogens feature doesn't work if atom wit…
c7acf6b 
…h problem valence present on canvas (crash happens) (#1615)
@AlexeyGirin
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Fixed.
Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0
image

AliaksandrDziarkach added a commit that referenced this issue Feb 15, 2024
@AliaksandrDziarkach
Backmerge: #1538 Add/Remove explicit hydrogens feature doesn't work i…
a2c812b 
…f atom with problem valence present on canvas (crash happens) (#1615)
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Feb 15, 2024 that will close this issue
Backmerge: #1538 Add/Remove explicit hydrogens feature doesn't work if atom with problem valence present on canvas (crash happens) (#1615) #1710
Merged
4 tasks
AlexanderSavelyev pushed a commit that referenced this issue Feb 16, 2024
@AliaksandrDziarkach
Backmerge: #1538 Add/Remove explicit hydrogens feature doesn't work i…
d897713 
…f atom with problem valence present on canvas (crash happens) (#1615) (#1710)
@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
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@AlexeyGirin AlexeyGirin

Labels
Priority: High query features phase II
Projects
Indigo
Status: Done
Milestone
Indigo-1.18.0-rc.5
2 participants
@AliaksandrDziarkach @AlexeyGirin