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Add/Remove explicit hydrogens doesn't work for atom that have valence less than Radical value #1555

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AlexeyGirin opened this issue Jan 15, 2024 · 3 comments · Fixed by #1615
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Add/Remove explicit hydrogens doesn't work for atom that have valence less than Radical value #1555

AlexeyGirin opened this issue Jan 15, 2024 · 3 comments · Fixed by #1615
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@AlexeyGirin
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Priority: Medium query features phase II
Milestone
Indigo-1.18.0-rc.5

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@AlexeyGirin
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AlexeyGirin commented Jan 15, 2024 •
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Environment details (please complete the following information):

Describe the bug
Add/Remove explicit hydrogens doesn't work for atom that have valence less than Radical value

Steps to Reproduce

  1. Load from file: SimpleMoleculesRadical.zip (unzip first)
  2. Press Add/Remove explicit hydrogens button
    image

Actual behavior
System throws exception: IndigoException: element: bad valence on He having 0 drawn bonds, charge 0, and 1 radical electrons
image

Expected behavior
No exception
image
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 15, 2024
@AliaksandrDziarkach
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It is not a query-specific issue

@AlexeyGirin AlexeyGirin mentioned this issue Jan 22, 2024
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@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 22, 2024
@AlexeyGirin AlexeyGirin removed their assignment Jan 23, 2024
@AlexeyGirin
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Decided to fix in Query Features - Phase II

Should not throw exception

@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
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@AlexeyGirin
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Fixed.
Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0
image

@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
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@AlexeyGirin AlexeyGirin

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