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System attach two explicit hydrogens to atoms connected to "any type" bonds #1533

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AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1612 or #1708
Closed

System attach two explicit hydrogens to atoms connected to "any type" bonds #1533

AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1612 or #1708
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@AlexeyGirin
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Bug 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
System attach two explicit hydrogens to atoms connected to "any type" bonds

Steps to Reproduce

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

Actual behavior
image
System attach two hydrogens to atoms connected to "any type" bonds

Expected behavior
No connection happens
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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As per @AlexanderSavelyev
Any uncertain bond - should not be added by hydrogens

Fix in Query Features - Phase II

AliaksandrDziarkach added a commit that referenced this issue Jan 25, 2024
@AliaksandrDziarkach
#1533 System attach two explicit hydrogens to atoms connected to "an…
7b5aadf 
…y type" bonds

Fix code. Add UT
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 25, 2024 that will close this issue
#1533 System attach two explicit hydrogens to atoms connected to "any type" bonds #1612
Merged
AliaksandrDziarkach added a commit that referenced this issue Jan 25, 2024
@AliaksandrDziarkach
#1533 System attach two explicit hydrogens to atoms connected to "an…
b058c73 
…y type" bonds

Fix UTs
AliaksandrDziarkach added a commit that referenced this issue Jan 25, 2024
@AliaksandrDziarkach
#1533 System attach two explicit hydrogens to atoms connected to "an…
15e8837 
…y type" bonds

Fix UT
AliaksandrDziarkach added a commit that referenced this issue Jan 26, 2024
@AliaksandrDziarkach
#1533 System attach two explicit hydrogens to atoms connected to "an…
9ff5f7d 
…y type" bonds (#1612)
@AlexeyGirin
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AlexeyGirin commented Jan 29, 2024 •
edited
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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
Backmegre: #1533 System attach two explicit hydrogens to atoms connec…
383390d 
…ted to "any type" bonds (#1612)
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Feb 15, 2024 that will close this issue
Backmegre: #1533 System attach two explicit hydrogens to atoms connected to "any type" bonds (#1612) #1708
Merged
4 tasks
AlexanderSavelyev pushed a commit that referenced this issue Feb 16, 2024
@AliaksandrDziarkach
Backmegre: #1533 System attach two explicit hydrogens to atoms connec…
3bd1ae6 
…ted to "any type" bonds (#1612) (#1708)
@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
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@AlexeyGirin AlexeyGirin

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