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System attach two explicit hydrogens to aromatized ring #1525

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AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1577
Closed

System attach two explicit hydrogens to aromatized ring #1525

AlexeyGirin opened this issue Jan 13, 2024 · 2 comments · Fixed by #1577
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Bug Priority: High query features phase II
Milestone
Indigo-1.18.0-rc.4

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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 aromatized ring and layout is wrong by default

Steps to Reproduce

  1. Load from file: Add explicit hydrogens works not good.zip (unzip first)
  2. Press Add/Remove explicit hydrogens button

Actual behavior
image
System attach two hydrogens and layout is not good

Expected behavior
Add explicit hydrogens works fine
image
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 13, 2024
@AliaksandrDziarkach AliaksandrDziarkach changed the title System attach two explicit hydrogens to aromatized ring and layout is wrong by default System attach two explicit hydrogens to aromatized ring Jan 17, 2024
@AliaksandrDziarkach
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AliaksandrDziarkach commented Jan 17, 2024 •
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Please add separate bug for layout if it still reproduced after fix of hydrogen count

AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring
7032da4 
Fix connection calculation for aromatic bonds. Add UT
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 17, 2024 that will close this issue
#1525 System attach two explicit hydrogens to aromatized ring #1577
Merged
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring
da3c7c4 
Update UT to show correct diff
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring
aa620b9 
Fix EOL from CRLF to LF in UT data file
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1525 System attach two explicit hydrogens to aromatized ring (#1577)
b374a45
@AlexeyGirin AlexeyGirin mentioned this issue Jan 22, 2024
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@AlexeyGirin
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AlexeyGirin commented Jan 29, 2024 •
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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 Jan 31, 2024
@AliaksandrDziarkach
Backmerge: #1525 System attach two explicit hydrogens to aromatized ring
4b4372d 
Backmerge by cherry-pick
AliaksandrDziarkach added a commit that referenced this issue Jan 31, 2024
@AliaksandrDziarkach
Backmerge: #1525 System attach two explicit hydrogens to aromatized r…
3db0c91 
…ing (#1645)
@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
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Labels
Bug Priority: High query features phase II
Projects
Indigo
Status: Done
Milestone
Indigo-1.18.0-rc.4
Development

Successfully merging a pull request may close this issue.

#1525 System attach two explicit hydrogens to aromatized ring epam/Indigo
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@AliaksandrDziarkach @AlexeyGirin