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Aromatization/Dearomatization wipes out SOME Ring bond count values #1476

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AlexeyGirin opened this issue Jan 3, 2024 · 2 comments · Fixed by #1566
Closed

Aromatization/Dearomatization wipes out SOME Ring bond count values #1476

AlexeyGirin opened this issue Jan 3, 2024 · 2 comments · Fixed by #1566
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@AliaksandrDziarkach
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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 3, 2024 •
edited

Environment details (please complete the following information):

2024-01-03_22h01_48.mp4

Describe the bug
Aromatization/Dearomatization wipes out SOME Ring bond count values

Steps to Reproduce
Steps to Reproduce

  1. Load molecule from file: RingBondCount.zip
  2. Press Aromatize button (Alt+A)

Actual behavior
rb5, rb6, rb7, rb8, rb9 values disappear
(Same behavior with dearomatization)

Expected behavior
All values remain in place
@AlexeyGirin AlexeyGirin added the Bug label Jan 3, 2024
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 3, 2024
@AlexeyGirin AlexeyGirin added this to Product Backlog in Indigo via automation Jan 3, 2024
@AlexeyGirin AlexeyGirin changed the title Aromatization wipes out SOME Ring bond count values Aromatization/Dearomatization wipes out SOME Ring bond count values Jan 4, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 5, 2024
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@AlexeyGirin
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Confirmed as bug

AliaksandrDziarkach added a commit that referenced this issue Jan 16, 2024
@AliaksandrDziarkach
#1476 Aromatization/Dearomatization wipes out SOME Ring bond count v…
f6d7cee 
…alues

Fix ket file loader/saver.
Fix molfile saver.
Add UT.
@AliaksandrDziarkach AliaksandrDziarkach moved this from Product Backlog to In progress in Indigo Jan 16, 2024
@AliaksandrDziarkach AliaksandrDziarkach self-assigned this Jan 16, 2024
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 16, 2024 that will close this issue
#1476 Aromatization/Dearomatization wipes out SOME Ring bond count values #1566
Merged
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
#1476 Aromatization/Dearomatization wipes out SOME Ring bond count v…
49c01cc 
…alues (#1566)
@AliaksandrDziarkach AliaksandrDziarkach moved this from In progress to Done in Indigo Jan 17, 2024
AliaksandrDziarkach added a commit that referenced this issue Jan 17, 2024
@AliaksandrDziarkach
Backmerge: #1476 Aromatization/Dearomatization wipes out SOME Ring bo…
06a5a06 
…nd count values

Backmerge by cherry pick
This was referenced Jan 18, 2024
Closed
Closed
AlexanderSavelyev pushed a commit that referenced this issue Jan 22, 2024
@AliaksandrDziarkach
Backmerge: #1476 Aromatization/Dearomatization wipes out SOME Ring bo…
669f8d9 
…nd count values (#1582)
@AlexeyGirin
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Fixed.
Version 1.18.0-rc.5.0-gb21ab5ad5-wasm32-wasm-clang-12.0.0
image

@AlexeyGirin AlexeyGirin removed this from Done in Indigo Feb 2, 2024
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@AliaksandrDziarkach AliaksandrDziarkach

Labels
Bug Priority: High query features phase II
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Indigo-1.18.0-rc.4
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#1476 Aromatization/Dearomatization wipes out SOME Ring bond count values epam/Indigo
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@AliaksandrDziarkach @vanoprenko @AlexeyGirin