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Add/Remove explicit hydrogens feature doesn't work for Aromatic Either bond ([#6]:[#6]) #1544

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AlexeyGirin opened this issue Jan 14, 2024 · 5 comments · Fixed by #1615
Closed

Add/Remove explicit hydrogens feature doesn't work for Aromatic Either bond ([#6]:[#6]) #1544

AlexeyGirin opened this issue Jan 14, 2024 · 5 comments · Fixed by #1615
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@AlexeyGirin
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Bug Priority: High query features phase II
Milestone
Indigo-1.18.0-rc.6

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@AlexeyGirin
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AlexeyGirin commented Jan 14, 2024 •
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Environment details (please complete the following information):

Describe the bug
Add/Remove explicit hydrogens feature doesn't work for Aromatic Either bond ([#6]:[#6])

Steps to Reproduce

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

Actual behavior
System throws exception:
IndigoException: element: can not calculate implicit hydrogens on aromatic C, charge 0, degree 1, 0 radical electrons
uat.test.lifescience.opensource.epam.com-1705264293466.log
image
image

Expected behavior
No exception
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 14, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 22, 2024
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@AlexeyGirin
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Should be fixed.
Decided to fix in Query Features - Phase II

@AlexeyGirin AlexeyGirin mentioned this issue Jan 25, 2024
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@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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Not fully fixed.
It doesn't throw exception but it doesn't add hydrogens as well (is should!)

Actual behavior:
image

Expected behavior:
image

@AlexeyGirin AlexeyGirin reopened this Jan 29, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Feb 2, 2024
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@AlexeyGirin
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MOved to RC7 as per @vanoprenko decision

@AliaksandrDziarkach
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Expected behavior
No exception

Exception issue fixed.
Please fill separate bugs for other issues.

@AlexeyGirin AlexeyGirin mentioned this issue Feb 6, 2024
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@AlexeyGirin
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MOved to #1667

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@AlexeyGirin AlexeyGirin

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Bug Priority: High query features phase II
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Indigo-1.18.0-rc.6
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@AliaksandrDziarkach @AlexeyGirin