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Adding hydrogens doesn't work for bonds with Not center value of Reacting Center #1614

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AlexeyGirin opened this issue Jan 25, 2024 · 1 comment · Fixed by #1616 or #1714
Closed

Adding hydrogens doesn't work for bonds with Not center value of Reacting Center #1614

AlexeyGirin opened this issue Jan 25, 2024 · 1 comment · Fixed by #1616 or #1714
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@AlexeyGirin
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Priority: High query features phase II
Milestone
Indigo-1.18.0-rc.5

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@AlexeyGirin
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Environment details (please complete the following information):

Describe the bug
Adding hydrogens doesn't work for bonds with No center value of Reacting Center
image

Steps to Reproduce

  1. Load from file: All types of bond - Chain topology - Not center reaction center.zip (unzip first)
  2. Press Add/Remove explicit hydrogens button

Actual behavior
System throws exception: Error: Cannot deserialize input JSON.
image

Expected behavior
No exception happen
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 25, 2024
AliaksandrDziarkach added a commit that referenced this issue Jan 25, 2024
@AliaksandrDziarkach
#1614 Adding hydrogens doesn't work for bonds with No center value o…
ca15d02 
…f Reacting Center

Fix code add UT.
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Jan 25, 2024 that will close this issue
#1614 Adding hydrogens doesn't work for bonds with No center value of Reacting Center #1616
Merged
@AlexeyGirin AlexeyGirin changed the title Adding hydrogens doesn't work for bonds with No center value of Reacting Center Adding hydrogens doesn't work for bonds with Not center value of Reacting Center Jan 26, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 26, 2024
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43 tasks
AlexanderSavelyev pushed a commit that referenced this issue Jan 26, 2024
@AliaksandrDziarkach
#1614 Adding hydrogens doesn't work for bonds with No center value o…
3d8beab 
…f Reacting Center (#1616)
@AlexeyGirin
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Fixed.
Version 1.18.0-rc.5.0-gb21ab5ad5-x86_64-linux-gnu-11.2.1
image

AliaksandrDziarkach added a commit that referenced this issue Feb 16, 2024
@AliaksandrDziarkach
Backmerge: #1614 Adding hydrogens doesn't work for bonds with No cent…
7e4391a 
…er value of Reacting Center (#1616)
@AliaksandrDziarkach AliaksandrDziarkach linked a pull request Feb 16, 2024 that will close this issue
Backmerge: #1614 Adding hydrogens doesn't work for bonds with No center value of Reacting Center (#1616) #1714
Merged
4 tasks
AlexanderSavelyev pushed a commit that referenced this issue Feb 16, 2024
@AliaksandrDziarkach
Backmerge: #1614 Adding hydrogens doesn't work for bonds with No cent…
b16bb97 
…er value of Reacting Center (#1616) (#1714)
@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
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@AlexeyGirin AlexeyGirin

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