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Atom Query feature export: System lost "Ring bond count" if value greater that 4 - export to RXN V2000 #1488

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AlexeyGirin opened this issue Jan 9, 2024 · 3 comments
Closed

Atom Query feature export: System lost "Ring bond count" if value greater that 4 - export to RXN V2000 #1488

AlexeyGirin opened this issue Jan 9, 2024 · 3 comments
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@AlexeyGirin
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Bug Priority: High query features phase II
Projects
Indigo
Milestone
Indigo-1.18.0-rc.4

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

Describe the bug
System lost "Ring bond count" if value greater that 4

Steps to Reproduce

  1. Open from file: Ring bond count.zip
  2. Save it to RXN2000 file format
  3. Clear canvas
  4. Load from RXN2000 file format

Actual behavior
System losts some Atom Query features
image

Expected behavior
System doesn't lost Atom Query features
image
@AlexeyGirin AlexeyGirin added this to the Query Features - Phase II milestone Jan 9, 2024
@AlexeyGirin AlexeyGirin added this to Product Backlog in Indigo via automation Jan 9, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jan 10, 2024
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@AlexeyGirin AlexeyGirin mentioned this issue Jan 15, 2024
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@AliaksandrDziarkach
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AliaksandrDziarkach commented Jan 18, 2024 •
edited

Molfile (SDF/RXN) does not support "Ring bon count" values greater than 4.

@AliaksandrDziarkach AliaksandrDziarkach closed this as not planned Won't fix, can't repro, duplicate, stale Jan 18, 2024
Indigo automation moved this from Product Backlog to Done Jan 18, 2024
@AliaksandrDziarkach AliaksandrDziarkach mentioned this issue Jan 18, 2024
Closed
Indigo automation moved this from Done to Product Backlog Jan 18, 2024
@AlexeyGirin AlexeyGirin changed the title Atom Query feature export: System lost "Ring bond count" if value greater that 4 Atom Query feature export: System lost "Ring bond count" if value greater that 4 - export to RXN V2000 Jan 20, 2024
@AliaksandrDziarkach
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Fixed in indigo-1.18.0-rc.4

@AlexeyGirin AlexeyGirin moved this from Product Backlog to In Testing in Indigo Jan 24, 2024
@AlexeyGirin
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image
Not a bug

Indigo automation moved this from In Testing to Done Jan 29, 2024
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@AlexeyGirin AlexeyGirin

Labels
Bug Priority: High query features phase II
Projects
Indigo
  
Done
Milestone
Indigo-1.18.0-rc.4
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3 participants
@AliaksandrDziarkach @vanoprenko @AlexeyGirin