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Indigo Service: enable of using Indigo Options #1083

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AATDev21 opened this issue Mar 27, 2023 · 0 comments · Fixed by #1089
Closed

Indigo Service: enable of using Indigo Options #1083

AATDev21 opened this issue Mar 27, 2023 · 0 comments · Fixed by #1089

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@AATDev21
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Steps to Reproduce

  1. Use Indige Service from epmlsop/indigo-service:enhanced-1.10.0
  2. Call /indigo/descriptors with the following request:
{
  "data": {
    "type": "descriptor",
    "attributes": {
      "compound": {
        "structure": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3",
        "format": "auto"
      },
      "options": {
        "gross-formula-add-isotopes": 1
      },
      "descriptors": [
        "grossFormula"
      ]
    }
  }
}

Expected behavior
A gross formula of the compound with correct representation of isotopes ('D' as deuterium in this case)

Actual behavior
Option "gross-formula-add-isotopes" had no effect on the response body:

{
  "data": {
    "type": "descriptorResult",
    "attributes": {
      "grossFormula": "C2 H6 O S"
    }
  }
}
@AATDev21 AATDev21 self-assigned this Mar 27, 2023
AATDev21 added a commit that referenced this issue Mar 30, 2023
@AATDev21 AATDev21 linked a pull request Mar 31, 2023 that will close this issue
AlexanderSavelyev pushed a commit that referenced this issue Apr 1, 2023
* #1083: indigo-service: added indigo options support

* #1083: indigo-service: linters fixes

* #1083: indigo-service: removed prints
@AlexanderSavelyev AlexanderSavelyev added this to the Indigo-1.11.0-rc.1 milestone Apr 1, 2023
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3 participants