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"500 Internal Server Error" in /indigo/descriptors

Open digitalroll opened this issue 2 years ago • 1 comments

Steps to Reproduce Make request to /indigo/descriptors with the parameters "acidPkaValue" and/or "basicPkaValue"

{
  "data": {
    "type": "descriptor",
    "attributes": {
      "compound": {
        "structure": "CCC",
        "format": "auto"
      },
      "descriptors": [
        "acidPkaValue",
        "basicPkaValue"
      ]
    }
  }
}

Expected behavior Correct processing of the request and return of the error description

Actual behavior Error: 500 Internal Server Error

Indigo/Bingo version
1.6.1.0-g5dbb0c0f4-x86_64-linux-gnu-10.2.1

Additional context The error can be reproduced even in /docs

digitalroll avatar Apr 15 '22 12:04 digitalroll

Hi @digitalroll

Regarding docs acidPkaValue and basicPkaValue are required different request and response models, so this is not fast fix.

We need make response for every atom, not for the whole molecule, so, seems that this descriptors will be moved to the new endpoint, for example /indigo/pka/descriptors or something like that.

Thank you for bringing us this bug, as soon we fix it, will notify you

khyurri avatar Apr 29 '22 07:04 khyurri