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An error message is displayed when server functions are applied to an R-group member with invalid stereocenters. #708

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Svetlana-Asinovskaia opened this issue Apr 14, 2022 · 0 comments
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@Svetlana-Asinovskaia
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Svetlana-Asinovskaia commented Apr 14, 2022

Steps to Reproduce

  1. Call /v2/indigo/check

options:
{smart-layout: true, ignore-stereochemistry-errors: true, mass-skip-error-on-pseudoatoms: false,…}
aromatize-skip-superatoms: true
gross-formula-add-isotopes: true
gross-formula-add-rsites: true
ignore-stereochemistry-errors: true
mass-skip-error-on-pseudoatoms: false
smart-layout: true

struct:
ketcher (85).zip

Expected behavior
Response like {"stereo":"Structure contains incorrect stereochemistry: (0)","chiral":"Structure contains chirality"} is received.

Actual behavior
The following error message is displayed: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'RXN loader: bad header {', 'RXN loader: bad header {', 'molecule json loader: stereo type specified for atom #4, but the bond directions does not say that it is a stereocenter', 'molecule json loader: stereo type specified for atom #4, but the bond directions does not say that it is a stereocenter'

Indigo version:
1.6.1.10-gd1a8a571b-x86_64-linux-gnu-10.2.1

Additional:
Reproducible in Standalone mode with all server functions.

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