epam / epam/Indigo

Wrong stereochemistry warnings in 'Save Structure' and 'Check Structure ' windows

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#392 0 comments 0 reactions 1 assignee Claimed by @mkviatkovskii View on GitHub
Dominant language
C++
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2d 11h
Merged PRs (30d)
24

Description

Affected version: Standalone

Steps to reproduce:
1. Execute /v2/indigo/check with the following parameters:
struct
[radium.zip](https://github.com/epam/Indigo/files/6278689/radium.zip)
options: {smart-layout: true, ignore-stereochemistry-errors: true, mass-skip-error-on-pseudoatoms: false,…}

Expected result: There are no stereochemistry warnings in both windows.
Actual result: A warning "Structure contains stereocenters defined by 3D coordinates,(0)" is shown in both windows.

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