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Warnings in the Structure Check window doesn't display for molecules with R-Groups #731

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ZhannaNovikova opened this issue May 17, 2022 · 0 comments · Fixed by #1177
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@ZhannaNovikova
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ZhannaNovikova commented May 17, 2022

Steps to Reproduce

  1. Execute the /v2/indigo/check with the following parameters:
    struct:
    Radical.zip
    options: {
    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
    },

  2. Check the warning

  3. Execute the /v2/indigo/check with the following parameters:
    struct:
    Pseudoatom.zip
    options: {
    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
    },

  4. Check the warning

  5. Execute the /v2/indigo/check with the following parameters:
    struct:
    Stereochemistry.zip

options: {
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
},
6. Check the warning

  1. Execute the /v2/indigo/check with the following parameters:
    struct:
    3D Structure.zip
    options: {
    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
    },

  2. Check the warning

  3. Execute the /v2/indigo/check with the following parameters:
    struct:
    Chirality.zip

options: {
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
},
10. Check the warning

  1. Execute the /v2/indigo/check with the following parameters:
    struct:
    Overlapping Atoms.zip

options: {
romatize-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
},
10. Check the warning

Expected behavior:
All types of warnings to be checked are sent in request
Errors are shown as gotten from indigo

Actual behavior:
The Structure Check window doesn't display the warnings according to a list of values are added to the R-Groups

Version 1.6.1.10-gd1a8a571b-x86_64-linux-gnu-10.2.1

@even1024 even1024 added this to To do in Indigo via automation May 18, 2022
@even1024 even1024 added this to the indigo-1.7 milestone May 18, 2022
@AlexanderSavelyev AlexanderSavelyev modified the milestones: indigo-1.7.0, indigo-1.7.1 May 23, 2022
@even1024 even1024 modified the milestones: indigo-1.7.1, Indigo-1.7.2 May 26, 2022
@even1024 even1024 moved this from To do to In progress in Indigo May 26, 2022
@even1024 even1024 moved this from In progress to To do in Indigo Jul 7, 2022
@AlexanderSavelyev AlexanderSavelyev linked a pull request Jul 18, 2023 that will close this issue
Indigo automation moved this from Product Backlog to Done Jul 19, 2023
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