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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
},
Check the warning
Execute the /v2/indigo/check with the following parameters:
struct: Chirality.zip
Steps to Reproduce
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
},
Check the warning
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
},
Check the warning
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
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
},
Check the warning
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
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
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