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Steps to reproduction Put anything at custom query for bond (e.g. '-' or '=') and try to convert it into SMARTS format
Expected behavior Structure should be converted without error
Actual behavior Error at response:
{ "error": "struct data not recognized as molecule, query, reaction or reaction query" }
Technical details Method: v2/indigo/convert
Payload options:
{ "smart-layout": true, "ignore-stereochemistry-errors": true, "mass-skip-error-on-pseudoatoms": false, "gross-formula-add-rsites": true, "aromatize-skip-superatoms": true, "dearomatize-on-load": false, "ignore-no-chiral-flag": false, "gross-formula-add-isotopes": true }
Payload struct: bond_custom_query_bug.zip
Indigo/Bingo version Version 1.15.0-dev.3.0-g530e55f33-x86_64-linux-gnu-11.2.1 Version 1.15.0-dev.4.0-g4bfe0976e-x86_64-linux-gnu-11.2.1
Additional context
The text was updated successfully, but these errors were encountered:
#1351 Error returned when try to convert structure with custom query… (
4369a05
#1353)
AliaksandrDziarkach
Successfully merging a pull request may close this issue.
Steps to reproduction
Put anything at custom query for bond (e.g. '-' or '=') and try to convert it into SMARTS format
Expected behavior
Structure should be converted without error
Actual behavior
Error at response:
Technical details
Method:
v2/indigo/convert
Payload options:
Payload struct:
bond_custom_query_bug.zip
Indigo/Bingo version
Version 1.15.0-dev.3.0-g530e55f33-x86_64-linux-gnu-11.2.1
Version 1.15.0-dev.4.0-g4bfe0976e-x86_64-linux-gnu-11.2.1
Additional context
The text was updated successfully, but these errors were encountered: