Indigo
Indigo copied to clipboard
Some query bonds are replaced with Single bond after converting Mol into SMILES-format
Steps to reproduce:
- Create Mol file that contains the following types of bonds: 5, 6, 7, 8 (or use mol_example.zip)
- Convert created Mol file into Extended SMILES by calling /v2/indigo/convert.
- Convert generated SMILES file into Mol format by calling /v2/indigo/layout
- Compare original and generated Mol files.
Expected result:
Bond types from original model are equal to bond types from generated model.
Actual result:
Bond types 5, 6, 7, 8 in resulted model are replaced by 1.
Link to original issue