Describe the bug
when doing view.view(struct, view_2d=True an exception is raised because struct.to_smiles() has been
removed.
- Consider replacing
.to_smiles() and .from_smiles() as convenience methods. Or swap fully to the qcinf functional interface.
Describe the bug
when doing
view.view(struct, view_2d=Truean exception is raised becausestruct.to_smiles()has beenremoved.
.to_smiles()and.from_smiles()as convenience methods. Or swap fully to theqcinffunctional interface.