Most of the molhandle endpoints accept all structure representations always as path_file objects.
This is not correct for structures represented by SMILES and InCHI keys as these are not file-like objects and do not pass validation criteria that identify files.
This is no problem for interactive use as long as it is clear from the documentation. For programmatic use (such as in workflow manager) this will not work.
Because the path_file object is used by more MDStudio microservices, this specific problem should be handled by lie_structures internally.
Most of the
molhandleendpoints accept all structure representations always as path_file objects. This is not correct for structures represented by SMILES and InCHI keys as these are not file-like objects and do not pass validation criteria that identify files.This is no problem for interactive use as long as it is clear from the documentation. For programmatic use (such as in workflow manager) this will not work.
Because the
path_fileobject is used by more MDStudio microservices, this specific problem should be handled by lie_structures internally.