utils

tmos.utils

Description

General utilities

Functions

first_traceback	Isolate the first error in the traceback that caused the issue.
get_molecular_formula	Get molecular formula with elements sorted in alphabetical order.
molecular_formula_to_dict	Get molecular formula dictionary with elements sorted in alphabetical order.
save_to_json	Save result dictionary to a json file, with RDKit Molecules removed
view3D	Format 3D view of an RDKit molecule.