v3.1.0 nonoptimal solutions
Now, along with multiple solutions, nonoptimal solutions could be obtained if desired. Example:
from ugropy import unifac
toluene = unifac.get_groups("toluene", search_multiple_solutions=True, search_nonoptimal=True)
print(toluene[0].subgroups)
print(toluene[1].subgroups)
You will obtain:
{'ACH': 5, 'ACCH3': 1}
{'CH3': 1, 'ACH': 5, 'AC': 1}
The solutions are always ordered from most optimal to less optimal.
What's Changed
- Nonoptimal by @SalvadorBrandolin in #35
Full Changelog: v3.0.5...v3.1.0