Let user choose which toolkits are enabled/disabled for random_depiction() calls

[OBrink]

• Feature request by @Kohulan
• The title says it all

[tulay]

@OBrink I started a solution for this on my dev branch. The solution adds omegaconf as a new dependency. Feel free to check out the changes if you have any cycles. If you like its direction, I can do a PR after testing.

Here is how I use it:

from RanDepict import RandomDepictor, RandomDepictorConfig
from pathlib import Path

smiles = "CN1C=NC2=C1C(=O)N(C(=O)N2C)C"

cfg = RandomDepictorConfig(seed=24, styles=["cdk", "indigo"])
with RandomDepictor(config=cfg) as depictor:
    img1 = depictor(smiles)

"""
# omega_conf.yaml
RandomDepictorConfig:
   seed: 42
   augment: False
   styles:
       - cdk
"""

with RandomDepictor.from_config(config_file=Path('omega_conf.yaml')) as depictor:
   img2 = depictor(smiles)

[OBrink]

Hey @tulay,

Thank you for your contribution! I would be really happy if you did a PR once it's tested!

Otto

[tulay]

Hi @OBrink,
Sorry for the delay. I have added tests around the config. It is ready.

[OBrink]

Nice! Will you do a PR?