SMILES String Viewer Saver

SMILES_Viewer.py

#!/usr/bin/env python3
import sys
import tempfile
from pathlib import Path
from PIL import Image
from rdkit import Chem
from rdkit.Chem import Draw
# pip install rdkit pillow

def show_smiles( smiles_string ):
	with tempfile.TemporaryDirectory() as temp_dir:
		temp_dir_posix = Path( temp_dir )
		with tempfile.NamedTemporaryFile( suffix=".png" , prefix=temp_dir ) as tf:
			temp_file_path = temp_dir_posix.joinpath( tf.name )
			print( temp_file_path )
			s_fp = str( temp_file_path )
			molecule = Chem.MolFromSmiles( smiles_string )
			Draw.MolToFile( molecule , s_fp , size=( 1000 , 1000 ) )
			img = Image.open( s_fp )
			img.show()

def save_smiles( smiles_string , file_path ):
	molecule = Chem.MolFromSmiles( smiles_string )
	Draw.MolToFile( molecule , file_path , size=( 1000 , 1000 ) )

if __name__ == "__main__":
	show_smiles( sys.argv[ 1 ] )