Command like `wc -l`. Ex: `$ count_compounds.py chembl24_1.sdf.gz --gzip` or `$ count_compounds.py chembl24_1.sdf`

count_compounds.py

# command like `wc -l`

from rdkit.Chem.rdmolfiles import ForwardSDMolSupplier, SDMolSupplier
import sys
import gzip
argv = sys.argv[1:]
filename = argv[0]

if len(argv) > 1:
    option = argv[1]
else:
    option = []
    
if option == '--gzip':
    sppl = ForwardSDMolSupplier(gzip.open(filename, 'r'))
    count = 0
    for x in sppl:
        if x is not None: count += 1
    print(f'{filename} {count}')
else:
    sppl = SDMolSupplier(filename)
    count = len(sppl)
    print(f'{filename} {count}')