import frowns.Fingerprint
from frowns import Smiles
patterns_and_targets = (
("CCN",
("CCN", "CCNCC", "c1cccc1CCN")),
)
for pattern, targets in patterns_and_targets:
pattern_molecule = Smiles.smilin(pattern)
pfp = frowns.Fingerprint.generateFingerprint(pattern_molecule)
for target in targets:
mol = Smiles.smilin(target)
molfp = \
frowns.Fingerprint.generateFingerprint(mol)
# pfp must be "in" molfp for test to pass
assert pfp in molfp, "match %s is not in target %s!"%(pattern, target)
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