def test_ngram_3(data):
ngram = NGram(sample_order=5)
ngram.fit(data['pg'][0][:20], train_order=5)
def on_errors(self, error):
if isinstance(error, MolConvertError):
raise error
else:
return error.old_smi
np.random.seed(123456)
ngram.on_errors = types.MethodType(on_errors, ngram)
with pytest.raises(MolConvertError):
old_smis = ['CC(=S)C([*])(C)=CCC([*])']
ngram.proposal(old_smis)
def on_errors(self, error):
if isinstance(error, GetProbError):
raise error
else:
return error.old_smi
np.random.seed(654321)
ngram.on_errors = types.MethodType(on_errors, ngram)
with pytest.raises(GetProbError):
old_smis = ['C([*])C([*])(C1=C(OCCC)C=CC(Br)C1)']
ngram.proposal(old_smis)
def test_ngram_2(data):
ngram = NGram()
with pytest.warns(RuntimeWarning, match='<sample_order>'):
ngram.fit(data['pg'][0][:20], train_order=5)
assert ngram._train_order == (1, 5)
assert ngram.sample_order == (1, 5)
assert ngram.ngram_table is not None
np.random.seed(123456)
with pytest.warns(RuntimeWarning, match='can not convert'):
old_smis = ['CC(=S)C([*])(C)=CCC([*])']
tmp = ngram.proposal(old_smis)
assert tmp == old_smis
np.random.seed(654321)
with pytest.warns(RuntimeWarning, match='get_prob: '):
old_smis = ['C([*])C([*])(C1=C(OCCC)C=CC(Br)C1)']
tmp = ngram.proposal(old_smis)
assert tmp == old_smis