Source code for mordred.tests.test_exceptions

from rdkit import Chem
from nose.tools import eq_

from mordred import Calculator, Descriptor
from mordred.error import Error


[docs]class RaiseDescriptor(Descriptor):
[docs] def parameters(self): return ()
def __init__(self, e, critical): self.e = e self.critical = critical def calculate(self): raise self.e
mol = Chem.MolFromSmiles('c1ccccc1')
[docs]def test_catch_non_critical_error(): calc = Calculator(RaiseDescriptor(ValueError('test exception'), False)) result = calc(mol)[0] assert isinstance(result, Error) eq_(result.error.args, ('test exception',))