def test_write(self): """ test writing a pdbq file """ writer = PdbqWriter() writer.write('test_pdbqWriter.pdbq', self.mol, bondOrigin=('File',)) ans, errors = self.compare('Data/1crn_Hs.pdbq', 'test_pdbqWriter.pdbq') self.assertEquals(errors, None) self.assertEquals(ans, True)