def test_PeptideAromaticCycleBondSelector_select_some(self): """ test PeptideAromaticCycleBond select: 6 bonds """ PABS = PeptideAromaticCycleBondSelector() bnds = self.mol.chains.residues[:21].atoms.bonds[0] #includes 1 PHE resultBnds = PABS.select(bnds) self.assertEqual(len(resultBnds), 6)
def test_PeptideAromaticCycleBondSelector_labels_aromatic_bnds(self): """ test PeptideAromaticCycleBond labels aromatic bnds """ PABS = PeptideAromaticCycleBondSelector() bnds = self.mol.chains.residues.atoms.bonds[0] resultBnds = PABS.select(bnds) for b in resultBnds: self.assertEqual(hasattr(b, 'aromatic'), True)
def test_PeptideAromaticCycleBondSelector_select_all(self): """ test PeptideAromaticCycleBond select: all aromatic bonds in 1crn """ PABS = PeptideAromaticCycleBondSelector() ats = self.mol.allAtoms bnds = ats.bonds[0] resultBnds = PABS.select(bnds) self.assertEqual(len(resultBnds), 18)