def test_BondBranchBondSelector_select_all_bnds(self): """ test BondBranch select: all bonds """ bndSel = BondBranchBondSelector(2) ats = self.mol.allAtoms bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print 'all_bnds:len(resultBnds)=', len(resultBnds) self.assertEqual(len(resultBnds) , 120)
def test_BondBranchBondSelector_select_all_bnds(self): """ test BondBranch select: all bonds """ bndSel = BondBranchBondSelector(2) ats = self.mol.allAtoms bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print 'all_bnds:len(resultBnds)=', len(resultBnds) self.assertEqual(len(resultBnds), 120)
def test_BondBranchBondSelector_select_some_bnds(self): """ test BondBranch select: some bonds """ bndSel = BondBranchBondSelector(2) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print 'some_bnds:len(resultBnds)=', len(resultBnds) #self.assertEqual(len(resultBnds) , 1) self.assertEqual(len(resultBnds) , 2)
def test_BondBranchBondSelector_select_some_bnds(self): """ test BondBranch select: some bonds """ bndSel = BondBranchBondSelector(2) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print 'some_bnds:len(resultBnds)=', len(resultBnds) #self.assertEqual(len(resultBnds) , 1) self.assertEqual(len(resultBnds), 2)
def test_BondBranchBondSelector_constructor(self): """ test BondBranch constructor """ bndLenSel = BondBranchBondSelector(2) self.assertEqual(bndLenSel.__class__, BondBranchBondSelector)