def test_select_with_no_criteria(self): """ test select with no screening criteria """ bndSel = BondSelector() ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] bndSel.select(bnds)
def test_select_with_no_criteria(self): """ test select with no screening criteria """ bndSel = BondSelector() ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] bndSel.select(bnds)
def test_select_no_bonds(self): """ test select with criteria which selects no bonds """ bndSel = BondSelector([lambda x:x.atom1.number==2000]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) self.assertEqual(len(resultBnds) , 0)
def test_select_all_bonds(self): """ test select with criteria which selects all bonds """ bndSel = BondSelector([lambda x:x]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) self.assertEqual(len(resultBnds) , len(bnds))
def test_select_no_bonds(self): """ test select with criteria which selects no bonds """ bndSel = BondSelector([lambda x: x.atom1.number == 2000]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) self.assertEqual(len(resultBnds), 0)
def test_select_all_bonds(self): """ test select with criteria which selects all bonds """ bndSel = BondSelector([lambda x: x]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) self.assertEqual(len(resultBnds), len(bnds))
def test_select_one_bond(self): """ test select with criteria which selects one bond """ bndSel = BondSelector([lambda x:x.atom1.number==1]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #self.assertEqual(len(resultBnds) , 1) self.assertEqual(len(resultBnds) , 3)
def test_select_one_bond(self): """ test select with criteria which selects one bond """ bndSel = BondSelector([lambda x: x.atom1.number == 1]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #self.assertEqual(len(resultBnds) , 1) self.assertEqual(len(resultBnds), 3)
def test_select_two_criteria(self): """ test select with two criteria, result is sum """ bndSel = BondSelector([lambda x: x.atom1.number == 1, lambda x: x.atom1.number == 2]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) # self.assertEqual(len(resultBnds) , 3) self.assertEqual(len(resultBnds), 5)
def test_select_three_bonds(self): """ test select with criteria which selects some bonds """ bndSel = BondSelector([lambda x:x.atom1.number==1 or x.atom1.number==2]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print "len(resultBnds)=", len(resultBnds) #self.assertEqual(len(resultBnds) , 3) self.assertEqual(len(resultBnds) , 5)
def test_select_two_criteria(self): """ test select with two criteria, result is sum """ bndSel = BondSelector([lambda x:x.atom1.number==1, lambda x:\ x.atom1.number==2]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #self.assertEqual(len(resultBnds) , 3) self.assertEqual(len(resultBnds), 5)
def test_select_three_criteria(self): """ test select with three criteria, result is sum """ bndSel = BondSelector([lambda x:x.atom1.number==1, lambda x:\ x.atom1.number==2,lambda x:x.atom1.name=='CA']) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print 'len(resultBnds)==', len(resultBnds) #self.assertEqual(len(resultBnds) , 4) self.assertEqual(len(resultBnds) , 5)
def test_select_three_bonds(self): """ test select with criteria which selects some bonds """ bndSel = BondSelector( [lambda x: x.atom1.number == 1 or x.atom1.number == 2]) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print "len(resultBnds)=", len(resultBnds) #self.assertEqual(len(resultBnds) , 3) self.assertEqual(len(resultBnds), 5)
def test_select_three_criteria(self): """ test select with three criteria, result is sum """ bndSel = BondSelector([lambda x:x.atom1.number==1, lambda x:\ x.atom1.number==2,lambda x:x.atom1.name=='CA']) ats = self.mol.allAtoms[:10] bnds = ats.bonds[0] resultBnds = bndSel.select(bnds) #print 'len(resultBnds)==', len(resultBnds) #self.assertEqual(len(resultBnds) , 4) self.assertEqual(len(resultBnds), 5)
def test_select_with_no_bonds(self): """ test select with no input bonds """ bndSel = BondSelector([lambda x:x]) bndSel.select()
def test_select_with_no_bonds(self): """ test select with no input bonds """ bndSel = BondSelector([lambda x: x]) bndSel.select()