def test_BondOrderBondSelector_select_all(self):
"""
test BondOrder select: all bonds
"""
bobSel = BondOrderBondSelector()
ats = self.mol.allAtoms
bnds = ats.bonds[0]
resultBnds = bobSel.select(bnds)
#print 'all_cb_bonds:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds) , 341)
def test_BondOrderBondSelector_select_all(self):
"""
test BondOrder select: all bonds
"""
bobSel = BondOrderBondSelector()
ats = self.mol.allAtoms
bnds = ats.bonds[0]
resultBnds = bobSel.select(bnds)
#print 'all_cb_bonds:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds), 341)
def test_BondOrderBondSelector_select_some(self):
"""
test BondOrder select: some bonds
"""
bobSel = BondOrderBondSelector()
ats = self.mol.allAtoms[:50]
bnds = ats.bonds[0]
resultBnds = bobSel.select(bnds)
#print 'some_cb_bonds:len(resultBnds)=', len(resultBnds)
#self.assertEqual(len(resultBnds) , 43)
self.assertEqual(len(resultBnds) , 44)
def test_BondOrderBondSelector_select_none(self):
"""
test BondOrder select: no bonds
"""
bobSel = BondOrderBondSelector()
ats = self.mol.allAtoms[4:8]
bnds = ats.bonds[0]
resultBnds = bobSel.select(bnds)
#print 'no_cb_bonds:len(resultBnds)=', len(resultBnds)
#self.assertEqual(len(resultBnds) , 2)
self.assertEqual(len(resultBnds) , 3)
def test_BondOrderBondSelector_select_some(self):
"""
test BondOrder select: some bonds
"""
bobSel = BondOrderBondSelector()
ats = self.mol.allAtoms[:50]
bnds = ats.bonds[0]
resultBnds = bobSel.select(bnds)
#print 'some_cb_bonds:len(resultBnds)=', len(resultBnds)
#self.assertEqual(len(resultBnds) , 43)
self.assertEqual(len(resultBnds), 44)
def test_BondOrderBondSelector_select_none(self):
"""
test BondOrder select: no bonds
"""
bobSel = BondOrderBondSelector()
ats = self.mol.allAtoms[4:8]
bnds = ats.bonds[0]
resultBnds = bobSel.select(bnds)
#print 'no_cb_bonds:len(resultBnds)=', len(resultBnds)
#self.assertEqual(len(resultBnds) , 2)
self.assertEqual(len(resultBnds), 3)