def test_CycleBondSelector_select_none(self):
"""
test CycleBondSelector select: no bonds
"""
cbSel = CycleBondSelector()
ats = self.mol.allAtoms[4:8]
bnds = ats.bonds[0]
resultBnds = cbSel.select(bnds)
#print 'no_cb_bonds:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds) , 0)
def test_CycleBondSelector_select_none(self):
"""
test CycleBondSelector select: no bonds
"""
cbSel = CycleBondSelector()
ats = self.mol.allAtoms[4:8]
bnds = ats.bonds[0]
resultBnds = cbSel.select(bnds)
#print 'no_cb_bonds:len(resultBnds)=', len(resultBnds)
self.assertEqual(len(resultBnds), 0)
def test_CycleBondSelector_select_all(self):
"""
test CycleBondSelector select: all bonds
"""
cbSel = CycleBondSelector()
ats = self.mol.allAtoms
bnds = ats.bonds[0]
resultBnds = cbSel.select(bnds)
#print 'all_cb_bonds:len(resultBnds)=', len(resultBnds)
#self.assertEqual(len(resultBnds) , 43)
#because of di-sulfide bridges:
#when increase RingFinder parameter "maxSize"
self.assertEqual(len(resultBnds) , 165)
def test_CycleBondSelector_select_all(self):
"""
test CycleBondSelector select: all bonds
"""
cbSel = CycleBondSelector()
ats = self.mol.allAtoms
bnds = ats.bonds[0]
resultBnds = cbSel.select(bnds)
#print 'all_cb_bonds:len(resultBnds)=', len(resultBnds)
#self.assertEqual(len(resultBnds) , 43)
#because of di-sulfide bridges:
#when increase RingFinder parameter "maxSize"
self.assertEqual(len(resultBnds), 165)