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)