I partially agree with the explanation.
What makes me uncomfortable is the inconsistency of the behavior between the
two methods.
Ideally, either both OBAtom.GetResidue() and OBResidue.GetResidue() should
trigger residue
perception, or none.
The current behavior opens the way to all kinds of un
I guess that calling GetResidue triggers residue perception but the
iterator doesn't trigger it. I don't think it's a bug - just because
GetResidue automatically does something doesn't mean that everything
should. In particular, iterators shouldn't have side-effects. To
directly perceive, uses OBCh
Hi,
I'm a little bit puzzled by the behavior of the following code:
import pybel
ob = pybel.ob
smi = 'c1c1'
mol = pybel.readstring('smi', smi).OBMol
print "RESIDUES FOUND:", len([ x for x in ob.OBResidueIter(mol)])
mol.GetAtom(1).GetResidue()
print "RESIDUES FOUND:"
