Make sure disulphide search is converted to a SelectorBond. #224
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This PR closes #223 and closes OpenBioSim/biosimspace_tutorials#20 by making sure any (succesful) search for disulphide bonds is converted to a
SelectorBond
, thus is iterable. At present, if a single result is found, then it is returned as aBond
, hence the logic that follows the search will fail, i.e. getting an item from will extract anAtom
, not aBond
.I've tested the search logic for other bonds in a molecule, e.g. those between specific atom names, or indices. I don't (yet) have a single disulphide bond test molecule to add.
devel
into this branch before issuing this pull request (e.g. by runninggit pull origin devel
): [y]Suggested reviewers:
@chryswoods