Hi all,
    I have this problem where i need to combine two molecules at some
specific atom - one from one molecule, and one from the other. The way i do
this is attach a flag via generic data to both atoms before I do something
like *mol += otherMol*.
My question is, now I iterate over all the atoms until i find the ones with
the appropriate attribute and I was wondering if the molecule was able to
retrieve the atoms without iterating through all of them "my self"?

A follow up question, any suggestions as if this is the best way to connect
two molecules, perhaps i'm doing it the wrong way?

Much appreciated,

-Andi



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