Hi all,
Just wanted to say appreciate your quick responses and hopefully didn't cause
someone a bunch of waste of time.
I figured out what the issue was and it's pretty silly so I thought i'd share
in case someone runs into the same issue.
The reason of the data not being reflected was because I have a custom data
structure for my generic data. With that said, the data structure holds
obatom/obbond pointers. So now whenever I initialized a new molecule from
another, all of the generic data would copied to the new molecule. So whenever
I made changes to the obatom/obbond in the generic data in the new molecule,
the changes were taking place, but the atoms/bonds did not belong to this
molecule, they belonged to the original one. So all in all, once I initialize a
molecule from another, I needed to make sure the pointers in the generic data
belong to that molecule and not the original one.
Again, thanks for all your help, much appreciated.
-Andi
-
Andi Dhroso, PhD Student
University of Missouri
Informatics Institute and
Department of Computer Science
246 Engineering Building West
Columbia, MO 65211
phone: 573.823.0129
e-mail: andi.dhr...@mail.missouri.edu<mailto:andi.dhr...@mail.missouri.edu>
On Feb 7, 2013, at 4:33 AM, Noel O'Boyle
<baoille...@gmail.com<mailto:baoille...@gmail.com>> wrote:
You need to provide the relevant code snippet. It could be several things.
- Noel
On 7 February 2013 06:14, andi
<ad...@mail.missouri.edu<mailto:ad...@mail.missouri.edu>> wrote:
Hi all,
I am running into a strange problem and just can't seem to find a cause.
What I am trying to do is pass a an OBMol to some function and set some
generic data. One of the criteria is that I preserve the original molecule.
So what I do is I create a temporary mol and initialize it with the original
one such as this *OBMolecule tmpMolecule (originalMo);*.
The problem I am running into is that after I set my generic data in some
other function, upon return, the generic data is not being reflected, but if
I pass the original molecule, then the data is reflected.
Any help, suggestions would greatly be appreciated...I don't understand this
behavior at all.
Thanks,
Andi
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