That's just how it is. Storing all the molecules in memory is not
feasible for large files. You could just store the SMILES strings or
something.
If you want to check for memory leaks, read in each molecule without
saving to a container. I think you'll see that memory usage remains
low.
- Noel
On 27 March 2011 15:33, andi <ad...@mizzou.edu> wrote:
> I have this application implemented in Objective-C and I need to ported to
> C/C++.
>
> In Objective-C loading the file takes approximately 320MB
>
> Problem I'm having is when I try to load the same file this time storing my
> molecules in OBMol, the memory just sky rockets to over 2GB.
>
> Anyone has any ideas?
>
> Pseudo code goes like this:
>
> OBMol mol;
> while( not end of file ) {
> create empty mol
>
> while( not of file ) {
> if ( type is a vertex)
> mol.newAtom(...)
> if type is a bond)
> mol.newBond(...)
>
> if( type is end of molecule)
> break;
> }
>
> save the mol to container (ie. vector)
> mol.clear
> }
>
>
> I know in OBMol there is more overhead, but I wouldn't think it would this
> much of a difference.
>
> Thanks,
>
> Andi
>
> --
> View this message in context:
> http://forums.openbabel.org/Memory-Leak-or-Usage-tp3409445p3409445.html
> Sent from the openbabel-devel mailing list archive at Nabble.com.
>
> ------------------------------------------------------------------------------
> Enable your software for Intel(R) Active Management Technology to meet the
> growing manageability and security demands of your customers. Businesses
> are taking advantage of Intel(R) vPro (TM) technology - will your software
> be a part of the solution? Download the Intel(R) Manageability Checker
> today! http://p.sf.net/sfu/intel-dev2devmar
> _______________________________________________
> OpenBabel-Devel mailing list
> OpenBabel-Devel@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-devel
>
------------------------------------------------------------------------------
Enable your software for Intel(R) Active Management Technology to meet the
growing manageability and security demands of your customers. Businesses
are taking advantage of Intel(R) vPro (TM) technology - will your software
be a part of the solution? Download the Intel(R) Manageability Checker
today! http://p.sf.net/sfu/intel-dev2devmar
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel
