Re: [OpenBabel-Devel] High memory usage when converting to PNG

2014-12-03 Thread Noel O'Boyle
Apart from providing a small standalone piece of code as Craig says, the only other thing to check is whether the problem still exists with the current dev code. Regards, - Noel On 2 December 2014 at 15:26, Ernst-Georg Schmid wrote: > Hello, > > > >>The first thing I'd suggest is to take the sam

Re: [OpenBabel-Devel] High memory usage when converting to PNG

2014-12-02 Thread Ernst-Georg Schmid
Hello, >The first thing I'd suggest is to take the same code and write a simple >wrapper outside of the database context, a test program that you can run >against a few hundred molecules, and verify that it's growing. If it >seems to >be leaking, use valgrind(1) to track down the problem. Valgr

Re: [OpenBabel-Devel] High memory usage when converting to PNG

2014-12-02 Thread Craig James
On Tue, Dec 2, 2014 at 1:47 AM, Ernst-Georg Schmid < ernst-georg.sch...@bayer.com> wrote: > Hello, > > I'm using the following code to convert molfiles to PNG with > Openbabel-2.3.2 on Ubuntu 14.04 LTS: > > typedef struct > { > size_t datasz; > char data[1]; > } _PNG; > > extern "C" _PNG *

[OpenBabel-Devel] High memory usage when converting to PNG

2014-12-02 Thread Ernst-Georg Schmid
Hello, I'm using the following code to convert molfiles to PNG with Openbabel-2.3.2 on Ubuntu 14.04 LTS: typedef struct { size_t datasz; char data[1]; } _PNG; extern "C" _PNG * ob_molfile_to_png (char *molfile, int w, int h) { OBMol mol; OBConversion conv; string tmpStr (mol