Re: [ESPResSo-devel] mol available in pypresso?

[Georg Rempfer]

Hello Ivan,

while the python interface has come a long way, it is still work in progress. I don't think we removed mol intentionally. If it still exists in the C++ core (which I assume), it's easy to add it to the python interface. If you want to give it a try, you can most likely copy and adapt one of the other particle property interfaces in src/python/espressomd/particle_data.pyx

Let us know if you need more assistance.

Greetings,

Georg

On Fri, Mar 10, 2017 at 5:13 PM, Ivan Cimrak <address@hidden> wrote:

Hi guys,


We are busy writing python version of object-in-fluid here in Zilina and we have one question: does mol feature of part is available in pypresso? In the file particle_data.pyx, where the class  ParticleHandle is defined, there are parts of code for type, v, f, pos, etc, but there is non for mol. Is it intentional? Will there mol be available in near future?


I am asking, because we use mol to define particles containing one oif-object.


Thanks,

Ivan