Rdf_names OF OVITO PYTHON CoordinationAnalysisModifier

OVITO
1

Hello,

I want to ask a question regarding the CoordinationAnalysisModifier of Ovito Python:

When I imported a lammpsdata file to calculate the partial rdf, I needed to access the partial rdf names to carry out the following operations. Therefore, I use the command
rdf_names = rdf_table.y.component_names
however, the command automatically identified the element of the type (I guess that is because there is a mass section in the lammpsdata file).

What I want is to output the rdf_names of ‘1-4’, ‘2-4’ not ‘Fe-O’, ‘Fe-O’.
So how can I close the automatical identification?

Best regards,
Fan

2

Hi,

In the desktop application, you could directly edit/delete the Particle Type names under Data Source → Particle Types.

Analogous, you can control the names of the particle types through the Python interface as shown in the code examples of the ParticleType class here: ovito.data — OVITO Python Reference 3.9.2 documentation.

Moreover, you can look up the chemical element name corresponding to a particle type id like this:

data.particles.particle_types.type_by_id(1).name

and inversely:

data.particles.particle_types.type_by_name('Fe').id

3

Dear kalcher,

Thank you very much for your prompt and detailed reply. I really appreciate it.

Best,
Fan