Nano RMC6F configuration processing

This modules holds stuff relevant to processing nano RMC6F configurations.

class rmc_tools.nano_stuff.NanoStuff

RMC6F nano configuration processing class.

This class contains methods for processing naon RMC6F configurations.

cent_rad_config(rmc6f_config)

Method for figuring out the center and radius of the input RMC6F nano configuration.

Provided nano RMC6F configuration, this method can extract information about the center and radius of the input nanoparticle configuration.

Arguments:

rmc6f_config {Object} – Instance of RMC6FReader class

Output:

The center and radius of input nanoparticle configuration can be accessed from instance variable centPos and NPRadius.

np_to_shells(rmc6f_config)

Method for grabbing shells from nano RMC6F configuration.

Provided nano RMC6F configuration, this method can extract shells from it. The center of the provided nanoparticle will be figured out automatically.

Arguments:

rmc6f_config {Object} – Instance of RMC6FReader class

Output:

shell_X.rmc6f – RMC6F configuration for generated shells.

np_shell_gen.log – Log information about shells generation.