Source code for pycif.plugins.models.iconart.perturb_model

import copy
from logging import warn




def perturb_model(self, nsamples, transf_mapper):

    self.chemistry.nsamples = nsamples
    self.chemistry.mapping_active2emi = {}
    self.chemistry.mapping_active2emi_ref = {}

    # Perturb active species in the chemical scheme
    list_acspecies = copy.deepcopy(self.chemistry.acspecies.attributes)
    for spec in list_acspecies:
        
        spec_plg = getattr(self.chemistry.acspecies, spec)
        list_emis_species = sorted(copy.deepcopy(spec_plg.emis_species))

        self.chemistry.mapping_active2emi_ref[spec] = list_emis_species
        for i in range(nsamples):
            spec_sample = "{}__sample#{:03d}".format(spec, i)
            self.chemistry.acspecies.attributes.append(spec_sample)
            setattr(self.chemistry.acspecies, spec_sample, spec_plg)

            emspecs_sample = ["{}__sample#{:03d}".format(emspec, i) 
                              for emspec in list_emis_species]
            self.chemistry.mapping_active2emi[spec_sample] = emspecs_sample
            
        # Remove the old active species
        delattr(self.chemistry.acspecies, spec)
        self.chemistry.acspecies.attributes.remove(spec)

    # Dump updated chemical scheme
    self.chemistry.create_chemicalscheme()