Source code for catmap.scalers.null_scaler

from .scaler_base import *

[docs]class NullScaler(ScalerBase): """Scaler which passes descriptor values directly to solver"""
[docs] def get_electronic_energies(self,descriptors): E_dict = {} for g in self.gas_names: E_dict[g] = self.species_definitions[g]['formation_energy'] for i,di in enumerate(self.descriptor_names): E_dict[di] = descriptors[i] return E_dict
[docs] def get_rxn_parameters(self,descriptors): Gs = self.get_free_energies(descriptors) return [Gs[d] for d in self.descriptor_names]
# return descriptors