"""This package contains the decay megacomplex item."""
from __future__ import annotations
from typing import List
import numpy as np
import xarray as xr
from glotaran.builtin.megacomplexes.decay.irf import Irf
from glotaran.builtin.megacomplexes.decay.k_matrix import KMatrix
from glotaran.builtin.megacomplexes.decay.util import calculate_matrix
from glotaran.builtin.megacomplexes.decay.util import finalize_data
from glotaran.builtin.megacomplexes.decay.util import index_dependent
from glotaran.model import DatasetModel
from glotaran.model import Megacomplex
from glotaran.model import megacomplex
from glotaran.parameter import Parameter
[docs]@megacomplex(
dimension="time",
properties={
"compartments": List[str],
"rates": List[Parameter],
},
dataset_model_items={
"irf": {"type": Irf, "allow_none": True},
},
register_as="decay-sequential",
)
class DecaySequentialMegacomplex(Megacomplex):
"""A Megacomplex with one or more K-Matrices."""
[docs] def get_compartments(self, dataset_model: DatasetModel) -> list[str]:
return self.compartments
[docs] def get_initial_concentration(
self, dataset_model: DatasetModel, normalized: bool = True
) -> np.ndarray:
initial_concentration = np.zeros((len(self.compartments)), dtype=np.float64)
initial_concentration[0] = 1
return initial_concentration
[docs] def get_k_matrix(self) -> KMatrix:
size = len(self.compartments)
k_matrix = KMatrix()
k_matrix.matrix = {
(self.compartments[i + 1], self.compartments[i]): self.rates[i]
for i in range(size - 1)
}
k_matrix.matrix[self.compartments[-1], self.compartments[-1]] = self.rates[-1]
return k_matrix
[docs] def get_a_matrix(self, dataset_model: DatasetModel) -> np.ndarray:
return self.get_k_matrix().a_matrix_sequential(self.get_compartments(dataset_model))
[docs] def index_dependent(self, dataset_model: DatasetModel) -> bool:
return index_dependent(dataset_model)
[docs] def calculate_matrix(
self,
dataset_model: DatasetModel,
indices: dict[str, int],
**kwargs,
):
return calculate_matrix(self, dataset_model, indices, **kwargs)
[docs] def finalize_data(
self,
dataset_model: DatasetModel,
dataset: xr.Dataset,
is_full_model: bool = False,
as_global: bool = False,
):
finalize_data(dataset_model, dataset, is_full_model, as_global)