Source code for reconstruction.ecoli.dataclasses.state.uniqueMolecules

"""
SimulationData for unique molecules state
"""

import collections

import numpy as np

from wholecell.utils import units
from wholecell.utils.unit_struct_array import UnitStructArray

from reconstruction.ecoli.dataclasses.state.stateFunctions import addToStateCommon




class UniqueMolecules(object):
    """UniqueMolecules"""

    def __init__(self, raw_data, sim_data):
        self.unique_molecule_definitions = collections.OrderedDict()

        uniqueMoleculeMasses = np.zeros(
            0,
            dtype=[
                ("id", "U50"),
                ("mass", "{}f8".format(len(sim_data.submass_name_to_index))),
            ],
        )
        field_units = {"id": None, "mass": units.g / units.mol}

        self.unique_molecule_masses = UnitStructArray(uniqueMoleculeMasses, field_units)



    def add_to_unique_state(self, uniqueId, attributeDef, mass):
        self.unique_molecule_definitions.update({uniqueId: attributeDef})
        self.unique_molecule_masses = addToStateCommon(
            self.unique_molecule_masses, [uniqueId], mass
        )