SimulationData.py

# A Finite Element Method for Phase Transitions in Rarefied Gas Dynamics
# Copyright (C) 2026 D. Weniger
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program.  If not, see <http://www.gnu.org/licenses/>.

from collections import namedtuple
from dataclasses import dataclass

MaterialParameters_Type1 = namedtuple("MaterialParameters", ["TAU",
                                                            "GAMMA",
                                                            "H",
                                                            "ETA",
                                                            "XI",
                                                            "KN",
                                                            "VARTHETA"])

MaterialParameters_Type2 = namedtuple("MaterialParameters", ["TAU",
                                                            "GAMMA",
                                                            "H",
                                                            "ETA",
                                                            "T_F"])

MaterialParameters_Type4 = namedtuple("MaterialParameters", ["RHO1", "RHO2", "MU1", "MU2", "SIGMA"])

SimulationParameters = namedtuple("SimulationParameters", ["NUM_STEPS",
                                                         "START_TIME",
                                                         "END_TIME",
                                                         "MIN_ELEM_SIZE",
                                                         "MAX_ELEM_SIZE",
                                                         "BOX_COORDS",
                                                         "DT",
                                                         "VERBOSE",
                                                         "LOGGING",
                                                         "HAUSD",
                                                         "HGRAD",
                                                         "RMC"], defaults=[0.01, 1.1, 0.0001])

MappingParameters = namedtuple("Mapping", ["TransitionPoints", "Markers"])

@dataclass
class InterpolationData:
    RECOMPUTE_LEVELSET_INTERVALL: int = None
    STEP: int = None
    SYSTEM_OLD = None
    PHI_OLD = None

@dataclass
class SimulationData:
    simulation_parameters: SimulationParameters 
    material_parameters: MaterialParameters_Type1 | MaterialParameters_Type2 | MaterialParameters_Type4
    interpolation_data : InterpolationData = None
    mapping_parameters : MappingParameters = None
    
    def print(self) -> None:
        if self.simulation_parameters is not None:
            print("-----SIMULATION-PARAMETERS-----")
            for name, value in self.simulation_parameters._asdict().items():
                print(f"{name}: {value}")
            if self.interpolation_data is not None:
                print(f"RECOMPUTE-INTERVALL: {self.interpolation_data.RECOMPUTE_LEVELSET_INTERVALL}")
            print("-------------------------------")

        if self.material_parameters is not None:
            print("------MATERIAL-PARAMETERS------")
            for name, value in self.material_parameters._asdict().items():
                print(f"{name}: {value}")
            print("-------------------------------")