geoloop 0.0.1__py3-none-any.whl → 1.0.0b1__py3-none-any.whl

geoloop/plotting/load_data.py

@@ -0,0 +1,432 @@
+from pathlib import Path
+
+import pandas as pd
+import xarray as xr
+
+from geoloop.configuration import PlotInputConfig
+
+
+class PlotInput:
+    """
+    A class to handle the settings from the plotting configuration file and load the simulation dataset that requires plotting.
+
+    Attributes
+    ----------
+    base_dir : str or Path object
+        Base directory for simulation results.
+    run_names : list
+        Names of the simulation runs.
+    model_types : list
+        Type of Geoloop model used in the simulations (i.e., ANALYTICAL, FINVOL).
+    run_types : list
+        Type of simulation runs (i.e., target power (run_type=TIN) or target fluid temperatures (run_type=POWER)).
+    run_modes : list
+        Modes of runs (i.e., single run (SR), Monte Carlo (MC)).
+    plot_names : list
+        Names of simulation runs that is used in the legend of the plots. Optional.
+    plot_nPipes : list
+        Index for pipes dimension (nPipes) to use in the data selection for plotting of the results.
+    plot_layer_k_ss : list
+        Index for dimension layer_k_s to use in the data selection for plotting of the input parameters.
+    plot_layer_kgs : list
+        Index for dimension layer_kg to use in the data selection for plotting of the input parameters.
+    plot_layer_Tgs : list
+        Index for dimension layer_Tg to use in the data selection for plotting of the input parameters.
+    plot_nzs : list
+        Index for dimension z to use in the data selection for plotting of the results.
+    plot_ntimes : list
+        Index for dimension time to use in the data selection for plotting of the results.
+    plot_nzsegs : list
+        Index for dimension zseg to use in the data selection for plotting of the results.
+    plot_times : list
+        Timesteps in the simulation results for which the depth-profiles are plotted.
+    plot_temperature_field : bool
+        Flag to plot temperature fields in case of plotting numerical simulation.
+    plot_time_depth : bool
+        Flag to plot time-depth profiles.
+    plot_time_parameters : list
+        Parameters to plot in a timeseries plot. Options: dploop, qloop, flowrate, T_fi, T_fo, T_bave, Q_b, COP, Delta_T.
+        Where Delta_T = T_fo - T_fi and COP = Q_b/qloop
+    plot_depth_parameters : list
+        Parameters to plot in the depth plots. Options: T_b, Tg, T_f, Delta_T
+    plot_crossplot_barplot : bool
+        Flag to plot scatter crossplots and bar sensitivity plot in case of a Monte Carlo simulation.
+    newplot : bool
+        Flag for new plot for every listed simulation in the config, or overlay the plots of the listed simulations.
+    crossplot_vars : list
+        Data variables to plot on the y-axis of the cross plots in case of a Monte Carlo simulation.
+    """
+
+    def __init__(
+        self,
+        base_dir: str | Path,
+        run_names: list[str],
+        model_types: list[str],
+        run_types: list[str],
+        run_modes: list[str],
+        plot_names: list[str | None],
+        plot_nPipes: list[int],
+        plot_layer_k_ss: list[int],
+        plot_layer_kgs: list[int],
+        plot_layer_Tgs: list[int],
+        plot_nzs: list[int],
+        plot_ntimes: list[int],
+        plot_nzsegs: list[int],
+        plot_times: list[int],
+        plot_temperature_field: bool,
+        plot_time_depth: bool,
+        plot_crossplot_barplot: bool,
+        newplot: bool,
+        crossplot_vars: list[str],
+        plot_time_parameters: list[str] | bool,
+        plot_depth_parameters: list[str] | bool,
+        plot_borehole_temp: list[int],
+    ):
+        self.base_dir = base_dir
+        self.run_names = run_names
+        self.model_types = model_types
+        self.run_types = run_types
+        self.run_modes = run_modes
+        self.plot_names = plot_names
+        self.plot_nPipes = plot_nPipes
+        self.plot_layer_k_ss = plot_layer_k_ss
+        self.plot_layer_kgs = plot_layer_kgs
+        self.plot_layer_Tgs = plot_layer_Tgs
+        self.plot_nzs = plot_nzs
+        self.plot_ntimes = plot_ntimes
+        self.plot_nzsegs = plot_nzsegs
+        self.plot_times = plot_times
+        self.plot_temperature_field = plot_temperature_field
+        self.plot_time_depth = plot_time_depth
+        self.plot_crossplot_barplot = plot_crossplot_barplot
+        self.newplot = newplot
+        self.crossplot_vars = crossplot_vars
+        self.plot_time_parameters = plot_time_parameters
+        self.plot_depth_parameters = plot_depth_parameters
+        self.plot_borehole_temp = plot_borehole_temp
+
+    @classmethod
+    def from_config(cls, config: PlotInputConfig) -> "PlotInput":
+        """
+        Create a PlotInput instance from a configuration dictionary.
+
+        Parameters
+        ----------
+        config : PlotInputConfig
+            Configuration object containing parameters for plotting.
+
+        Returns
+        -------
+        PlotInput
+        """
+        # Handle optional plot_names
+        plot_names = (
+            config.plot_names
+            if config.plot_names is not None
+            else [False] * len(config.run_names)
+        )
+
+        return cls(
+            base_dir=config.base_dir,
+            run_names=config.run_names,
+            model_types=config.model_types,
+            run_types=config.run_types,
+            run_modes=config.run_modes,
+            plot_names=plot_names,
+            plot_nPipes=config.plot_nPipes,
+            plot_layer_k_ss=config.plot_layer_k_s,
+            plot_layer_kgs=config.plot_layer_kg,
+            plot_layer_Tgs=config.plot_layer_Tg,
+            plot_nzs=config.plot_nz,
+            plot_ntimes=config.plot_ntime,
+            plot_nzsegs=config.plot_nzseg,
+            plot_times=config.plot_times,
+            plot_temperature_field=config.plot_temperature_field,
+            plot_time_depth=config.plot_time_depth,
+            plot_crossplot_barplot=config.plot_crossplot_barplot,
+            newplot=config.newplot,
+            crossplot_vars=config.crossplot_vars,
+            plot_time_parameters=config.plot_time_parameters,
+            plot_depth_parameters=config.plot_depth_parameters,
+            plot_borehole_temp=config.plot_borehole_temp,
+        )
+
+    def list_filenames(self) -> None:
+        """
+        Construct filenames for loading the .h5 files with simulation results.
+        """
+        self.file_names = []
+        for i in range(len(self.run_names)):
+            file_name = (
+                self.run_names[i]
+                + "_"
+                + self.model_types[i][0]
+                + "_"
+                + self.run_types[i][0]
+                + "_"
+                + self.run_modes[i]
+            )
+            self.file_names.append(file_name)
+
+    def load_params_result_data(self) -> tuple:
+        """
+        Load the .h5 file(s) for the simulations that are plotted.
+
+        Returns
+        -------
+        Tuple[List[xr.Dataset], List[xr.Dataset]]
+            A tuple containing simulation input parameter dataset and simulation results dataset.
+        """
+        params_ds = []
+        results_ds = []
+
+        for i in range(len(self.run_names)):
+            out_path = self.base_dir / self.run_names[i] / self.file_names[i]
+            datasets_h5path = out_path.with_name(out_path.stem + ".h5")
+
+            # Open and close datasets immediately after reading them
+            with xr.open_dataset(
+                datasets_h5path, group="parameters", engine="h5netcdf"
+            ) as param_ds_i:
+                params_ds.append(param_ds_i.load())  # Load into memory, then close file
+
+            with xr.open_dataset(
+                datasets_h5path, group="results", engine="h5netcdf"
+            ) as results_ds_i:
+                results_ds.append(results_ds_i.load())
+
+        return (
+            params_ds,
+            results_ds,
+        )  # Now these are fully loaded and detached from file
+
+    def load_temperature_field_data(self) -> list[xr.DataArray]:
+        """
+        Only compatible with results of numerical (FINVOL model) simulations, that explicitly saved the calculated
+        temperature grid around the borehole.
+        Load the .h5 file(s) with temperature grid data.
+
+        Returns
+        -------
+        List[xr.DataArray]
+            List of temperature field DataArrays.
+        """
+
+        temperature_field_da = []
+
+        for i in range(len(self.run_names)):
+            if self.model_types[i] != "FINVOL":
+                print(
+                    "Model type does not allow for plotting numerical temperature field."
+                )
+                continue
+
+            self.file_names_T = []
+            file_name_T = f"{self.run_names[i]}_{self.model_types[0][i]}_{self.run_types[0][i]}_FINVOL_T"
+            self.file_names_T.append(file_name_T)
+
+            out_path = self.base_dir / self.run_names[i] / file_name_T
+            Tfield_res_h5path = out_path.with_name(out_path.stem + ".h5")
+
+            # Open and close the dataset immediately after reading
+            with xr.open_dataarray(
+                Tfield_res_h5path, group="Temperature", engine="h5netcdf"
+            ) as temperature_field_da_i:
+                temperature_field_da.append(
+                    temperature_field_da_i.load()
+                )  # Load into memory
+
+        return temperature_field_da
+
+
+class DataTotal:
+    """
+    A class to store simulation input parameter and result datasets.
+
+    Attributes
+    ----------
+    results_ds : xarray.Dataset or list of xarray.Dataset
+        Dataset (or list of Datasets) containing simulation results.
+    params_ds : xarray.Dataset or list of xarray.Dataset
+        Dataset (or list of Datasets) containing simulation input parameters.
+    Tresult_da : xarray.Dataset or list of xarray.Dataset
+        DataArray containing 3D (z=len(1)) grid of calculated temperature values around the borehole.
+    """
+
+    def __init__(self, results_ds, params_ds, temperature_field_da):
+        self.results_ds = results_ds
+        self.params_ds = params_ds
+        self.temperature_field_da = temperature_field_da
+
+
+class DataSelection:
+    """
+    A class to select datasets required for plotting. It stores subsets of simulation input parameters and simulation
+    results for the different plot types.
+
+    Attributes
+    ----------
+    crossplot_params_df : pd.DataFrame or list of pd.DataFrame
+        DataFrame (or list of DataFrames) of simulation input parameters for the cross-plots.
+    crossplot_results_df : pd.DataFrame or list of pd.DataFrame
+        DataFrame (or list of DataFrames) of simulation results for the cross-plots.
+    timeplot_results_df : pd.DataFrame or list of pd.DataFrame
+        DataFrame (or list of DataFrames) of simulation results for the time-plots.
+    depthplot_params_ds : xarray.Dataset or list of xarray.Dataset
+        Datasets (or list of Datasets) of simulation input parameters for the depth-plots.
+    depthplot_results_ds : xarray.Dataset or list of xarray.Dataset
+        Datasets (or list of Datasets) of simulation results for the depth-plots.
+    """
+
+    def __init__(
+        self,
+        crossplot_params_df: list[pd.DataFrame],
+        crossplot_results_df: list[pd.DataFrame],
+        timeplot_results_df: list[pd.DataFrame],
+        depthplot_params_ds: list[xr.Dataset],
+        depthplot_results_ds: list[xr.Dataset],
+    ):
+        self.crossplot_params_df = crossplot_params_df
+        self.crossplot_results_df = crossplot_results_df
+        self.timeplot_results_df = timeplot_results_df
+        self.depthplot_params_ds = depthplot_params_ds
+        self.depthplot_results_ds = depthplot_results_ds
+
+    @classmethod
+    def select_sub_datasets(
+        cls, plotinput: PlotInput, datatotal: DataTotal
+    ) -> "DataSelection":
+        """
+        Selects and aggregates subsets of datasets for plotting, based on PlotInput settings.
+
+        Parameters
+        ----------
+        plotinput : PlotInput
+            Plotting configuration.
+        datatotal : DataTotal
+            Object containing simulation datasets (including simulation results and input parameters).
+
+        Returns
+        -------
+        DataSelection
+            Object containing selected subsets of datasets ready for plotting.
+        """
+        crossplot_params_df_total = []
+        crossplot_results_df_total = []
+        timeplot_results_df_total = []
+        depthplot_params_ds_total = []
+        depthplot_results_ds_total = []
+
+        for i in range(len(plotinput.run_names)):
+            plot_nPipe = plotinput.plot_nPipes[i]
+            plot_layer_k_s = plotinput.plot_layer_k_ss[i]
+            plot_layer_kg = plotinput.plot_layer_kgs[i]
+            plot_layer_Tg = plotinput.plot_layer_Tgs[i]
+            plot_nz = plotinput.plot_nzs[i]
+            plot_ntime = plotinput.plot_ntimes[i]
+            plot_nzseg = plotinput.plot_nzsegs[i]
+            file_name = plotinput.file_names[i]
+            plot_name = plotinput.plot_names[i]
+
+            param_ds = datatotal.params_ds[i]
+            results_ds = datatotal.results_ds[i]
+
+            # For plotting, add run_name dummy in all dims to the results and param datasets
+            # Use plot_name if defined, otherwise fallback to file_name
+            name_to_use = plot_name if plot_name else file_name
+
+            # Add to param_ds
+            param_ds["file_name"] = xr.DataArray(
+                data=name_to_use,
+                dims=("samples", "nPipes", "layer_k_s", "layer_k_g", "layer_Tg"),
+                coords=param_ds.coords,
+            )
+
+            # Add to results_ds based on run mode
+            if plotinput.run_modes[i] == "SR":
+                results_ds["file_name"] = xr.DataArray(
+                    data=name_to_use,
+                    dims=("samples", "time", "nPipes", "zseg", "z"),
+                    coords=results_ds.coords,
+                )
+            elif plotinput.run_modes[i] == "MC":
+                results_ds["file_name"] = xr.DataArray(
+                    data=name_to_use,
+                    dims=("samples", "time", "nPipes"),
+                    coords=(results_ds.samples, results_ds.time, results_ds.nPipes),
+                )
+
+            # Select crossplot datasets
+            # Parameters
+            crossplot_params_ds = param_ds.isel(
+                layer_k_s=plot_layer_k_s,
+                layer_k_g=plot_layer_kg,
+                layer_Tg=plot_layer_Tg,
+                xy=-1,
+                nPipes=plot_nPipe,
+            )
+            crossplot_params_df = crossplot_params_ds.to_dataframe(["samples"])
+            crossplot_params_df["samples"] = crossplot_params_df.index
+            crossplot_params_df = crossplot_params_df.reset_index(drop=True)
+            crossplot_params_df_total.append(crossplot_params_df)
+
+            # Results
+            # for cross-plotting, calculate average of the results over all dimensions except samples and time
+            crossplot_k_s_avg = results_ds.isel(
+                time=plot_ntime, z=plot_nz, nPipes=plot_nPipe
+            )["k_s"].mean(dim="zseg")
+            if "z" in results_ds["k_g"].dims:
+                crossplot_k_g_avg = results_ds.isel(
+                    time=plot_ntime, zseg=plot_nzseg, nPipes=plot_nPipe
+                )["k_g"].mean(dim="z")
+            else:
+                crossplot_k_g_avg = results_ds.isel(time=plot_ntime, nPipes=plot_nPipe)[
+                    "k_g"
+                ].mean(dim="zseg")
+            crossplot_T_b_avg = results_ds.isel(
+                time=plot_ntime, z=plot_nz, nPipes=plot_nPipe
+            )["T_b"].mean(dim="zseg")
+            crossplot_qzb_avg = results_ds.isel(
+                time=plot_ntime, z=plot_nz, nPipes=plot_nPipe
+            )["qzb"].mean(dim="zseg")
+            crossplot_results_ds = results_ds.isel(
+                time=plot_ntime, zseg=plot_nzseg, z=plot_nz, nPipes=plot_nPipe
+            )
+            crossplot_results_df = crossplot_results_ds.to_dataframe(["samples"])
+
+            # Add calculated averages over depth to the datafame for plotting
+            crossplot_results_df["k_s_res"] = crossplot_k_s_avg.values
+            crossplot_results_df["k_g_res"] = crossplot_k_g_avg.values
+            crossplot_results_df["T_b"] = crossplot_T_b_avg.values
+            crossplot_results_df["qzb"] = crossplot_qzb_avg.values
+            crossplot_results_df["samples"] = crossplot_results_df.index
+            crossplot_results_df = crossplot_results_df.reset_index(drop=True)
+            crossplot_results_df_total.append(crossplot_results_df)
+
+            # Select timeplot datasets
+            # Select the desired dimensions from the param dataset to convert to a dataframe for plotting
+            timeplot_results_ds = results_ds.isel(
+                samples=-1, zseg=plot_nzseg, z=plot_nz, nPipes=plot_nPipe
+            )
+            timeplot_results_df = timeplot_results_ds.to_dataframe(["time"])
+            timeplot_results_df["time"] = timeplot_results_df.index
+            timeplot_results_df = timeplot_results_df.reset_index(drop=True)
+            timeplot_results_df_total.append(timeplot_results_df)
+
+            # Selects depthplot datasets
+            # For MC runs, select here another sample to plot a depth plot with another thermal conductivity profile
+            # than the basecase
+            depthplot_params_ds = param_ds.isel(samples=-1)
+            depthplot_results_ds = results_ds.isel(samples=-1)
+            depthplot_results_ds_total.append(depthplot_results_ds)
+            depthplot_params_ds_total.append(depthplot_params_ds)
+
+        dataselection = cls(
+            crossplot_params_df_total,
+            crossplot_results_df_total,
+            timeplot_results_df_total,
+            depthplot_params_ds_total,
+            depthplot_results_ds_total,
+        )
+
+        return dataselection

geoloop/utils/RunManager.py

@@ -0,0 +1,164 @@
+import time
+
+import numpy as np
+from scipy.stats import lognorm, norm, triang, uniform
+from tqdm import tqdm
+
+from geoloop.bin.SingleRunSim import SingleRun, optimize_forkeys
+from geoloop.configuration import SingleRunConfig
+from geoloop.geoloopcore.simulationparameters import SimulationParameters
+from geoloop.utils.helpers import get_param_names
+
+
+def sample_parameter_space(config: SingleRunConfig) -> tuple[dict, list[str]]:
+    """
+    Sample the model parameter space based on definitions provided in `config`.
+
+    Parameters
+    ----------
+    config : SingleRunConfig
+        Object containing parameter definitions. Must include:
+        ``n_samples`` : int
+            Number of Monte Carlo samples to generate.
+        Remaining keys should define either:
+            * A fixed numerical value, or
+            * A distribution definition list: [dist_type, p1, p2, (optional p3)]
+              where dist_type ∈ {"normal", "uniform", "lognormal", "triangular"}.
+
+    Returns
+    -------
+    sample_space : dict of array-like
+        Dictionary mapping parameter names → sampled values with shape ``(n_samples,)``.
+    varying_parameters : list of str
+        List of parameter names that were sampled from statistical distributions.
+
+    Notes
+    -----
+    Locked parameters (non-varying) are broadcast to all samples.
+    """
+    variables_config = config.variables_config
+    n_samples = variables_config.n_samples
+
+    sample_space = dict()
+
+    variable_param_names, locked_param_names = get_param_names(config)
+
+    np.random.seed(1)
+    varying_parameters = []
+
+    for param_name in variable_param_names:
+        dist = getattr(variables_config, param_name)
+
+        if isinstance(dist, tuple):
+            dist_name = dist[0].lower()
+            varying_parameters.append(param_name)
+
+            if dist_name == "normal":
+                mean, std_dev = dist[1], dist[2]
+                samples = norm(loc=mean, scale=std_dev).rvs(size=n_samples)
+            elif dist_name == "uniform":
+                min, max = dist[1], dist[2]
+                samples = uniform(loc=min, scale=max - min).rvs(size=n_samples)
+
+            elif dist_name == "lognormal":
+                mu, sigma = dist[1], dist[2]
+                samples = lognorm(s=sigma, scale=np.exp(mu)).rvs(n_samples)
+
+            elif dist_name == "triangular":
+                min, peak, max = dist[1], dist[2], dist[3]
+                samples = triang(
+                    loc=min, scale=max - min, c=(peak - min) / (max - min)
+                ).rvs(size=n_samples)
+
+            else:
+                raise ValueError(f"Unknown distribution '{dist_name}' in {param_name}")
+
+            sample_space[param_name] = samples
+            continue
+
+        # Case 2: No distribution → lock to fixed value in main config
+        fixed_value = getattr(config, param_name)
+        sample_space[param_name] = np.full(n_samples, float(fixed_value))
+
+    # broadcast locked (non-varying) parameters
+    for param_name in locked_param_names:
+        sample_space[param_name] = [
+            getattr(config, param_name) for _ in range(n_samples)
+        ]
+
+    return sample_space, varying_parameters
+
+
+def run_models(config: SingleRunConfig) -> tuple[dict, list]:
+    """
+    Execute Monte Carlo model runs based on sampled parameters.
+
+    Parameters
+    ----------
+    config : SingleRunConfig
+
+        Model configuration. Must include:
+        ``n_samples`` : int
+            Number of stochastic simulations.
+        Must also be compatible with ``sample_parameter_space`` and
+        ``SingleRun.from_config``.
+
+    Returns
+    -------
+    parameters : dict
+        Sampled input parameter space with arrays sized ``(n_samples,)``.
+    results : list
+        List of SingleRunResult model result objects, one per sample.
+    """
+    parameters, varying_param = sample_parameter_space(
+        config
+    )  # parameters = sample space
+
+    n_samples = config.variables_config.n_samples
+    print(f"Running {n_samples} models")
+    print("Varying: {}".format(", ".join(varying_param)))
+    time.sleep(0.1)  # For pretty printing
+
+    base_dict = config.model_dump(serialize_as_any=True)
+
+    results = []
+    for a in tqdm(range(n_samples)):
+        # Inject sampled parameters
+        for key in parameters:
+            try:
+                base_dict[key] = parameters[key][a]
+            except:
+                print("Parameter assignment error for:", key)
+
+        # Create SimulationParameters and update time in the base_dict
+        sim_params = SimulationParameters.from_config(config)
+        base_dict["time"] = sim_params.time
+
+        # Optional optimization
+        if config.dooptimize:
+            cop_crit = config.copcrit
+            optimize_keys = config.optimize_keys
+            optimize_bounds = config.optimize_keys_bounds
+
+            print(f"Optimizing flow rate for COP: {cop_crit}")
+            if config.dploopcrit:
+                print(f"Maximum pressure constraint: {config.dploopcrit}")
+            print(f"Optimizing keys: {optimize_keys}")
+            print(f"Bounds: {optimize_bounds}")
+
+            # find optimized config parameters
+            _, optimized_params = optimize_forkeys(
+                base_dict, cop_crit, optimize_keys, optimize_bounds, a
+            )
+            # Update the parameters dict with the optimized values
+            for key in optimize_keys:
+                parameters[key][a] = optimized_params[key]
+
+        sample_config = SingleRunConfig(**base_dict)
+
+        # Run full model
+        single_run = SingleRun.from_config(sample_config)
+        run_result = single_run.run(a)
+        results.append(run_result)
+
+    return parameters, results