moving the pixi.toml information into a single pyproject.toml

    <option name="namespacePackageFolders">

      <list>

        <option value="$MODULE_DIR$/resources" />

        <option value="$MODULE_DIR$/pythermogis" />

        <option value="$MODULE_DIR$/src" />

      </list>

    </option>

  </component>

class PyThermoGIS(TestCase):

    test_files_out_path = Path(path.dirname(path.dirname(__file__)), "resources") / "test_output"

    def test_transmissivity_calculation_for_Hans(self):

        thickness_mean = 10

        thickness_sd = 5

        ln_perm_mean = 5

        ln_perm_sd = 0.5

        nSamples = 1000

        p_values_list = [50]

        #

        #   Python

        #

        # convert p_values list to a xarray DataArray; needed to ensure the dimensionality of the calculations

        p_values = xr.DataArray(

            data=p_values_list,

            dims=["p_value"],

            coords=dict(

                p_value=(["p_value"], p_values_list),

            ))

        # Calculate Thickness, Permeability and Transmissivity for each P-value using the Python implementation

        transmissivity_store = []

        print(f"Calculating Thickness, Permeability and Transmissivity for Pvalue: {p_values_list[0]}")

        for i in range(10):

            thickness, permeability, transmissivity = xr.apply_ufunc(generate_thickness_permeability_transmissivity_for_pvalues,

                                                                     thickness_mean,

                                                                     thickness_sd,

                                                                     ln_perm_mean,

                                                                     ln_perm_sd,

                                                                     p_values,

                                                                     kwargs={"nSamples": nSamples},

                                                                     input_core_dims=[[], [], [], [], []],

                                                                     output_core_dims=[[], [], []],

                                                                     vectorize=True

                                                                     )

            transmissivity_store.append(transmissivity.values[0])

            print(f"thickness: {thickness.values[0]}, permeability: {permeability.values[0]}, transmissivity: {transmissivity.values[0]}")

        print(f"transmissivity mean: {np.mean(transmissivity_store)}, sd: {np.std(transmissivity_store)}")

    def test_transmissivity_calculation(self):

        """

        When calculating the Transmissivity values in the python code, we get a different value than the values from the java benchmark;