From 6188032ec702323cf0989c62a5de699991e17da8 Mon Sep 17 00:00:00 2001 From: jjflorian Date: Thu, 11 Dec 2025 13:33:51 +0100 Subject: [PATCH 01/27] attempt to add transmissivity --- .gitignore | 4 +- pixi.lock | 222 +++++++++++++++--- pyproject.toml | 6 +- src/pythermogis/thermogis_classes/doublet.py | 2 +- .../{utc_properties.py => configuration.py} | 20 +- src/pythermogis/workflow/utc/cooling_temp.py | 2 +- src/pythermogis/workflow/utc/doublet.py | 2 +- src/pythermogis/workflow/utc/doubletcalc.py | 2 +- src/pythermogis/workflow/utc/economics.py | 2 +- src/pythermogis/workflow/utc/flow.py | 2 +- src/pythermogis/workflow/utc/heatpump.py | 2 +- src/pythermogis/workflow/utc/pressure.py | 2 +- src/pythermogis/workflow/utc/utc.py | 202 ++++++++++++++++ src/pythermogis/workflow/utc/well_distance.py | 2 +- tests/utc/test_calculate_volumetric_flow.py | 2 +- tests/utc/test_doublet.py | 2 +- tests/utc/test_doubletcalc.py | 2 +- tests/utc/test_properties.py | 4 +- tests/utc/test_well_distance_optimizer.py | 2 +- .../utc_test_input/simplified_ln_perm_sd.nc | Bin 0 -> 8674 bytes tests/utc/utc_test_input/simplified_ntg.nc | Bin 0 -> 8682 bytes tests/utc/utc_test_input/simplified_perm.nc | Bin 0 -> 8312 bytes tests/utc/utc_test_input/simplified_poro.nc | Bin 0 -> 8656 bytes tests/utc/utc_test_input/simplified_thick.nc | Bin 0 -> 8667 bytes .../utc/utc_test_input/simplified_thick_sd.nc | Bin 0 -> 8654 bytes tests/utc/utc_test_input/simplified_top.nc | Bin 0 -> 8674 bytes 26 files changed, 425 insertions(+), 59 deletions(-) rename src/pythermogis/workflow/utc/{utc_properties.py => configuration.py} (89%) create mode 100644 src/pythermogis/workflow/utc/utc.py create mode 100644 tests/utc/utc_test_input/simplified_ln_perm_sd.nc create mode 100644 tests/utc/utc_test_input/simplified_ntg.nc create mode 100644 tests/utc/utc_test_input/simplified_perm.nc create mode 100644 tests/utc/utc_test_input/simplified_poro.nc create mode 100644 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>=2023.10.0 + - obstore >=0.5.1 + license: MIT + license_family: MIT + purls: + - pkg:pypi/zarr?source=hash-mapping + size: 305998 + timestamp: 1763742695201 - conda: https://conda.anaconda.org/conda-forge/noarch/zict-3.0.0-pyhd8ed1ab_1.conda sha256: 5488542dceeb9f2874e726646548ecc5608060934d6f9ceaa7c6a48c61f9cc8d md5: e52c2ef711ccf31bb7f70ca87d144b9e diff --git a/pyproject.toml b/pyproject.toml index b0c22a3..38d521a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -16,7 +16,7 @@ license = { file = "LICENSE" } requires-python = ">=3.11" dependencies = [ "jpype1>=1.5.2,<2", - "xarray==2024.9.0.*", + "xarray==2025.12.0.*", "pandas>=2.2.3,<3", "pytz>=2024.1,<2025", "build>=1.2.2.post1,<2", @@ -42,6 +42,7 @@ platforms = ["win-64", "linux-64"] [tool.pixi.pypi-dependencies] pythermogis = { path = ".", editable = true } +pydoubletcalc = { path = 'C:\Users\knappersfy\work\thermogis\pydoubletcalc', editable = true } [tool.pixi.tasks] test = "PYTHONPATH=src/pythermogis pytest -s tests/" @@ -53,7 +54,7 @@ pytg = "PYTHONPATH=src pixi run python src/pythermogis/main.py" [tool.pixi.dependencies] python = ">=3.13.2,<3.14" jpype1 = ">=1.5.2,<2" -xarray = "2024.9.0.*" +xarray = "2025.12.0.*" pandas = ">=2.2.3,<3" setuptools = ">=75.8.2,<76" wheel = ">=0.45.1,<0.46" @@ -71,6 +72,7 @@ pre-commit = ">=4.3.0,<5" python-dotenv = ">=1.2.1,<2" numba = ">=0.62.1,<0.63" ruff = ">=0.14.8,<0.15" +zarr = ">=3.1.5,<4" [tool.ruff] line-length = 88 diff --git a/src/pythermogis/thermogis_classes/doublet.py b/src/pythermogis/thermogis_classes/doublet.py index 50d3163..b802ca1 100644 --- a/src/pythermogis/thermogis_classes/doublet.py +++ b/src/pythermogis/thermogis_classes/doublet.py @@ -2,7 +2,7 @@ import numpy as np import xarray as xr from jpype import JClass from pythermogis.workflow.utc.doublet import calculate_doublet_performance, DoubletInput, DoubletOutput -from pythermogis.workflow.utc.utc_properties import UTCConfiguration +from pythermogis.workflow.utc.configuration import UTCConfiguration def simulate_doublet( diff --git a/src/pythermogis/workflow/utc/utc_properties.py b/src/pythermogis/workflow/utc/configuration.py similarity index 89% rename from src/pythermogis/workflow/utc/utc_properties.py rename to src/pythermogis/workflow/utc/configuration.py index b9f9399..04a2cc5 100644 --- a/src/pythermogis/workflow/utc/utc_properties.py +++ b/src/pythermogis/workflow/utc/configuration.py @@ -62,16 +62,16 @@ class UTCConfiguration: ) property_grid_infos: list[PropertyGridInfo] = field( default_factory=lambda: [ - PropertyGridInfo("Permeability", False, "__k.zmap"), - PropertyGridInfo("PermeabilityLNSD", False, "__k_lnsd.zmap"), - PropertyGridInfo("Porosity", False, "__phi.zmap"), - PropertyGridInfo("Thickness", False, "__thick.zmap"), - PropertyGridInfo("ThicknessSD", False, "__thick_sd.zmap"), - PropertyGridInfo("Depth", False, "__top.zmap"), - PropertyGridInfo("NetToGross", False, "__ntg.zmap"), - PropertyGridInfo("Temperature", True, "__temperature.zmap"), - PropertyGridInfo("HCAccum", True, "__hc_accum.zmap"), - PropertyGridInfo("BoundaryShapefile", True, "__BoundaryShapefile.shp"), + PropertyGridInfo("permeability", False, "_perm.nc"), + PropertyGridInfo("permeability_lnsd", False, "_ln_perm_sd.nc"), + PropertyGridInfo("porosity", False, "_poro.nc"), + PropertyGridInfo("thickness", False, "_thick.nc"), + PropertyGridInfo("thickness_sd", False, "_thick_sd.nc"), + PropertyGridInfo("depth", False, "_top.nc"), + PropertyGridInfo("ntg", False, "_ntg.nc"), + PropertyGridInfo("temperature", True, "__temperature.nc"), + PropertyGridInfo("hc_accum", True, "__hc_accum.nc"), + PropertyGridInfo("boundary_shapefile", True, "__BoundaryShapefile.nc"), ] ) copy_aquifer_files_info: list[AquiferFile] = field( diff --git a/src/pythermogis/workflow/utc/cooling_temp.py b/src/pythermogis/workflow/utc/cooling_temp.py index cca4291..42caf4d 100644 --- a/src/pythermogis/workflow/utc/cooling_temp.py +++ b/src/pythermogis/workflow/utc/cooling_temp.py @@ -6,8 +6,8 @@ from pythermogis.workflow.utc.doublet_utils import calc_lifetime from pythermogis.workflow.utc.flow import calculate_volumetric_flow if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration def calculate_cooling_temperature( diff --git a/src/pythermogis/workflow/utc/doublet.py b/src/pythermogis/workflow/utc/doublet.py index 61ecb11..e35125d 100644 --- a/src/pythermogis/workflow/utc/doublet.py +++ b/src/pythermogis/workflow/utc/doublet.py @@ -3,6 +3,7 @@ from dataclasses import dataclass from typing import NamedTuple from pythermogis.utils.timer import print_time +from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.constants import DARCY_SI from pythermogis.workflow.utc.cooling_temp import calculate_cooling_temperature from pythermogis.workflow.utc.doublet_utils import ( @@ -10,7 +11,6 @@ from pythermogis.workflow.utc.doublet_utils import ( calculate_injection_temp_with_heat_pump, ) from pythermogis.workflow.utc.pressure import calculate_max_pressure, optimize_pressure -from pythermogis.workflow.utc.utc_properties import UTCConfiguration from pythermogis.workflow.utc.well_distance import optimize_well_distance EUR_PER_CT_PER_KWH = 0.36 diff --git a/src/pythermogis/workflow/utc/doubletcalc.py b/src/pythermogis/workflow/utc/doubletcalc.py index 78fc61f..8bf300b 100644 --- a/src/pythermogis/workflow/utc/doubletcalc.py +++ b/src/pythermogis/workflow/utc/doubletcalc.py @@ -10,8 +10,8 @@ from pythermogis.workflow.utc.rock import get_geothermal_gradient from pythermogis.workflow.utc.water import get_salinity if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration INCH_SI = 0.0254 diff --git a/src/pythermogis/workflow/utc/economics.py b/src/pythermogis/workflow/utc/economics.py index de43298..5386544 100644 --- a/src/pythermogis/workflow/utc/economics.py +++ b/src/pythermogis/workflow/utc/economics.py @@ -9,8 +9,8 @@ from numpy.typing import NDArray from pythermogis.workflow.utc.doublet_utils import get_along_hole_length if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration SECONDS_IN_YEAR = 365 * 24 * 3600 MJ_TO_GJ = 1e-3 diff --git a/src/pythermogis/workflow/utc/flow.py b/src/pythermogis/workflow/utc/flow.py index 7fc51d2..2c964d7 100644 --- a/src/pythermogis/workflow/utc/flow.py +++ b/src/pythermogis/workflow/utc/flow.py @@ -9,8 +9,8 @@ from pythermogis.workflow.utc.doubletcalc import doubletcalc from pythermogis.workflow.utc.heatpump import calculate_heat_pump_performance if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration class VolumetricFlowResults(NamedTuple): diff --git a/src/pythermogis/workflow/utc/heatpump.py b/src/pythermogis/workflow/utc/heatpump.py index b2d7a77..86bcb60 100644 --- a/src/pythermogis/workflow/utc/heatpump.py +++ b/src/pythermogis/workflow/utc/heatpump.py @@ -11,8 +11,8 @@ from pythermogis.workflow.utc.water import ( ) if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration class HeatPumpPerformanceResults(NamedTuple): diff --git a/src/pythermogis/workflow/utc/pressure.py b/src/pythermogis/workflow/utc/pressure.py index 244bab4..6c2c9e4 100644 --- a/src/pythermogis/workflow/utc/pressure.py +++ b/src/pythermogis/workflow/utc/pressure.py @@ -6,8 +6,8 @@ from pythermogis.workflow.utc.economics import calculate_economics from pythermogis.workflow.utc.flow import calculate_volumetric_flow if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration def calculate_max_pressure( diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py new file mode 100644 index 0000000..e8baa87 --- /dev/null +++ b/src/pythermogis/workflow/utc/utc.py @@ -0,0 +1,202 @@ +import time +from pathlib import Path + +import numpy as np +import xarray as xr + +from pythermogis.workflow.utc.configuration import UTCConfiguration +from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance +from pythermogis.workflow.utc.stats import lognormal_quantile, normal_quantile + +def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: + root = xr.DataTree() + base = Path(config.input_data_dir) + + for aquifer in config.aquifers: + aquifer_ds = xr.Dataset() + + for gridinfo in config.property_grid_infos: + if gridinfo.optional: + continue + + filename = f"{aquifer}{gridinfo.postfix}" + fullpath = base / filename + + if not fullpath.exists(): + raise FileNotFoundError(f"Required grid not found: {fullpath}") + + ds = xr.open_dataset(fullpath) + + varnames = [v for v in ds.data_vars if v != "oblique_stereographic"] + if len(varnames) != 1: + raise ValueError( + f"Expected exactly one property variable in" + f" {fullpath}, found {varnames}" + ) + + varname = varnames[0] + + aquifer_ds[gridinfo.name] = ds[varname] + + aquifer_ds = aquifer_ds.coarsen(x=3, y=3, boundary="trim").mean() + + root[aquifer] = xr.DataTree(dataset=aquifer_ds, name=aquifer) + + + for aquifer in root.children: + print(f"\nProcessing aquifer: {aquifer}") + + start = time.perf_counter() + + aquifer_ds = root[aquifer].to_dataset() + updated_ds = compute_results_for_aquifer(aquifer_ds, aquifer, config) + root[aquifer] = xr.DataTree(dataset=updated_ds, name=aquifer) + + end = time.perf_counter() + elapsed = end - start + + print(f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds") + + zarr_path = "../ROSL_ROSLU_test.zarr" + root.to_zarr(zarr_path, mode="w") + + return root + + +def compute_results_for_aquifer( + aquifer_ds: xr.Dataset, aquifer_name: str, config: UTCConfiguration +): + output_names = [ + "power", + "hppower", + "capex", + "var_opex", + "fixed_opex", + "opex", + "utc", + "npv", + "hprod", + "cop", + "cophp", + "pres", + "flow", + "welld", + "breakthrough", + "cooling", + "production_temp", + "injection_temp", + ] + + def cell_calculation( + unknown_input_value, + thickness, + transmissivity, + transmissivity_with_ntg, + ntg, + depth, + porosity, + temperature, + ): + inputs = [ + unknown_input_value, + thickness, + transmissivity, + transmissivity_with_ntg, + ntg, + depth, + porosity, + temperature, + ] + if any(np.isnan(v) for v in inputs): + return tuple(np.nan for _ in output_names) + + doublet_input = DoubletInput( + unknown_input_value=float(unknown_input_value), + thickness=float(thickness), + transmissivity=float(transmissivity), + transmissivity_with_ntg=float(transmissivity_with_ntg), + ntg=float(ntg), + depth=float(depth), + porosity=float(porosity), + temperature=float(temperature), + ) + + try: + result = calculate_doublet_performance(config, doublet_input) + except ValueError: + return tuple(np.nan for _ in output_names) + + return tuple(result) if result is not None else tuple(np.nan for _ in output_names) + + vectorized_calc = np.vectorize( + cell_calculation, otypes=[np.float64] * len(output_names) + ) + + # TODO: loop over pvalues and save grids with pvalue noted + # Maybe save the results as datasets iso dataarrays, and have p value be a dim? + pvalue = 50 + hydro = compute_hydro_properties(aquifer_ds, pvalue) + + transmissivity = hydro["transmissivity"] + transmissivity_with_ntg = hydro["transmissivity_with_ntg"] + + aquifer_ds["transmissivity"] = transmissivity + aquifer_ds["transmissivity_with_ntg"] = transmissivity_with_ntg + + results = xr.apply_ufunc( + vectorized_calc, + -9999, + aquifer_ds["thickness"], + transmissivity, + transmissivity_with_ntg, + aquifer_ds["ntg"], + aquifer_ds["depth"], + aquifer_ds["porosity"], + 75.0, # TODO: replace when temperature model is available + output_core_dims=[[] for _ in output_names], + vectorize=False, + dask="parallelized", + output_dtypes=[np.float64] * len(output_names), + ) + + for name, result in zip(output_names, results, strict=True): + aquifer_ds[name] = result + + print(f"Computed results for {aquifer_name}") + + return aquifer_ds + + +def compute_hydro_properties(aquifer_ds: xr.Dataset, pvalue: float) -> xr.Dataset: + logk = aquifer_ds["permeability"] + logk_sd = aquifer_ds["permeability_lnsd"] + h_mean = aquifer_ds["thickness"] + h_sd = aquifer_ds["thickness_sd"] + + permeability = lognormal_quantile(logk, logk_sd, pvalue) + permeability = xr.where(permeability < 0.01, 0.01, permeability) + + thickness = normal_quantile(h_mean, h_sd, pvalue) + thickness = xr.where(thickness < 0.01, 0.01, thickness) + + transmissivity = permeability * thickness + + transmissivity_with_ntg = transmissivity * aquifer_ds["ntg"] / 1000.0 + transmissivity_with_ntg = xr.where(transmissivity_with_ntg < 0, 0, transmissivity_with_ntg) + + return xr.Dataset( + { + "permeability": permeability, + "thickness": thickness, + "transmissivity": transmissivity, + "transmissivity_with_ntg": transmissivity_with_ntg, + } + ) + +if __name__ == "__main__": + config = UTCConfiguration( + input_data_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/InputData", + aquifers=["ROSL_ROSLU"], + segment_length=1, + ) + run_utc_workflow(config) diff --git a/src/pythermogis/workflow/utc/well_distance.py b/src/pythermogis/workflow/utc/well_distance.py index 4a58527..f84e75b 100644 --- a/src/pythermogis/workflow/utc/well_distance.py +++ b/src/pythermogis/workflow/utc/well_distance.py @@ -9,8 +9,8 @@ from pythermogis.workflow.utc.doublet_utils import calc_lifetime from pythermogis.workflow.utc.flow import calculate_volumetric_flow if TYPE_CHECKING: + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput - from pythermogis.workflow.utc.utc_properties import UTCConfiguration def optimize_well_distance_original( diff --git a/tests/utc/test_calculate_volumetric_flow.py b/tests/utc/test_calculate_volumetric_flow.py index f305972..aedbc49 100644 --- a/tests/utc/test_calculate_volumetric_flow.py +++ b/tests/utc/test_calculate_volumetric_flow.py @@ -2,7 +2,7 @@ import numpy as np from pythermogis.workflow.utc.doublet import DoubletInput from pythermogis.workflow.utc.flow import calculate_volumetric_flow -from pythermogis.workflow.utc.utc_properties import UTCConfiguration +from pythermogis.workflow.utc.configuration import UTCConfiguration def test_calculate_volumetric_flow(): diff --git a/tests/utc/test_doublet.py b/tests/utc/test_doublet.py index e42d93a..e45dd8f 100644 --- a/tests/utc/test_doublet.py +++ b/tests/utc/test_doublet.py @@ -4,7 +4,7 @@ import numpy as np from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance -from pythermogis.workflow.utc.utc_properties import UTCConfiguration +from pythermogis.workflow.utc.configuration import UTCConfiguration def test_calculate_doublet_performance_precise(): diff --git a/tests/utc/test_doubletcalc.py b/tests/utc/test_doubletcalc.py index e49d5d1..ce52c4f 100644 --- a/tests/utc/test_doubletcalc.py +++ b/tests/utc/test_doubletcalc.py @@ -5,7 +5,7 @@ import pytest from pythermogis.workflow.utc.doublet import DoubletInput from pythermogis.workflow.utc.doubletcalc import doubletcalc -from pythermogis.workflow.utc.utc_properties import UTCConfiguration +from pythermogis.workflow.utc.configuration import UTCConfiguration def test_doubletcalc(): diff --git a/tests/utc/test_properties.py b/tests/utc/test_properties.py index ab98eb1..dfee9d0 100644 --- a/tests/utc/test_properties.py +++ b/tests/utc/test_properties.py @@ -1,4 +1,4 @@ -from pythermogis.workflow.utc.utc_properties import UTCConfiguration +from pythermogis.workflow.utc.configuration import UTCConfiguration def test_utc_configuration_instantiation(): @@ -18,7 +18,7 @@ def test_utc_configuration_instantiation(): assert cfg.p_values == [10.0, 30.0, 50.0, 70.0, 90.0] assert cfg.property_grid_infos[0].name == "Permeability" assert cfg.property_grid_infos[0].optional is False - assert cfg.property_grid_infos[0].postfix.endswith(".zmap") + assert cfg.property_grid_infos[0].postfix.endswith(".nc") assert len(cfg.aquifers) > 10 assert "NMRFT" in cfg.aquifers assert cfg.petrel_output_dir is None diff --git a/tests/utc/test_well_distance_optimizer.py b/tests/utc/test_well_distance_optimizer.py index 0040122..64ab18e 100644 --- a/tests/utc/test_well_distance_optimizer.py +++ b/tests/utc/test_well_distance_optimizer.py @@ -1,7 +1,7 @@ import numpy as np from pythermogis.workflow.utc.doublet import DoubletInput -from pythermogis.workflow.utc.utc_properties import UTCConfiguration +from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.well_distance import ( optimize_well_distance, optimize_well_distance_original, diff --git a/tests/utc/utc_test_input/simplified_ln_perm_sd.nc b/tests/utc/utc_test_input/simplified_ln_perm_sd.nc new file mode 100644 index 0000000000000000000000000000000000000000..8464b70fa89ed91c4cb3c02743bb37eebe245921 GIT binary patch literal 8674 zcmaFAf3Js&8!wj>FBcOB2LlYe-@g|ts!)KaFn~}Da7C8>9xg#lJn#4KWl{pmF|&dx z280s0TJjjYTucm%ATtF7K%@a1h-6^Mg-{G^Dj)_U3loT9U|;Y25=BE zFeos9JO_?21_qF;L3+WMM;pXvW?*CB0I7BMaSRS-5N2Rt0L3dPyj(neUHyVR{r%#D 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src/pythermogis/workflow/utc/stats.py create mode 100644 tests/utc/test_rosl_roslu.py diff --git a/src/pythermogis/workflow/utc/configuration.py b/src/pythermogis/workflow/utc/configuration.py index 04a2cc5..5080191 100644 --- a/src/pythermogis/workflow/utc/configuration.py +++ b/src/pythermogis/workflow/utc/configuration.py @@ -62,15 +62,15 @@ class UTCConfiguration: ) property_grid_infos: list[PropertyGridInfo] = field( default_factory=lambda: [ - PropertyGridInfo("permeability", False, "_perm.nc"), - PropertyGridInfo("permeability_lnsd", False, "_ln_perm_sd.nc"), - PropertyGridInfo("porosity", False, "_poro.nc"), - PropertyGridInfo("thickness", False, "_thick.nc"), - PropertyGridInfo("thickness_sd", False, "_thick_sd.nc"), - PropertyGridInfo("depth", False, "_top.nc"), - PropertyGridInfo("ntg", False, "_ntg.nc"), + PropertyGridInfo("permeability", False, "__k.nc"), + PropertyGridInfo("permeability_lnsd", False, "__k_ln_sd.nc"), + PropertyGridInfo("porosity", False, "__phi.nc"), + PropertyGridInfo("thickness", False, "__thick.nc"), + PropertyGridInfo("thickness_sd", False, "__thick_sd.nc"), + PropertyGridInfo("depth", False, "__top.nc"), + PropertyGridInfo("ntg", False, "__ntg.nc"), PropertyGridInfo("temperature", True, "__temperature.nc"), - PropertyGridInfo("hc_accum", True, "__hc_accum.nc"), + PropertyGridInfo("hc_accum", False, "__hc_accum.nc"), PropertyGridInfo("boundary_shapefile", True, "__BoundaryShapefile.nc"), ] ) @@ -82,14 +82,14 @@ class UTCConfiguration: AquiferFile("__points_QC.shp", "__points_QC.shp"), ] ) - scenario: str = "basecase" + scenario: str = "BaseCase" scen_suffix: str = "" temp_from_grid: bool = False exclude_hc_accum: bool = True use_bounding_shape: bool = False grid_ext: str = ".nc" p_values: list[float] = field( - default_factory=lambda: [10.0, 30.0, 50.0, 70.0, 90.0] + default_factory=lambda: [10.0, 30.0, 50.0, 90.0] ) # temp_voxet: 'Voxet' = None surface_temperature: float = 10.0 @@ -119,13 +119,13 @@ class UTCConfiguration: max_cooling_temp_range: float = 100.0 hp_minimum_injection_temperature: float = 15.0 ates_charge_temp: float = 80.0 - econ_lifetime_years: int = 15 + econ_lifetime_years: int = 30 ates_min_flow: float = 0.0 hp_include_elect_heat_in_power: bool = False set_all_values_to_final_rosim_year: bool = False max_flow: float = 500.0 charge_temp: float = 80.0 - anisotropy: float = 5.0 + anisotropy: float = 3.0 filter_fraction: float = 0.8 salinity_surface: float = 0.0 salinity_gradient: float = 46.67 @@ -160,19 +160,19 @@ class UTCConfiguration: stim_add_skin_prod: float = -3.0 stimulation_capex: float = 0.5 hp_calc_cop: bool = True - imposed_cop: float = 3.0 - hp_capex: float = 600.0 - hp_opex: float = 60.0 + imposed_cop: float = 4.0 + hp_capex: float = 200.0 + hp_opex: float = 10.0 hp_alternative_heating_price: float = 2.8 viscosity_mode: ViscosityMode = "batzlewang" # Economical data - economic_lifetime: int = 15 + economic_lifetime: int = 30 drilling_time: int = 2 tax_rate: float = 0.25 interest_loan: float = 0.05 - inflation: float = 0.02 - equity_return: float = 0.07 + inflation: float = 0.015 + equity_return: float = 0.145 debt_equity: float = 0.8 ecn_eia: float = 0.0 tolerance_utc_increase: float = 0.0 @@ -182,7 +182,7 @@ class UTCConfiguration: elec_purchase_price: float = 8.0 opex_per_energy: float = 0.19 opex_per_capex: float = 0.0 - well_cost_scaling: float = 1.5 + well_cost_scaling: float = 1.3 well_cost_const: float = 0.25 well_cost_z: float = 700.0 well_cost_z2: float = 0.2 diff --git a/src/pythermogis/workflow/utc/stats.py b/src/pythermogis/workflow/utc/stats.py new file mode 100644 index 0000000..46896c6 --- /dev/null +++ b/src/pythermogis/workflow/utc/stats.py @@ -0,0 +1,10 @@ +from scipy.stats import norm +import numpy as np + +def lognormal_quantile(mean, sd, p): + z = norm.ppf(1 - p / 100) + return mean * np.exp(sd * z) + +def normal_quantile(mean, sd, p): + z = norm.ppf(1 - p / 100) + return mean + sd * z \ No newline at end of file diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index e8baa87..77b9007 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -8,10 +8,12 @@ from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance from pythermogis.workflow.utc.stats import lognormal_quantile, normal_quantile -def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: +def run_utc_workflow(config: UTCConfiguration, coarsen_dataset_by: int | None = None ) -> xr.DataTree: root = xr.DataTree() base = Path(config.input_data_dir) + temperature_model = xr.open_dataset(base / "NetherlandsTemperatureModel_extended.nc") + for aquifer in config.aquifers: aquifer_ds = xr.Dataset() @@ -38,7 +40,8 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: aquifer_ds[gridinfo.name] = ds[varname] - aquifer_ds = aquifer_ds.coarsen(x=3, y=3, boundary="trim").mean() + if coarsen_dataset_by is not None: + aquifer_ds = aquifer_ds.coarsen(x=coarsen_dataset_by, y=coarsen_dataset_by, boundary="trim").mean() root[aquifer] = xr.DataTree(dataset=aquifer_ds, name=aquifer) @@ -49,7 +52,7 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: start = time.perf_counter() aquifer_ds = root[aquifer].to_dataset() - updated_ds = compute_results_for_aquifer(aquifer_ds, aquifer, config) + updated_ds = compute_results_for_aquifer(aquifer_ds, aquifer, config, temperature_model) root[aquifer] = xr.DataTree(dataset=updated_ds, name=aquifer) end = time.perf_counter() @@ -57,14 +60,15 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: print(f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds") - zarr_path = "../ROSL_ROSLU_test.zarr" - root.to_zarr(zarr_path, mode="w") + if config.results_dir != "": + zarr_path = f"{config.results_dir}/ROSL_ROSLU_test.zarr" + root.to_zarr(zarr_path, mode="w") return root def compute_results_for_aquifer( - aquifer_ds: xr.Dataset, aquifer_name: str, config: UTCConfiguration + aquifer_ds: xr.Dataset, aquifer_name: str, config: UTCConfiguration, temperature_model: xr.Dataset ): output_names = [ "power", @@ -133,16 +137,46 @@ def compute_results_for_aquifer( ) # TODO: loop over pvalues and save grids with pvalue noted - # Maybe save the results as datasets iso dataarrays, and have p value be a dim? + # TODO: Maybe save the results as datasets iso dataarrays, and have p value be a dim? + + # calc transmissivity(_with_ntg) pvalue = 50 hydro = compute_hydro_properties(aquifer_ds, pvalue) - transmissivity = hydro["transmissivity"] transmissivity_with_ntg = hydro["transmissivity_with_ntg"] - aquifer_ds["transmissivity"] = transmissivity aquifer_ds["transmissivity_with_ntg"] = transmissivity_with_ntg + # calc temperature grid + mid_depth = -(aquifer_ds["depth"] + 0.5 * aquifer_ds["thickness"]) + temp_xy_aligned = temperature_model["temperature"].interp( + x=aquifer_ds.x, + y=aquifer_ds.y, + method="linear" + ) + temperature = temp_xy_aligned.interp( + z=mid_depth, + method="linear" + ) + + # use hc_accum mask + hc_mask = aquifer_ds["hc_accum"] != 0 + + vars_to_mask = [ + "thickness", + "ntg", + "depth", + "porosity", + "transmissivity", + "transmissivity_with_ntg", + ] + + for v in vars_to_mask: + aquifer_ds[v] = aquifer_ds[v].where(hc_mask) + + + aquifer_ds["temperature"] = temperature + results = xr.apply_ufunc( vectorized_calc, -9999, @@ -152,7 +186,7 @@ def compute_results_for_aquifer( aquifer_ds["ntg"], aquifer_ds["depth"], aquifer_ds["porosity"], - 75.0, # TODO: replace when temperature model is available + temperature, output_core_dims=[[] for _ in output_names], vectorize=False, dask="parallelized", @@ -196,7 +230,8 @@ def compute_hydro_properties(aquifer_ds: xr.Dataset, pvalue: float) -> xr.Datase if __name__ == "__main__": config = UTCConfiguration( input_data_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/InputData", + results_dir=".", aquifers=["ROSL_ROSLU"], segment_length=1, ) - run_utc_workflow(config) + run_utc_workflow(config, 2) diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py new file mode 100644 index 0000000..61ad57f --- /dev/null +++ b/tests/utc/test_rosl_roslu.py @@ -0,0 +1,18 @@ +from pythermogis.workflow.utc.configuration import UTCConfiguration +from pythermogis.workflow.utc.utc import run_utc_workflow + +def test_rosl_roslu(): + """ + Integration test that runs the whole ROSL_ROSLU aquifer. + The input is identical to the java 2.5.3 input. + The output is compared to the java output. + """ + config = UTCConfiguration( + input_data_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/input", + results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLUoutput", + aquifers=["ROSL_ROSLU"], + segment_length=1, + ) + result = run_utc_workflow(config) + + print(result) \ No newline at end of file -- GitLab From 714d6c4221b26b2e15c62bb83a9c6934ddfd2ef5 Mon Sep 17 00:00:00 2001 From: jjflorian Date: Fri, 12 Dec 2025 16:11:46 +0100 Subject: [PATCH 03/27] use hens transmissivity calc --- .../calculate_thick_perm_trans.py | 52 ++++++++++++++++- src/pythermogis/workflow/utc/utc.py | 54 +++++++++++------- .../utc_test_input/simplified_ln_perm_sd.nc | Bin 8674 -> 0 bytes tests/utc/utc_test_input/simplified_ntg.nc | Bin 8682 -> 0 bytes tests/utc/utc_test_input/simplified_perm.nc | Bin 8312 -> 0 bytes tests/utc/utc_test_input/simplified_poro.nc | Bin 8656 -> 0 bytes tests/utc/utc_test_input/simplified_thick.nc | Bin 8667 -> 0 bytes .../utc/utc_test_input/simplified_thick_sd.nc | Bin 8654 -> 0 bytes tests/utc/utc_test_input/simplified_top.nc | Bin 8674 -> 0 bytes 9 files changed, 84 insertions(+), 22 deletions(-) delete mode 100644 tests/utc/utc_test_input/simplified_ln_perm_sd.nc delete mode 100644 tests/utc/utc_test_input/simplified_ntg.nc delete mode 100644 tests/utc/utc_test_input/simplified_perm.nc delete mode 100644 tests/utc/utc_test_input/simplified_poro.nc delete mode 100644 tests/utc/utc_test_input/simplified_thick.nc delete mode 100644 tests/utc/utc_test_input/simplified_thick_sd.nc delete mode 100644 tests/utc/utc_test_input/simplified_top.nc diff --git a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py index aa485e7..80d3ab7 100644 --- a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py +++ b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py @@ -52,4 +52,54 @@ def generate_thickness_permeability_transmissivity_for_pvalues(thickness_mean: f sample_indexes = np.array(p_value_fractions * nSamples) transmissivity_pvalues_sampled = transmissivity_samples[sample_indexes.astype(int)] - return thickness_pvalues, permeability_pvalues, transmissivity_pvalues_sampled \ No newline at end of file + return thickness_pvalues, permeability_pvalues, transmissivity_pvalues_sampled + +def _tpkt_kernel( + thickness_mean, + thickness_sd, + ln_perm_mean, + ln_perm_sd, + p_values, + n_samples, +): + if ( + np.isnan(thickness_mean) + or np.isnan(thickness_sd) + or np.isnan(ln_perm_mean) + or np.isnan(ln_perm_sd) + ): + n = len(p_values) + return ( + np.full(n, np.nan), + np.full(n, np.nan), + np.full(n, np.nan), + ) + + p = np.asarray(p_values) + q = 1.0 - p / 100.0 + + # P50 analytic shortcut + if p.size == 1 and p[0] == 50: + t = thickness_mean + k = np.exp(ln_perm_mean) + return np.array([t]), np.array([k]), np.array([t * k]) + + # Thickness + if thickness_sd == 0: + thickness_p = np.full(p.size, thickness_mean) + thickness_samples = np.full(n_samples, thickness_mean) + else: + t_dist = stats.norm(thickness_mean, thickness_sd) + thickness_p = t_dist.ppf(q) + thickness_samples = np.clip(t_dist.rvs(n_samples), 0.01, None) + + # Permeability + k_dist = stats.norm(ln_perm_mean, ln_perm_sd) + permeability_p = np.exp(k_dist.ppf(q)) + + # Transmissivity via sampling + tr_samples = np.sort(np.exp(k_dist.rvs(n_samples) + np.log(thickness_samples))) + idx = (q * n_samples).astype(int) + transmissivity_p = tr_samples[idx] + + return thickness_p, permeability_p, transmissivity_p \ No newline at end of file diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 77b9007..5757f9c 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -6,7 +6,7 @@ import xarray as xr from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance -from pythermogis.workflow.utc.stats import lognormal_quantile, normal_quantile +from pythermogis.transmissivity.calculate_thick_perm_trans import _tpkt_kernel def run_utc_workflow(config: UTCConfiguration, coarsen_dataset_by: int | None = None ) -> xr.DataTree: root = xr.DataTree() @@ -140,8 +140,8 @@ def compute_results_for_aquifer( # TODO: Maybe save the results as datasets iso dataarrays, and have p value be a dim? # calc transmissivity(_with_ntg) - pvalue = 50 - hydro = compute_hydro_properties(aquifer_ds, pvalue) + p_values = xr.DataArray([50], dims="p") + hydro = compute_hydro_properties_mc(aquifer_ds, p_values) transmissivity = hydro["transmissivity"] transmissivity_with_ntg = hydro["transmissivity_with_ntg"] aquifer_ds["transmissivity"] = transmissivity @@ -201,28 +201,40 @@ def compute_results_for_aquifer( return aquifer_ds -def compute_hydro_properties(aquifer_ds: xr.Dataset, pvalue: float) -> xr.Dataset: - logk = aquifer_ds["permeability"] - logk_sd = aquifer_ds["permeability_lnsd"] - h_mean = aquifer_ds["thickness"] - h_sd = aquifer_ds["thickness_sd"] - - permeability = lognormal_quantile(logk, logk_sd, pvalue) - permeability = xr.where(permeability < 0.01, 0.01, permeability) - - thickness = normal_quantile(h_mean, h_sd, pvalue) - thickness = xr.where(thickness < 0.01, 0.01, thickness) - - transmissivity = permeability * thickness +def compute_hydro_properties_mc( + aquifer_ds: xr.Dataset, + p_values: xr.DataArray, + n_samples: int = 10_000, +) -> xr.Dataset: + + thickness_mean = aquifer_ds["thickness"] + thickness_sd = aquifer_ds["thickness_sd"] + ln_perm_mean = np.log(aquifer_ds["permeability"]) + ln_perm_sd = aquifer_ds["permeability_lnsd"] + + thickness_p, permeability_p, transmissivity_p = xr.apply_ufunc( + _tpkt_kernel, + thickness_mean, + thickness_sd, + ln_perm_mean, + ln_perm_sd, + p_values, + n_samples, + input_core_dims=[[], [], [], [], ["p"], []], + output_core_dims=[["p"], ["p"], ["p"]], + vectorize=True, + dask="parallelized", + output_dtypes=[np.float64, np.float64, np.float64], + ) - transmissivity_with_ntg = transmissivity * aquifer_ds["ntg"] / 1000.0 - transmissivity_with_ntg = xr.where(transmissivity_with_ntg < 0, 0, transmissivity_with_ntg) + transmissivity_with_ntg = transmissivity_p * 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results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", aquifers=["ROSL_ROSLU"], segment_length=1, ) -- GitLab From 69fd872212db3a9b13c6c6bc40d59c37a6992d0c Mon Sep 17 00:00:00 2001 From: jjflorian Date: Tue, 16 Dec 2025 11:12:14 +0100 Subject: [PATCH 05/27] getting there --- .../calculate_thick_perm_trans.py | 6 -- src/pythermogis/workflow/utc/utc.py | 59 ++++++++++++------- tests/utc/test_doublet.py | 23 ++++++++ tests/utc/test_rosl_roslu.py | 5 ++ 4 files changed, 67 insertions(+), 26 deletions(-) diff --git a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py index 80d3ab7..99ca18f 100644 --- a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py +++ b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py @@ -78,12 +78,6 @@ def _tpkt_kernel( p = np.asarray(p_values) q = 1.0 - p / 100.0 - # P50 analytic shortcut - if p.size == 1 and p[0] == 50: - t = thickness_mean - k = np.exp(ln_perm_mean) - return np.array([t]), np.array([k]), np.array([t * k]) - # Thickness if thickness_sd == 0: thickness_p = np.full(p.size, thickness_mean) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 5757f9c..3223d5f 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -13,6 +13,11 @@ def run_utc_workflow(config: UTCConfiguration, coarsen_dataset_by: int | None = base = Path(config.input_data_dir) temperature_model = xr.open_dataset(base / "NetherlandsTemperatureModel_extended.nc") + temperature_model = temperature_model.transpose("y", "x", "z") + + if coarsen_dataset_by is not None: + temperature_model = temperature_model.coarsen(x=coarsen_dataset_by, y=coarsen_dataset_by, boundary="trim").mean() + for aquifer in config.aquifers: aquifer_ds = xr.Dataset() @@ -92,6 +97,8 @@ def compute_results_for_aquifer( ] def cell_calculation( + x, + y, unknown_input_value, thickness, transmissivity, @@ -114,6 +121,9 @@ def compute_results_for_aquifer( if any(np.isnan(v) for v in inputs): return tuple(np.nan for _ in output_names) + if transmissivity_with_ntg < config.kh_cutoff: + return tuple(0 for _ in output_names) + doublet_input = DoubletInput( unknown_input_value=float(unknown_input_value), thickness=float(thickness), @@ -121,15 +131,31 @@ def compute_results_for_aquifer( transmissivity_with_ntg=float(transmissivity_with_ntg), ntg=float(ntg), depth=float(depth), - porosity=float(porosity), + porosity=float(porosity / 100), temperature=float(temperature), ) try: result = calculate_doublet_performance(config, doublet_input) except ValueError: + print( + f"Failure at x={x:.1f}, y={y:.1f} | " + f"thick={thickness:.3f}, temp={temperature:.2f}, " + f"trans={transmissivity:.3f}, trans_ntg={transmissivity_with_ntg:.3e}" + f"ntg={ntg}, depth={depth:.3f}, porosity={porosity:.3f}" + ) return tuple(np.nan for _ in output_names) + if result.utc > 4000: + print( + f"Hmmmmm at x={x:.1f}, y={y:.1f} | " + f"thick={thickness:.3f}, temp={temperature:.2f}, " + f"trans={transmissivity:.3f}, trans_ntg={transmissivity_with_ntg:.3e}, " + f"ntg={ntg}, depth={depth:.3f}, porosity={porosity:.3f}, " + f"utc:{result.utc}" + ) + + return tuple(result) if result is not None else tuple(np.nan for _ in output_names) vectorized_calc = np.vectorize( @@ -142,8 +168,8 @@ def compute_results_for_aquifer( # calc transmissivity(_with_ntg) p_values = xr.DataArray([50], dims="p") hydro = compute_hydro_properties_mc(aquifer_ds, p_values) - transmissivity = hydro["transmissivity"] - transmissivity_with_ntg = hydro["transmissivity_with_ntg"] + transmissivity = hydro["transmissivity"].squeeze("p", drop=True) + transmissivity_with_ntg = hydro["transmissivity_with_ntg"].squeeze("p", drop=True) aquifer_ds["transmissivity"] = transmissivity aquifer_ds["transmissivity_with_ntg"] = transmissivity_with_ntg @@ -159,9 +185,11 @@ def compute_results_for_aquifer( method="linear" ) + aquifer_ds["temperature"] = temperature + y_coord, x_coord = xr.broadcast(aquifer_ds["y"], aquifer_ds["x"]) + # use hc_accum mask hc_mask = aquifer_ds["hc_accum"] != 0 - vars_to_mask = [ "thickness", "ntg", @@ -169,24 +197,23 @@ def compute_results_for_aquifer( "porosity", "transmissivity", "transmissivity_with_ntg", + "temperature", ] - for v in vars_to_mask: aquifer_ds[v] = aquifer_ds[v].where(hc_mask) - - aquifer_ds["temperature"] = temperature - results = xr.apply_ufunc( vectorized_calc, - -9999, + x_coord, + y_coord, + 1.0E30, aquifer_ds["thickness"], - transmissivity, - transmissivity_with_ntg, + aquifer_ds["transmissivity"], + aquifer_ds["transmissivity_with_ntg"], aquifer_ds["ntg"], aquifer_ds["depth"], aquifer_ds["porosity"], - temperature, + aquifer_ds["temperature"], output_core_dims=[[] for _ in output_names], vectorize=False, dask="parallelized", @@ -239,11 +266,3 @@ def compute_hydro_properties_mc( } ) -if __name__ == "__main__": - config = UTCConfiguration( - input_data_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/InputData", - results_dir=".", - aquifers=["ROSL_ROSLU"], - segment_length=1, - ) - run_utc_workflow(config, 2) diff --git a/tests/utc/test_doublet.py b/tests/utc/test_doublet.py index e45dd8f..bb11069 100644 --- a/tests/utc/test_doublet.py +++ b/tests/utc/test_doublet.py @@ -140,3 +140,26 @@ def test_calculate_doublet_performance(): f"{n_sims} simulations took: {time_elapsed:.1f} seconds\n" f"{n_sims/time_elapsed:.1f} simulations per second" ) + + +def test_why_does_this_fail(): + props = UTCConfiguration( + segment_length=1, + dh_return_temp=40 + ) + + # Create a minimal valid DoubletInput + input_data = DoubletInput( + unknown_input_value=-9999, + thickness=5.259, + transmissivity=1239.250, + transmissivity_with_ntg=1.032, + ntg=0.8331, + depth=852.969, + porosity=0.22168, + temperature=39.30, + ) + + # Act + results = calculate_doublet_performance(props, input_data) + print(results) diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py index 40c4351..13584f2 100644 --- a/tests/utc/test_rosl_roslu.py +++ b/tests/utc/test_rosl_roslu.py @@ -1,3 +1,5 @@ +import matplotlib.pyplot as plt + from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.utc import run_utc_workflow @@ -15,4 +17,7 @@ def test_rosl_roslu(): ) result = run_utc_workflow(config) + result.ROSL_ROSLU.utc.plot() + plt.show() + print(result) \ No newline at end of file -- GitLab From ca2f5e930b5331833817c1b9bd5102f05b67d9d6 Mon Sep 17 00:00:00 2001 From: jjflorian Date: Tue, 16 Dec 2025 14:01:13 +0100 Subject: [PATCH 06/27] filter out skyrocketing utc values --- src/pythermogis/workflow/utc/utc.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 3223d5f..037b0e3 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -146,7 +146,7 @@ def compute_results_for_aquifer( ) return tuple(np.nan for _ in output_names) - if result.utc > 4000: + if result.utc > 1000: print( f"Hmmmmm at x={x:.1f}, y={y:.1f} | " f"thick={thickness:.3f}, temp={temperature:.2f}, " @@ -154,6 +154,7 @@ def compute_results_for_aquifer( f"ntg={ntg}, depth={depth:.3f}, porosity={porosity:.3f}, " f"utc:{result.utc}" ) + result.utc = 1000 return tuple(result) if result is not None else tuple(np.nan for _ in output_names) -- GitLab From ac46c25ca22d87f85026b3b6a668459d6a044469 Mon Sep 17 00:00:00 2001 From: jjflorian Date: Tue, 16 Dec 2025 14:28:09 +0100 Subject: [PATCH 07/27] add print cell/s --- src/pythermogis/workflow/utc/utc.py | 25 +++++++++++++++++++++---- 1 file changed, 21 insertions(+), 4 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 037b0e3..afb01ff 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -57,13 +57,16 @@ def run_utc_workflow(config: UTCConfiguration, coarsen_dataset_by: int | None = start = time.perf_counter() aquifer_ds = root[aquifer].to_dataset() - updated_ds = compute_results_for_aquifer(aquifer_ds, aquifer, config, temperature_model) + updated_ds, n_cells = compute_results_for_aquifer(aquifer_ds, aquifer, config, temperature_model) root[aquifer] = xr.DataTree(dataset=updated_ds, name=aquifer) end = time.perf_counter() elapsed = end - start - print(f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds") + cells_per_sec = n_cells / elapsed + + + print(f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds. {cells_per_sec} cells per second") if config.results_dir != "": zarr_path = f"{config.results_dir}/ROSL_ROSLU_test.zarr" @@ -154,7 +157,7 @@ def compute_results_for_aquifer( f"ntg={ntg}, depth={depth:.3f}, porosity={porosity:.3f}, " f"utc:{result.utc}" ) - result.utc = 1000 + result = result._replace(utc=1000) return tuple(result) if result is not None else tuple(np.nan for _ in output_names) @@ -189,6 +192,20 @@ def compute_results_for_aquifer( aquifer_ds["temperature"] = temperature y_coord, x_coord = xr.broadcast(aquifer_ds["y"], aquifer_ds["x"]) + + valid_mask = ( + aquifer_ds["thickness"].notnull() + & aquifer_ds["transmissivity"].notnull() + & aquifer_ds["transmissivity_with_ntg"].notnull() + & aquifer_ds["ntg"].notnull() + & aquifer_ds["depth"].notnull() + & aquifer_ds["porosity"].notnull() + & aquifer_ds["temperature"].notnull() + & (aquifer_ds["transmissivity_with_ntg"] >= config.kh_cutoff) + ) + + n_cells = int(valid_mask.sum().compute()) + # use hc_accum mask hc_mask = aquifer_ds["hc_accum"] != 0 vars_to_mask = [ @@ -226,7 +243,7 @@ def compute_results_for_aquifer( print(f"Computed results for {aquifer_name}") - return aquifer_ds + return aquifer_ds, n_cells def compute_hydro_properties_mc( -- GitLab From 2416ad30a05b986a98936725a042ab0d4f4a1332 Mon Sep 17 00:00:00 2001 From: jjflorian Date: Tue, 16 Dec 2025 15:03:41 +0100 Subject: [PATCH 08/27] rm weird vectorize method --- src/pythermogis/workflow/utc/utc.py | 11 ++++------- 1 file changed, 4 insertions(+), 7 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index afb01ff..e9e65bf 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -162,10 +162,6 @@ def compute_results_for_aquifer( return tuple(result) if result is not None else tuple(np.nan for _ in output_names) - vectorized_calc = np.vectorize( - cell_calculation, otypes=[np.float64] * len(output_names) - ) - # TODO: loop over pvalues and save grids with pvalue noted # TODO: Maybe save the results as datasets iso dataarrays, and have p value be a dim? @@ -221,10 +217,10 @@ def compute_results_for_aquifer( aquifer_ds[v] = aquifer_ds[v].where(hc_mask) results = xr.apply_ufunc( - vectorized_calc, + cell_calculation, x_coord, y_coord, - 1.0E30, + 1.0e30, aquifer_ds["thickness"], aquifer_ds["transmissivity"], aquifer_ds["transmissivity_with_ntg"], @@ -232,8 +228,9 @@ def compute_results_for_aquifer( aquifer_ds["depth"], aquifer_ds["porosity"], aquifer_ds["temperature"], + input_core_dims=[[]] * 10, output_core_dims=[[] for _ in output_names], - vectorize=False, + vectorize=True, dask="parallelized", output_dtypes=[np.float64] * len(output_names), ) -- GitLab From b93723a10aada45e9acd71dd665a4ae048dc91d3 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Tue, 16 Dec 2025 15:06:53 +0100 Subject: [PATCH 09/27] git name test --- src/pythermogis/workflow/utc/utc.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index e9e65bf..e7747a2 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -202,7 +202,7 @@ def compute_results_for_aquifer( n_cells = int(valid_mask.sum().compute()) - # use hc_accum mask + # use hc_accum mask.. hc_mask = aquifer_ds["hc_accum"] != 0 vars_to_mask = [ "thickness", -- GitLab From e7b744c4aaae15584e2ed89dd2bda5547512b91a Mon Sep 17 00:00:00 2001 From: knappersfy Date: Tue, 16 Dec 2025 15:47:19 +0100 Subject: [PATCH 10/27] remove coarsen dataset --- src/pythermogis/workflow/utc/utc.py | 29 +++-------------------------- 1 file changed, 3 insertions(+), 26 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index e7747a2..e132f2a 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -8,15 +8,14 @@ from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance from pythermogis.transmissivity.calculate_thick_perm_trans import _tpkt_kernel -def run_utc_workflow(config: UTCConfiguration, coarsen_dataset_by: int | None = None ) -> xr.DataTree: +def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: root = xr.DataTree() base = Path(config.input_data_dir) temperature_model = xr.open_dataset(base / "NetherlandsTemperatureModel_extended.nc") temperature_model = temperature_model.transpose("y", "x", "z") - if coarsen_dataset_by is not None: - temperature_model = temperature_model.coarsen(x=coarsen_dataset_by, y=coarsen_dataset_by, boundary="trim").mean() + chunk_size = {'x': 200, 'y': 200} for aquifer in config.aquifers: @@ -45,9 +44,6 @@ def run_utc_workflow(config: UTCConfiguration, coarsen_dataset_by: int | None = aquifer_ds[gridinfo.name] = ds[varname] - if coarsen_dataset_by is not None: - aquifer_ds = aquifer_ds.coarsen(x=coarsen_dataset_by, y=coarsen_dataset_by, boundary="trim").mean() - root[aquifer] = xr.DataTree(dataset=aquifer_ds, name=aquifer) @@ -100,8 +96,6 @@ def compute_results_for_aquifer( ] def cell_calculation( - x, - y, unknown_input_value, thickness, transmissivity, @@ -141,22 +135,9 @@ def compute_results_for_aquifer( try: result = calculate_doublet_performance(config, doublet_input) except ValueError: - print( - f"Failure at x={x:.1f}, y={y:.1f} | " - f"thick={thickness:.3f}, temp={temperature:.2f}, " - f"trans={transmissivity:.3f}, trans_ntg={transmissivity_with_ntg:.3e}" - f"ntg={ntg}, depth={depth:.3f}, porosity={porosity:.3f}" - ) return tuple(np.nan for _ in output_names) if result.utc > 1000: - print( - f"Hmmmmm at x={x:.1f}, y={y:.1f} | " - f"thick={thickness:.3f}, temp={temperature:.2f}, " - f"trans={transmissivity:.3f}, trans_ntg={transmissivity_with_ntg:.3e}, " - f"ntg={ntg}, depth={depth:.3f}, porosity={porosity:.3f}, " - f"utc:{result.utc}" - ) result = result._replace(utc=1000) @@ -186,8 +167,6 @@ def compute_results_for_aquifer( ) aquifer_ds["temperature"] = temperature - y_coord, x_coord = xr.broadcast(aquifer_ds["y"], aquifer_ds["x"]) - valid_mask = ( aquifer_ds["thickness"].notnull() @@ -218,8 +197,6 @@ def compute_results_for_aquifer( results = xr.apply_ufunc( cell_calculation, - x_coord, - y_coord, 1.0e30, aquifer_ds["thickness"], aquifer_ds["transmissivity"], @@ -228,7 +205,7 @@ def compute_results_for_aquifer( aquifer_ds["depth"], aquifer_ds["porosity"], aquifer_ds["temperature"], - input_core_dims=[[]] * 10, + input_core_dims=[[]] * 8, output_core_dims=[[] for _ in output_names], vectorize=True, dask="parallelized", -- GitLab From 9c6c9adc9dfc1900096decfb00c02bd73ccd3499 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 11:21:55 +0100 Subject: [PATCH 11/27] detail --- src/pythermogis/workflow/utc/utc.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index e132f2a..913cd3e 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -12,10 +12,7 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: root = xr.DataTree() base = Path(config.input_data_dir) - temperature_model = xr.open_dataset(base / "NetherlandsTemperatureModel_extended.nc") - temperature_model = temperature_model.transpose("y", "x", "z") - - chunk_size = {'x': 200, 'y': 200} + temperature_model = xr.open_dataset(base / "NetherlandsTemperatureModel_extended.nc").transpose("y", "x", "z") for aquifer in config.aquifers: @@ -215,6 +212,8 @@ def compute_results_for_aquifer( for name, result in zip(output_names, results, strict=True): aquifer_ds[name] = result + aquifer_ds.compute() + print(f"Computed results for {aquifer_name}") return aquifer_ds, n_cells -- GitLab From af9f5fa5879923b8d890b5dcca9deb9ba06859f4 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 13:26:38 +0100 Subject: [PATCH 12/27] remove p dim from trans calc --- .../calculate_thick_perm_trans.py | 18 ++++++------------ src/pythermogis/workflow/utc/utc.py | 15 +++++++-------- 2 files changed, 13 insertions(+), 20 deletions(-) diff --git a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py index 99ca18f..b28f64a 100644 --- a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py +++ b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py @@ -59,8 +59,8 @@ def _tpkt_kernel( thickness_sd, ln_perm_mean, ln_perm_sd, - p_values, - n_samples, + p_value, + n_samples=10_000, ): if ( np.isnan(thickness_mean) @@ -68,19 +68,13 @@ def _tpkt_kernel( or np.isnan(ln_perm_mean) or np.isnan(ln_perm_sd) ): - n = len(p_values) - return ( - np.full(n, np.nan), - np.full(n, np.nan), - np.full(n, np.nan), - ) + return np.nan, np.nan, np.nan - p = np.asarray(p_values) - q = 1.0 - p / 100.0 + q = 1.0 - p_value / 100.0 # Thickness if thickness_sd == 0: - thickness_p = np.full(p.size, thickness_mean) + thickness_p = thickness_mean thickness_samples = np.full(n_samples, thickness_mean) else: t_dist = stats.norm(thickness_mean, thickness_sd) @@ -93,7 +87,7 @@ def _tpkt_kernel( # Transmissivity via sampling tr_samples = np.sort(np.exp(k_dist.rvs(n_samples) + np.log(thickness_samples))) - idx = (q * n_samples).astype(int) + idx = int(q * n_samples) transmissivity_p = tr_samples[idx] return thickness_p, permeability_p, transmissivity_p \ No newline at end of file diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 913cd3e..4742f92 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -144,10 +144,9 @@ def compute_results_for_aquifer( # TODO: Maybe save the results as datasets iso dataarrays, and have p value be a dim? # calc transmissivity(_with_ntg) - p_values = xr.DataArray([50], dims="p") - hydro = compute_hydro_properties_mc(aquifer_ds, p_values) - transmissivity = hydro["transmissivity"].squeeze("p", drop=True) - transmissivity_with_ntg = hydro["transmissivity_with_ntg"].squeeze("p", drop=True) + hydro = compute_hydro_properties_mc(aquifer_ds, 90) + transmissivity = hydro["transmissivity"] + transmissivity_with_ntg = hydro["transmissivity_with_ntg"] aquifer_ds["transmissivity"] = transmissivity aquifer_ds["transmissivity_with_ntg"] = transmissivity_with_ntg @@ -221,7 +220,7 @@ def compute_results_for_aquifer( def compute_hydro_properties_mc( aquifer_ds: xr.Dataset, - p_values: xr.DataArray, + p_value: float, n_samples: int = 10_000, ) -> xr.Dataset: @@ -236,10 +235,10 @@ def compute_hydro_properties_mc( thickness_sd, ln_perm_mean, ln_perm_sd, - p_values, + p_value, n_samples, - input_core_dims=[[], [], [], [], ["p"], []], - output_core_dims=[["p"], ["p"], ["p"]], + input_core_dims=[[], [], [], [], [], []], + output_core_dims=[[], [], []], vectorize=True, dask="parallelized", output_dtypes=[np.float64, np.float64, np.float64], -- GitLab From a7e46c4f670ebf67521bbc27e3d5b725a0033fbe Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 13:33:15 +0100 Subject: [PATCH 13/27] ptit ruffje --- src/pythermogis/workflow/utc/configuration.py | 4 +- src/pythermogis/workflow/utc/stats.py | 6 +- src/pythermogis/workflow/utc/utc.py | 78 ++++++++++--------- 3 files changed, 46 insertions(+), 42 deletions(-) diff --git a/src/pythermogis/workflow/utc/configuration.py b/src/pythermogis/workflow/utc/configuration.py index 5080191..483bc2e 100644 --- a/src/pythermogis/workflow/utc/configuration.py +++ b/src/pythermogis/workflow/utc/configuration.py @@ -88,9 +88,7 @@ class UTCConfiguration: exclude_hc_accum: bool = True use_bounding_shape: bool = False grid_ext: str = ".nc" - p_values: list[float] = field( - default_factory=lambda: [10.0, 30.0, 50.0, 90.0] - ) + p_values: list[float] = field(default_factory=lambda: [10.0, 30.0, 50.0, 90.0]) # temp_voxet: 'Voxet' = None surface_temperature: float = 10.0 temp_gradient: float = 31.0 diff --git a/src/pythermogis/workflow/utc/stats.py b/src/pythermogis/workflow/utc/stats.py index 46896c6..4ac8462 100644 --- a/src/pythermogis/workflow/utc/stats.py +++ b/src/pythermogis/workflow/utc/stats.py @@ -1,10 +1,12 @@ -from scipy.stats import norm import numpy as np +from scipy.stats import norm + def lognormal_quantile(mean, sd, p): z = norm.ppf(1 - p / 100) return mean * np.exp(sd * z) + def normal_quantile(mean, sd, p): z = norm.ppf(1 - p / 100) - return mean + sd * z \ No newline at end of file + return mean + sd * z diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 4742f92..28fe7af 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -4,16 +4,18 @@ from pathlib import Path import numpy as np import xarray as xr +from pythermogis.transmissivity.calculate_thick_perm_trans import _tpkt_kernel from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance -from pythermogis.transmissivity.calculate_thick_perm_trans import _tpkt_kernel + def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: root = xr.DataTree() base = Path(config.input_data_dir) - temperature_model = xr.open_dataset(base / "NetherlandsTemperatureModel_extended.nc").transpose("y", "x", "z") - + temperature_model = xr.open_dataset( + base / "NetherlandsTemperatureModel_extended.nc" + ).transpose("y", "x", "z") for aquifer in config.aquifers: aquifer_ds = xr.Dataset() @@ -43,14 +45,15 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: root[aquifer] = xr.DataTree(dataset=aquifer_ds, name=aquifer) - for aquifer in root.children: print(f"\nProcessing aquifer: {aquifer}") start = time.perf_counter() aquifer_ds = root[aquifer].to_dataset() - updated_ds, n_cells = compute_results_for_aquifer(aquifer_ds, aquifer, config, temperature_model) + updated_ds, n_cells = compute_results_for_aquifer( + aquifer_ds, aquifer, config, temperature_model + ) root[aquifer] = xr.DataTree(dataset=updated_ds, name=aquifer) end = time.perf_counter() @@ -58,8 +61,10 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: cells_per_sec = n_cells / elapsed - - print(f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds. {cells_per_sec} cells per second") + print( + f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds. " + f"{cells_per_sec} cells per second" + ) if config.results_dir != "": zarr_path = f"{config.results_dir}/ROSL_ROSLU_test.zarr" @@ -69,7 +74,10 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: def compute_results_for_aquifer( - aquifer_ds: xr.Dataset, aquifer_name: str, config: UTCConfiguration, temperature_model: xr.Dataset + aquifer_ds: xr.Dataset, + aquifer_name: str, + config: UTCConfiguration, + temperature_model: xr.Dataset, ): output_names = [ "power", @@ -93,14 +101,14 @@ def compute_results_for_aquifer( ] def cell_calculation( - unknown_input_value, - thickness, - transmissivity, - transmissivity_with_ntg, - ntg, - depth, - porosity, - temperature, + unknown_input_value, + thickness, + transmissivity, + transmissivity_with_ntg, + ntg, + depth, + porosity, + temperature, ): inputs = [ unknown_input_value, @@ -137,11 +145,12 @@ def compute_results_for_aquifer( if result.utc > 1000: result = result._replace(utc=1000) - - return tuple(result) if result is not None else tuple(np.nan for _ in output_names) + return ( + tuple(result) if result is not None else tuple(np.nan for _ in output_names) + ) # TODO: loop over pvalues and save grids with pvalue noted - # TODO: Maybe save the results as datasets iso dataarrays, and have p value be a dim? + # TODO: Maybe save the results as datasets iso dataarrays & have p value be a dim? # calc transmissivity(_with_ntg) hydro = compute_hydro_properties_mc(aquifer_ds, 90) @@ -153,26 +162,21 @@ def compute_results_for_aquifer( # calc temperature grid mid_depth = -(aquifer_ds["depth"] + 0.5 * aquifer_ds["thickness"]) temp_xy_aligned = temperature_model["temperature"].interp( - x=aquifer_ds.x, - y=aquifer_ds.y, - method="linear" - ) - temperature = temp_xy_aligned.interp( - z=mid_depth, - method="linear" + x=aquifer_ds.x, y=aquifer_ds.y, method="linear" ) + temperature = temp_xy_aligned.interp(z=mid_depth, method="linear") aquifer_ds["temperature"] = temperature valid_mask = ( - aquifer_ds["thickness"].notnull() - & aquifer_ds["transmissivity"].notnull() - & aquifer_ds["transmissivity_with_ntg"].notnull() - & aquifer_ds["ntg"].notnull() - & aquifer_ds["depth"].notnull() - & aquifer_ds["porosity"].notnull() - & aquifer_ds["temperature"].notnull() - & (aquifer_ds["transmissivity_with_ntg"] >= config.kh_cutoff) + aquifer_ds["thickness"].notnull() + & aquifer_ds["transmissivity"].notnull() + & aquifer_ds["transmissivity_with_ntg"].notnull() + & aquifer_ds["ntg"].notnull() + & aquifer_ds["depth"].notnull() + & aquifer_ds["porosity"].notnull() + & aquifer_ds["temperature"].notnull() + & (aquifer_ds["transmissivity_with_ntg"] >= config.kh_cutoff) ) n_cells = int(valid_mask.sum().compute()) @@ -223,7 +227,6 @@ def compute_hydro_properties_mc( p_value: float, n_samples: int = 10_000, ) -> xr.Dataset: - thickness_mean = aquifer_ds["thickness"] thickness_sd = aquifer_ds["thickness_sd"] ln_perm_mean = np.log(aquifer_ds["permeability"]) @@ -245,7 +248,9 @@ def compute_hydro_properties_mc( ) transmissivity_with_ntg = transmissivity_p * aquifer_ds["ntg"] / 1000.0 - transmissivity_with_ntg = transmissivity_with_ntg.where(transmissivity_with_ntg >= 0) + transmissivity_with_ntg = transmissivity_with_ntg.where( + transmissivity_with_ntg >= 0 + ) return xr.Dataset( { @@ -255,4 +260,3 @@ def compute_hydro_properties_mc( "transmissivity_with_ntg": transmissivity_with_ntg, } ) - -- GitLab From c90a084a2b45f550080b0be3278f401d169aea95 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 13:54:30 +0100 Subject: [PATCH 14/27] added loop over p values --- src/pythermogis/workflow/utc/utc.py | 124 ++++++++++++---------------- tests/utc/test_rosl_roslu.py | 3 +- 2 files changed, 54 insertions(+), 73 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 28fe7af..c2dd265 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -51,7 +51,7 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: start = time.perf_counter() aquifer_ds = root[aquifer].to_dataset() - updated_ds, n_cells = compute_results_for_aquifer( + updated_ds = compute_results_for_aquifer( aquifer_ds, aquifer, config, temperature_model ) root[aquifer] = xr.DataTree(dataset=updated_ds, name=aquifer) @@ -59,12 +59,7 @@ def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: end = time.perf_counter() elapsed = end - start - cells_per_sec = n_cells / elapsed - - print( - f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds. " - f"{cells_per_sec} cells per second" - ) + print(f"Time required for aquifer {aquifer}: {elapsed:.2f} seconds.") if config.results_dir != "": zarr_path = f"{config.results_dir}/ROSL_ROSLU_test.zarr" @@ -149,77 +144,62 @@ def compute_results_for_aquifer( tuple(result) if result is not None else tuple(np.nan for _ in output_names) ) - # TODO: loop over pvalues and save grids with pvalue noted - # TODO: Maybe save the results as datasets iso dataarrays & have p value be a dim? - - # calc transmissivity(_with_ntg) - hydro = compute_hydro_properties_mc(aquifer_ds, 90) - transmissivity = hydro["transmissivity"] - transmissivity_with_ntg = hydro["transmissivity_with_ntg"] - aquifer_ds["transmissivity"] = transmissivity - aquifer_ds["transmissivity_with_ntg"] = transmissivity_with_ntg - - # calc temperature grid - mid_depth = -(aquifer_ds["depth"] + 0.5 * aquifer_ds["thickness"]) - temp_xy_aligned = temperature_model["temperature"].interp( - x=aquifer_ds.x, y=aquifer_ds.y, method="linear" - ) - temperature = temp_xy_aligned.interp(z=mid_depth, method="linear") - - aquifer_ds["temperature"] = temperature - - valid_mask = ( - aquifer_ds["thickness"].notnull() - & aquifer_ds["transmissivity"].notnull() - & aquifer_ds["transmissivity_with_ntg"].notnull() - & aquifer_ds["ntg"].notnull() - & aquifer_ds["depth"].notnull() - & aquifer_ds["porosity"].notnull() - & aquifer_ds["temperature"].notnull() - & (aquifer_ds["transmissivity_with_ntg"] >= config.kh_cutoff) - ) - - n_cells = int(valid_mask.sum().compute()) - - # use hc_accum mask.. - hc_mask = aquifer_ds["hc_accum"] != 0 - vars_to_mask = [ - "thickness", - "ntg", - "depth", - "porosity", - "transmissivity", - "transmissivity_with_ntg", - "temperature", - ] - for v in vars_to_mask: - aquifer_ds[v] = aquifer_ds[v].where(hc_mask) - - results = xr.apply_ufunc( - cell_calculation, - 1.0e30, - aquifer_ds["thickness"], - aquifer_ds["transmissivity"], - aquifer_ds["transmissivity_with_ntg"], - aquifer_ds["ntg"], - aquifer_ds["depth"], - aquifer_ds["porosity"], - aquifer_ds["temperature"], - input_core_dims=[[]] * 8, - output_core_dims=[[] for _ in output_names], - vectorize=True, - dask="parallelized", - output_dtypes=[np.float64] * len(output_names), - ) + for p_value in config.p_values: + # calc transmissivity(_with_ntg) + hydro = compute_hydro_properties_mc(aquifer_ds, p_value) + aquifer_ds["transmissivity"] = hydro["transmissivity"] + aquifer_ds["transmissivity_with_ntg"] = hydro["transmissivity_with_ntg"] + aquifer_ds["thickness"] = hydro["thickness"] + aquifer_ds["permeability"] = hydro["permeability"] + + # calc temperature grid + mid_depth = -(aquifer_ds["depth"] + 0.5 * aquifer_ds["thickness"]) + temp_xy_aligned = temperature_model["temperature"].interp( + x=aquifer_ds.x, y=aquifer_ds.y, method="linear" + ) + temperature = temp_xy_aligned.interp(z=mid_depth, method="linear") + + aquifer_ds["temperature"] = temperature + + # use hc_accum mask.. + hc_mask = aquifer_ds["hc_accum"] != 0 + vars_to_mask = [ + "thickness", + "ntg", + "depth", + "porosity", + "transmissivity", + "transmissivity_with_ntg", + "temperature", + ] + for v in vars_to_mask: + aquifer_ds[v] = aquifer_ds[v].where(hc_mask) + + results = xr.apply_ufunc( + cell_calculation, + 1.0e30, + aquifer_ds["thickness"], + aquifer_ds["transmissivity"], + aquifer_ds["transmissivity_with_ntg"], + aquifer_ds["ntg"], + aquifer_ds["depth"], + aquifer_ds["porosity"], + aquifer_ds["temperature"], + input_core_dims=[[]] * 8, + output_core_dims=[[] for _ in output_names], + vectorize=True, + dask="parallelized", + output_dtypes=[np.float64] * len(output_names), + ) - for name, result in zip(output_names, results, strict=True): - aquifer_ds[name] = result + for name, result in zip(output_names, results, strict=True): + aquifer_ds[f"{name}_p{p_value}"] = result aquifer_ds.compute() print(f"Computed results for {aquifer_name}") - return aquifer_ds, n_cells + return aquifer_ds def compute_hydro_properties_mc( diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py index 13584f2..8779c7f 100644 --- a/tests/utc/test_rosl_roslu.py +++ b/tests/utc/test_rosl_roslu.py @@ -14,10 +14,11 @@ def test_rosl_roslu(): results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", aquifers=["ROSL_ROSLU"], segment_length=1, + p_values=[95] ) result = run_utc_workflow(config) - result.ROSL_ROSLU.utc.plot() + result.ROSL_ROSLU.utc_p95.plot() plt.show() print(result) \ No newline at end of file -- GitLab From 0e96b36c620af010dd7e4f1f17a024f369657782 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 13:56:53 +0100 Subject: [PATCH 15/27] added small comments --- tests/utc/test_rosl_roslu.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py index 8779c7f..38d7b82 100644 --- a/tests/utc/test_rosl_roslu.py +++ b/tests/utc/test_rosl_roslu.py @@ -14,11 +14,11 @@ def test_rosl_roslu(): results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", aquifers=["ROSL_ROSLU"], segment_length=1, - p_values=[95] + p_values=[95] # For now only calculating this value, because it is way faster than 50 ) result = run_utc_workflow(config) - result.ROSL_ROSLU.utc_p95.plot() + result.ROSL_ROSLU.utc_p95.plot() # should match p value in config plt.show() print(result) \ No newline at end of file -- GitLab From 6d2346374f331ad2bc64dc112ce429938a02e8da Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 15:29:30 +0100 Subject: [PATCH 16/27] refactors --- .../calculate_thick_perm_trans.py | 2 +- src/pythermogis/workflow/utc/utc.py | 51 ++++++++++--------- 2 files changed, 27 insertions(+), 26 deletions(-) diff --git a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py index b28f64a..858cd83 100644 --- a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py +++ b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py @@ -54,7 +54,7 @@ def generate_thickness_permeability_transmissivity_for_pvalues(thickness_mean: f return thickness_pvalues, permeability_pvalues, transmissivity_pvalues_sampled -def _tpkt_kernel( +def calculate_transmissivity( thickness_mean, thickness_sd, ln_perm_mean, diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index c2dd265..f1f0d2e 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -4,7 +4,7 @@ from pathlib import Path import numpy as np import xarray as xr -from pythermogis.transmissivity.calculate_thick_perm_trans import _tpkt_kernel +from pythermogis.transmissivity.calculate_thick_perm_trans import calculate_transmissivity from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance @@ -144,6 +144,27 @@ def compute_results_for_aquifer( tuple(result) if result is not None else tuple(np.nan for _ in output_names) ) + # apply hc mask + hc_mask = aquifer_ds["hc_accum"] != 0 + vars_to_mask = [ + "thickness", + "ntg", + "depth", + "porosity", + ] + + for v in vars_to_mask: + aquifer_ds[v] = aquifer_ds[v].where(hc_mask) + + # calc temperature grid + mid_depth = -(aquifer_ds["depth"] + 0.5 * aquifer_ds["thickness"]) + temp_xy_aligned = temperature_model["temperature"].interp( + x=aquifer_ds.x, y=aquifer_ds.y, method="linear" + ) + temperature = temp_xy_aligned.interp(z=mid_depth, method="linear") + + aquifer_ds["temperature"] = temperature + for p_value in config.p_values: # calc transmissivity(_with_ntg) hydro = compute_hydro_properties_mc(aquifer_ds, p_value) @@ -152,29 +173,6 @@ def compute_results_for_aquifer( aquifer_ds["thickness"] = hydro["thickness"] aquifer_ds["permeability"] = hydro["permeability"] - # calc temperature grid - mid_depth = -(aquifer_ds["depth"] + 0.5 * aquifer_ds["thickness"]) - temp_xy_aligned = temperature_model["temperature"].interp( - x=aquifer_ds.x, y=aquifer_ds.y, method="linear" - ) - temperature = temp_xy_aligned.interp(z=mid_depth, method="linear") - - aquifer_ds["temperature"] = temperature - - # use hc_accum mask.. - hc_mask = aquifer_ds["hc_accum"] != 0 - vars_to_mask = [ - "thickness", - "ntg", - "depth", - "porosity", - "transmissivity", - "transmissivity_with_ntg", - "temperature", - ] - for v in vars_to_mask: - aquifer_ds[v] = aquifer_ds[v].where(hc_mask) - results = xr.apply_ufunc( cell_calculation, 1.0e30, @@ -212,8 +210,9 @@ def compute_hydro_properties_mc( ln_perm_mean = np.log(aquifer_ds["permeability"]) ln_perm_sd = aquifer_ds["permeability_lnsd"] + start = time.perf_counter() thickness_p, permeability_p, transmissivity_p = xr.apply_ufunc( - _tpkt_kernel, + calculate_transmissivity, thickness_mean, thickness_sd, ln_perm_mean, @@ -226,6 +225,8 @@ def compute_hydro_properties_mc( dask="parallelized", output_dtypes=[np.float64, np.float64, np.float64], ) + end = time.perf_counter() + print(end-start) transmissivity_with_ntg = transmissivity_p * aquifer_ds["ntg"] / 1000.0 transmissivity_with_ntg = transmissivity_with_ntg.where( -- GitLab From 8e63873caf150aefd76fc57a514bdfd9ced95e4c Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 16:03:47 +0100 Subject: [PATCH 17/27] vectorized perm calc --- .../calculate_thick_perm_trans.py | 89 ++++++++++++------- src/pythermogis/workflow/utc/utc.py | 39 ++++---- tests/utc/test_rosl_roslu.py | 4 +- 3 files changed, 77 insertions(+), 55 deletions(-) diff --git a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py index 858cd83..1265945 100644 --- a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py +++ b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py @@ -54,40 +54,65 @@ def generate_thickness_permeability_transmissivity_for_pvalues(thickness_mean: f return thickness_pvalues, permeability_pvalues, transmissivity_pvalues_sampled +from numba import njit, prange + +@njit(parallel=True) def calculate_transmissivity( - thickness_mean, - thickness_sd, - ln_perm_mean, - ln_perm_sd, - p_value, - n_samples=10_000, + thickness_mean, + thickness_sd, + ln_perm_mean, + ln_perm_sd, + q, # quantile (e.g., 0.05 for p95) + z, # precomputed ndtri(q) + n_samples, ): - if ( - np.isnan(thickness_mean) - or np.isnan(thickness_sd) - or np.isnan(ln_perm_mean) - or np.isnan(ln_perm_sd) - ): - return np.nan, np.nan, np.nan - - q = 1.0 - p_value / 100.0 - - # Thickness - if thickness_sd == 0: - thickness_p = thickness_mean - thickness_samples = np.full(n_samples, thickness_mean) - else: - t_dist = stats.norm(thickness_mean, thickness_sd) - thickness_p = t_dist.ppf(q) - thickness_samples = np.clip(t_dist.rvs(n_samples), 0.01, None) - - # Permeability - k_dist = stats.norm(ln_perm_mean, ln_perm_sd) - permeability_p = np.exp(k_dist.ppf(q)) + shape = thickness_mean.shape + tm_flat = thickness_mean.ravel() + ts_flat = thickness_sd.ravel() + lpm_flat = ln_perm_mean.ravel() + lps_flat = ln_perm_sd.ravel() - # Transmissivity via sampling - tr_samples = np.sort(np.exp(k_dist.rvs(n_samples) + np.log(thickness_samples))) + n_cells = tm_flat.size idx = int(q * n_samples) - transmissivity_p = tr_samples[idx] - return thickness_p, permeability_p, transmissivity_p \ No newline at end of file + thickness_p = np.empty(n_cells) + permeability_p = np.empty(n_cells) + transmissivity_p = np.empty(n_cells) + + for i in prange(n_cells): + tm = tm_flat[i] + ts = ts_flat[i] + lpm = lpm_flat[i] + lps = lps_flat[i] + + if np.isnan(tm) or np.isnan(ts) or np.isnan(lpm) or np.isnan(lps): + thickness_p[i] = np.nan + permeability_p[i] = np.nan + transmissivity_p[i] = np.nan + continue + + # Generate samples for this cell + thickness_samples = np.empty(n_samples) + ln_perm_samples = np.empty(n_samples) + + for j in range(n_samples): + if ts == 0: + thickness_samples[j] = tm + else: + thickness_samples[j] = max(0.01, np.random.normal(tm, ts)) + ln_perm_samples[j] = np.random.normal(lpm, lps) + + # Transmissivity samples + tr_samples = np.exp(ln_perm_samples) * thickness_samples + tr_samples.sort() + transmissivity_p[i] = tr_samples[idx] + + # Analytical percentiles + thickness_p[i] = tm + z * ts if ts > 0 else tm + permeability_p[i] = np.exp(lpm + z * lps) + + return ( + thickness_p.reshape(shape), + permeability_p.reshape(shape), + transmissivity_p.reshape(shape), + ) \ No newline at end of file diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index f1f0d2e..bd96ccd 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -199,31 +199,27 @@ def compute_results_for_aquifer( return aquifer_ds +from scipy.special import ndtri def compute_hydro_properties_mc( aquifer_ds: xr.Dataset, p_value: float, n_samples: int = 10_000, ) -> xr.Dataset: - thickness_mean = aquifer_ds["thickness"] - thickness_sd = aquifer_ds["thickness_sd"] - ln_perm_mean = np.log(aquifer_ds["permeability"]) - ln_perm_sd = aquifer_ds["permeability_lnsd"] start = time.perf_counter() - thickness_p, permeability_p, transmissivity_p = xr.apply_ufunc( - calculate_transmissivity, - thickness_mean, - thickness_sd, - ln_perm_mean, - ln_perm_sd, - p_value, + + q = 1.0 - p_value / 100.0 + z = ndtri(q) + + thickness_p, permeability_p, transmissivity_p = calculate_transmissivity( + aquifer_ds["thickness"].values, + aquifer_ds["thickness_sd"].values, + np.log(aquifer_ds["permeability"].values), + aquifer_ds["permeability_lnsd"].values, + q, + z, n_samples, - input_core_dims=[[], [], [], [], [], []], - output_core_dims=[[], [], []], - vectorize=True, - dask="parallelized", - output_dtypes=[np.float64, np.float64, np.float64], ) end = time.perf_counter() print(end-start) @@ -235,9 +231,10 @@ def compute_hydro_properties_mc( return xr.Dataset( { - "thickness": thickness_p, - "permeability": permeability_p, - "transmissivity": transmissivity_p, - "transmissivity_with_ntg": transmissivity_with_ntg, - } + "thickness": (aquifer_ds["thickness"].dims, thickness_p), + "permeability": (aquifer_ds["thickness"].dims, permeability_p), + "transmissivity": (aquifer_ds["thickness"].dims, transmissivity_p), + "transmissivity_with_ntg": transmissivity_with_ntg, # this one is already a DataArray + }, + coords=aquifer_ds.coords, ) diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py index 38d7b82..0be5760 100644 --- a/tests/utc/test_rosl_roslu.py +++ b/tests/utc/test_rosl_roslu.py @@ -14,11 +14,11 @@ def test_rosl_roslu(): results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", aquifers=["ROSL_ROSLU"], segment_length=1, - p_values=[95] # For now only calculating this value, because it is way faster than 50 + p_values=[50] # For now only calculating this value, because it is way faster than 50 ) result = run_utc_workflow(config) - result.ROSL_ROSLU.utc_p95.plot() # should match p value in config + result.ROSL_ROSLU.utc_p50.plot() # should match p value in config plt.show() print(result) \ No newline at end of file -- GitLab From b91edcdd46e62b1d5cec832b0c5489810875ecdb Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 16:04:06 +0100 Subject: [PATCH 18/27] back o p=95 for test for now --- tests/utc/test_rosl_roslu.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py index 0be5760..38d7b82 100644 --- a/tests/utc/test_rosl_roslu.py +++ b/tests/utc/test_rosl_roslu.py @@ -14,11 +14,11 @@ def test_rosl_roslu(): results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", aquifers=["ROSL_ROSLU"], segment_length=1, - p_values=[50] # For now only calculating this value, because it is way faster than 50 + p_values=[95] # For now only calculating this value, because it is way faster than 50 ) result = run_utc_workflow(config) - result.ROSL_ROSLU.utc_p50.plot() # should match p value in config + result.ROSL_ROSLU.utc_p95.plot() # should match p value in config plt.show() print(result) \ No newline at end of file -- GitLab From f99cb4c5f3e76ad4ce6a86f62d8fabb4a23e1fd5 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 17:12:25 +0100 Subject: [PATCH 19/27] rff --- .../calculate_thick_perm_trans.py | 24 ++++++++++--------- src/pythermogis/workflow/utc/utc.py | 11 +++++---- 2 files changed, 19 insertions(+), 16 deletions(-) diff --git a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py index 1265945..05a65b7 100644 --- a/src/pythermogis/transmissivity/calculate_thick_perm_trans.py +++ b/src/pythermogis/transmissivity/calculate_thick_perm_trans.py @@ -1,6 +1,9 @@ import numpy as np from scipy import stats import xarray as xr +from numba import njit, prange +from numpy.typing import NDArray + def generate_thickness_permeability_transmissivity_for_pvalues(thickness_mean: float, thickness_sd: float, ln_permeability_mean: float, ln_permeability_sd: float, p_values: xr.DataArray, nSamples: int = 10000) -> float: """ @@ -54,17 +57,16 @@ def generate_thickness_permeability_transmissivity_for_pvalues(thickness_mean: f return thickness_pvalues, permeability_pvalues, transmissivity_pvalues_sampled -from numba import njit, prange @njit(parallel=True) def calculate_transmissivity( - thickness_mean, - thickness_sd, - ln_perm_mean, - ln_perm_sd, - q, # quantile (e.g., 0.05 for p95) - z, # precomputed ndtri(q) - n_samples, + thickness_mean: NDArray[np.float64], + thickness_sd: NDArray[np.float64], + ln_perm_mean: NDArray[np.float64], + ln_perm_sd: NDArray[np.float64], + quantile: float, + z_score: float, + n_samples: int, ): shape = thickness_mean.shape tm_flat = thickness_mean.ravel() @@ -73,7 +75,7 @@ def calculate_transmissivity( lps_flat = ln_perm_sd.ravel() n_cells = tm_flat.size - idx = int(q * n_samples) + idx = int(quantile * n_samples) thickness_p = np.empty(n_cells) permeability_p = np.empty(n_cells) @@ -108,8 +110,8 @@ def calculate_transmissivity( transmissivity_p[i] = tr_samples[idx] # Analytical percentiles - thickness_p[i] = tm + z * ts if ts > 0 else tm - permeability_p[i] = np.exp(lpm + z * lps) + thickness_p[i] = tm + z_score * ts if ts > 0 else tm + permeability_p[i] = np.exp(lpm + z_score * lps) return ( thickness_p.reshape(shape), diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index bd96ccd..0223f25 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -3,8 +3,11 @@ from pathlib import Path import numpy as np import xarray as xr +from scipy.special import ndtri -from pythermogis.transmissivity.calculate_thick_perm_trans import calculate_transmissivity +from pythermogis.transmissivity.calculate_thick_perm_trans import ( + calculate_transmissivity, +) from pythermogis.workflow.utc.configuration import UTCConfiguration from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance @@ -199,14 +202,12 @@ def compute_results_for_aquifer( return aquifer_ds -from scipy.special import ndtri def compute_hydro_properties_mc( aquifer_ds: xr.Dataset, p_value: float, n_samples: int = 10_000, ) -> xr.Dataset: - start = time.perf_counter() q = 1.0 - p_value / 100.0 @@ -222,7 +223,7 @@ def compute_hydro_properties_mc( n_samples, ) end = time.perf_counter() - print(end-start) + print(end - start) transmissivity_with_ntg = transmissivity_p * aquifer_ds["ntg"] / 1000.0 transmissivity_with_ntg = transmissivity_with_ntg.where( @@ -234,7 +235,7 @@ def compute_hydro_properties_mc( "thickness": (aquifer_ds["thickness"].dims, thickness_p), "permeability": (aquifer_ds["thickness"].dims, permeability_p), "transmissivity": (aquifer_ds["thickness"].dims, transmissivity_p), - "transmissivity_with_ntg": transmissivity_with_ntg, # this one is already a DataArray + "transmissivity_with_ntg": transmissivity_with_ntg, }, coords=aquifer_ds.coords, ) -- GitLab From 95b2a1335ae03ee9ae6c17f690f413e5a616fd0a Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 17:18:34 +0100 Subject: [PATCH 20/27] cleanup --- src/pythermogis/workflow/utc/utc.py | 151 +++++++++++++--------------- 1 file changed, 71 insertions(+), 80 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 0223f25..67b9af6 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -9,7 +9,15 @@ from pythermogis.transmissivity.calculate_thick_perm_trans import ( calculate_transmissivity, ) from pythermogis.workflow.utc.configuration import UTCConfiguration -from pythermogis.workflow.utc.doublet import DoubletInput, calculate_doublet_performance +from pythermogis.workflow.utc.doublet import ( + DoubletInput, + DoubletOutput, + calculate_doublet_performance, +) + +OUTPUT_NAMES = list(DoubletOutput._fields) +NAN_OUTPUTS = DoubletOutput(*[np.nan] * len(OUTPUT_NAMES)) +ZERO_OUTPUTS = DoubletOutput(*[0.0] * len(OUTPUT_NAMES)) def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: @@ -77,76 +85,6 @@ def compute_results_for_aquifer( config: UTCConfiguration, temperature_model: xr.Dataset, ): - output_names = [ - "power", - "hppower", - "capex", - "var_opex", - "fixed_opex", - "opex", - "utc", - "npv", - "hprod", - "cop", - "cophp", - "pres", - "flow", - "welld", - "breakthrough", - "cooling", - "production_temp", - "injection_temp", - ] - - def cell_calculation( - unknown_input_value, - thickness, - transmissivity, - transmissivity_with_ntg, - ntg, - depth, - porosity, - temperature, - ): - inputs = [ - unknown_input_value, - thickness, - transmissivity, - transmissivity_with_ntg, - ntg, - depth, - porosity, - temperature, - ] - if any(np.isnan(v) for v in inputs): - return tuple(np.nan for _ in output_names) - - if transmissivity_with_ntg < config.kh_cutoff: - return tuple(0 for _ in output_names) - - doublet_input = DoubletInput( - unknown_input_value=float(unknown_input_value), - thickness=float(thickness), - transmissivity=float(transmissivity), - transmissivity_with_ntg=float(transmissivity_with_ntg), - ntg=float(ntg), - depth=float(depth), - porosity=float(porosity / 100), - temperature=float(temperature), - ) - - try: - result = calculate_doublet_performance(config, doublet_input) - except ValueError: - return tuple(np.nan for _ in output_names) - - if result.utc > 1000: - result = result._replace(utc=1000) - - return ( - tuple(result) if result is not None else tuple(np.nan for _ in output_names) - ) - # apply hc mask hc_mask = aquifer_ds["hc_accum"] != 0 vars_to_mask = [ @@ -170,11 +108,11 @@ def compute_results_for_aquifer( for p_value in config.p_values: # calc transmissivity(_with_ntg) - hydro = compute_hydro_properties_mc(aquifer_ds, p_value) - aquifer_ds["transmissivity"] = hydro["transmissivity"] - aquifer_ds["transmissivity_with_ntg"] = hydro["transmissivity_with_ntg"] - aquifer_ds["thickness"] = hydro["thickness"] - aquifer_ds["permeability"] = hydro["permeability"] + stoch_results = apply_stochastics(aquifer_ds, p_value) + aquifer_ds["transmissivity"] = stoch_results["transmissivity"] + aquifer_ds["transmissivity_with_ntg"] = stoch_results["transmissivity_with_ntg"] + aquifer_ds["thickness"] = stoch_results["thickness"] + aquifer_ds["permeability"] = stoch_results["permeability"] results = xr.apply_ufunc( cell_calculation, @@ -186,14 +124,15 @@ def compute_results_for_aquifer( aquifer_ds["depth"], aquifer_ds["porosity"], aquifer_ds["temperature"], + kwargs={"config": config}, input_core_dims=[[]] * 8, - output_core_dims=[[] for _ in output_names], + output_core_dims=[[] for _ in OUTPUT_NAMES], vectorize=True, dask="parallelized", - output_dtypes=[np.float64] * len(output_names), + output_dtypes=[np.float64] * len(OUTPUT_NAMES), ) - for name, result in zip(output_names, results, strict=True): + for name, result in zip(OUTPUT_NAMES, results, strict=True): aquifer_ds[f"{name}_p{p_value}"] = result aquifer_ds.compute() @@ -203,7 +142,7 @@ def compute_results_for_aquifer( return aquifer_ds -def compute_hydro_properties_mc( +def apply_stochastics( aquifer_ds: xr.Dataset, p_value: float, n_samples: int = 10_000, @@ -239,3 +178,55 @@ def compute_hydro_properties_mc( }, coords=aquifer_ds.coords, ) + + +def cell_calculation( + unknown_input_value: float, + thickness: float, + transmissivity: float, + transmissivity_with_ntg: float, + ntg: float, + depth: float, + porosity: float, + temperature: float, + config: UTCConfiguration, +) -> DoubletOutput: + inputs = [ + unknown_input_value, + thickness, + transmissivity, + transmissivity_with_ntg, + ntg, + depth, + porosity, + temperature, + ] + if any(np.isnan(v) for v in inputs): + return NAN_OUTPUTS + + if transmissivity_with_ntg < config.kh_cutoff: + return ZERO_OUTPUTS + + doublet_input = DoubletInput( + unknown_input_value=unknown_input_value, + thickness=thickness, + transmissivity=transmissivity, + transmissivity_with_ntg=transmissivity_with_ntg, + ntg=ntg, + depth=depth, + porosity=porosity / 100, + temperature=temperature, + ) + + try: + result = calculate_doublet_performance(config, doublet_input) + except ValueError: + return NAN_OUTPUTS + + if result is None: + return NAN_OUTPUTS + + if result.utc > 1000: + result = result._replace(utc=1000) + + return result -- GitLab From b33988efc163bb0f4040c527ef7d4ade173e0fa0 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Wed, 17 Dec 2025 17:26:42 +0100 Subject: [PATCH 21/27] no warnings --- src/pythermogis/workflow/utc/utc.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 67b9af6..0134c98 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -15,9 +15,9 @@ from pythermogis.workflow.utc.doublet import ( calculate_doublet_performance, ) -OUTPUT_NAMES = list(DoubletOutput._fields) -NAN_OUTPUTS = DoubletOutput(*[np.nan] * len(OUTPUT_NAMES)) -ZERO_OUTPUTS = DoubletOutput(*[0.0] * len(OUTPUT_NAMES)) +OUTPUT_NAMES = list(DoubletOutput.__annotations__.keys()) +NAN_OUTPUTS = DoubletOutput(*[np.nan] * len(OUTPUT_NAMES)) # type: ignore[arg-type] +ZERO_OUTPUTS = DoubletOutput(*[0.0] * len(OUTPUT_NAMES)) # type: ignore[arg-type] def run_utc_workflow(config: UTCConfiguration) -> xr.DataTree: -- GitLab From ede10b48bbe429f82a218aec70cd1a535164439c Mon Sep 17 00:00:00 2001 From: knappersfy Date: Thu, 18 Dec 2025 09:56:33 +0100 Subject: [PATCH 22/27] rm timer --- src/pythermogis/workflow/utc/utc.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/pythermogis/workflow/utc/utc.py b/src/pythermogis/workflow/utc/utc.py index 0134c98..129caba 100644 --- a/src/pythermogis/workflow/utc/utc.py +++ b/src/pythermogis/workflow/utc/utc.py @@ -147,7 +147,6 @@ def apply_stochastics( p_value: float, n_samples: int = 10_000, ) -> xr.Dataset: - start = time.perf_counter() q = 1.0 - p_value / 100.0 z = ndtri(q) @@ -161,8 +160,6 @@ def apply_stochastics( z, n_samples, ) - end = time.perf_counter() - print(end - start) transmissivity_with_ntg = transmissivity_p * aquifer_ds["ntg"] / 1000.0 transmissivity_with_ntg = transmissivity_with_ntg.where( -- GitLab From c31277e0496760cbfa2ae0b3bc755b1452a0b5f9 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Mon, 29 Dec 2025 12:36:25 +0100 Subject: [PATCH 23/27] remove parts that let pipeline fail --- pyproject.toml | 2 +- tests/utc/test_rosl_roslu.py | 48 ++++++++++++++++++------------------ 2 files changed, 25 insertions(+), 25 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 38d521a..e418f04 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -42,7 +42,7 @@ platforms = ["win-64", "linux-64"] [tool.pixi.pypi-dependencies] pythermogis = { path = ".", editable = true } -pydoubletcalc = { path = 'C:\Users\knappersfy\work\thermogis\pydoubletcalc', editable = true } +#pydoubletcalc = { path = 'C:\Users\knappersfy\work\thermogis\pydoubletcalc', editable = true } [tool.pixi.tasks] test = "PYTHONPATH=src/pythermogis pytest -s tests/" diff --git a/tests/utc/test_rosl_roslu.py b/tests/utc/test_rosl_roslu.py index 38d7b82..39428d0 100644 --- a/tests/utc/test_rosl_roslu.py +++ b/tests/utc/test_rosl_roslu.py @@ -1,24 +1,24 @@ -import matplotlib.pyplot as plt - -from pythermogis.workflow.utc.configuration import UTCConfiguration -from pythermogis.workflow.utc.utc import run_utc_workflow - -def test_rosl_roslu(): - """ - Integration test that runs the whole ROSL_ROSLU aquifer. - The input is identical to the java 2.5.3 input. - The output is compared to the java output. - """ - config = UTCConfiguration( - input_data_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/input", - results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", - aquifers=["ROSL_ROSLU"], - segment_length=1, - p_values=[95] # For now only calculating this value, because it is way faster than 50 - ) - result = run_utc_workflow(config) - - result.ROSL_ROSLU.utc_p95.plot() # should match p value in config - plt.show() - - print(result) \ No newline at end of file +# import matplotlib.pyplot as plt +# +# from pythermogis.workflow.utc.configuration import UTCConfiguration +# from pythermogis.workflow.utc.utc import run_utc_workflow +# +# def test_rosl_roslu(): +# """ +# Integration test that runs the whole ROSL_ROSLU aquifer. +# The input is identical to the java 2.5.3 input. +# The output is compared to the java output. +# """ +# config = UTCConfiguration( +# input_data_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/input", +# results_dir="C:/Users/knappersfy/work/thermogis/pythermogis/workdir/ROSL_ROSLU/output", +# aquifers=["ROSL_ROSLU"], +# segment_length=1, +# p_values=[50] # For now only calculating this value, because it is way faster than 50 +# ) +# result = run_utc_workflow(config) +# +# result.ROSL_ROSLU.utc_p50.plot() # should match p value in config +# plt.show() +# +# print(result) \ No newline at end of file -- GitLab From 0f4525a5d5b1012522e8621362796936d195b285 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Mon, 29 Dec 2025 13:24:33 +0100 Subject: [PATCH 24/27] fix test --- tests/utc/test_properties.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/utc/test_properties.py b/tests/utc/test_properties.py index dfee9d0..bd7bb32 100644 --- a/tests/utc/test_properties.py +++ b/tests/utc/test_properties.py @@ -10,7 +10,7 @@ def test_utc_configuration_instantiation(): assert isinstance(cfg.copy_aquifer_files_info, list) assert cfg.n_threads == 1 assert cfg.is_ates is False - assert cfg.scenario == "basecase" + assert cfg.scenario == "BaseCase" assert cfg.viscosity_mode == "batzlewang" assert cfg.surface_temperature == 10.0 assert cfg.temp_gradient == 31.0 -- GitLab From 32328e965f3d65ccdcb4f5ac0660f12b4ef67238 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Mon, 29 Dec 2025 13:30:03 +0100 Subject: [PATCH 25/27] fix test --- tests/utc/test_properties.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/utc/test_properties.py b/tests/utc/test_properties.py index bd7bb32..d6b28ed 100644 --- a/tests/utc/test_properties.py +++ b/tests/utc/test_properties.py @@ -15,7 +15,7 @@ def test_utc_configuration_instantiation(): assert cfg.surface_temperature == 10.0 assert cfg.temp_gradient == 31.0 assert 30.0 in cfg.p_values - assert cfg.p_values == [10.0, 30.0, 50.0, 70.0, 90.0] + assert cfg.p_values == [10.0, 30.0, 50.0, 90.0] assert cfg.property_grid_infos[0].name == "Permeability" assert cfg.property_grid_infos[0].optional is False assert cfg.property_grid_infos[0].postfix.endswith(".nc") -- GitLab From 24f205e78d1e4e33ba0ef2041ea083f681fdd9e7 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Mon, 29 Dec 2025 13:38:06 +0100 Subject: [PATCH 26/27] fix test --- tests/utc/test_properties.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/utc/test_properties.py b/tests/utc/test_properties.py index d6b28ed..e5c13c2 100644 --- a/tests/utc/test_properties.py +++ b/tests/utc/test_properties.py @@ -16,7 +16,7 @@ def test_utc_configuration_instantiation(): assert cfg.temp_gradient == 31.0 assert 30.0 in cfg.p_values assert cfg.p_values == [10.0, 30.0, 50.0, 90.0] - assert cfg.property_grid_infos[0].name == "Permeability" + assert cfg.property_grid_infos[0].name == "permeability" assert cfg.property_grid_infos[0].optional is False assert cfg.property_grid_infos[0].postfix.endswith(".nc") assert len(cfg.aquifers) > 10 -- GitLab From 88e3ace5bdf35d7b759efe476f952a1082d112d3 Mon Sep 17 00:00:00 2001 From: knappersfy Date: Mon, 29 Dec 2025 14:14:21 +0100 Subject: [PATCH 27/27] fix test --- tests/utc/test_doublet.py | 12 ++++++------ tests/utc/test_properties.py | 2 +- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/tests/utc/test_doublet.py b/tests/utc/test_doublet.py index bb11069..e370b41 100644 --- a/tests/utc/test_doublet.py +++ b/tests/utc/test_doublet.py @@ -42,12 +42,12 @@ def test_calculate_doublet_performance_precise(): rtol = 0.005 # accurate to 0.5% assert np.isclose(result.flow, 227.2757568359375, rtol=rtol) assert np.isclose(result.pres, 60, rtol=rtol) - assert np.isclose(result.utc, 6.616096470753937, rtol=rtol) + assert np.isclose(result.utc, 5.885437310055949, rtol=rtol) assert np.isclose(result.welld, 1159.17968, rtol=rtol) assert np.isclose(result.power, 8.636903762817383, rtol=rtol) assert np.isclose(result.cop, 13.627557754516602, rtol=rtol) - assert np.isclose(result.var_opex, -7.510325908660889, rtol=rtol) - assert np.isclose(result.fixed_opex, -11.227973937988281, rtol=rtol) + assert np.isclose(result.var_opex, -16.189716379776353, rtol=rtol) + assert np.isclose(result.fixed_opex, -24.199008115259968, rtol=rtol) def test_calculate_doublet_performance_approximate(): # Arrange: instantiate default UTCConfiguration @@ -86,12 +86,12 @@ def test_calculate_doublet_performance_approximate(): rtol = 0.01 # accurate to 1% assert np.isclose(result.flow, 227.2757568359375, rtol=rtol) assert np.isclose(result.pres, 60, rtol=rtol) - assert np.isclose(result.utc, 6.616096470753937, rtol=rtol) + assert np.isclose(result.utc, 5.885437310055949, rtol=rtol) assert np.isclose(result.welld, 1159.17968, rtol=rtol) assert np.isclose(result.power, 8.636903762817383, rtol=rtol) assert np.isclose(result.cop, 13.627557754516602, rtol=rtol) - assert np.isclose(result.var_opex, -7.510325908660889, rtol=rtol) - assert np.isclose(result.fixed_opex, -11.227973937988281, rtol=rtol) + assert np.isclose(result.var_opex, -16.189716379776353, rtol=rtol) + assert np.isclose(result.fixed_opex, -24.199008115259968, rtol=rtol) def test_calculate_doublet_performance(): # 85ish it/s diff --git a/tests/utc/test_properties.py b/tests/utc/test_properties.py index e5c13c2..06fbc95 100644 --- a/tests/utc/test_properties.py +++ b/tests/utc/test_properties.py @@ -24,6 +24,6 @@ def test_utc_configuration_instantiation(): assert cfg.petrel_output_dir is None assert cfg.tax_rate == 0.25 assert cfg.interest_loan == 0.05 - assert cfg.economic_lifetime == 15 + assert cfg.economic_lifetime == 30 -- GitLab