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IM/ -E "__init__.py" --extension py | xargs numpydoc lint diff --git a/.github/workflows/ruff.yml b/.github/workflows/ruff.yml deleted file mode 100644 index 8e10796b..00000000 --- a/.github/workflows/ruff.yml +++ /dev/null @@ -1,8 +0,0 @@ -name: Ruff -on: [pull_request] -jobs: - ruff: - runs-on: ubuntu-latest - steps: - - uses: actions/checkout@v4 - - uses: chartboost/ruff-action@v1 diff --git a/.github/workflows/pytest.yml b/.github/workflows/test.yml similarity index 76% rename from .github/workflows/pytest.yml rename to .github/workflows/test.yml index 13163da4..a9d8ebbb 100644 --- a/.github/workflows/pytest.yml +++ b/.github/workflows/test.yml @@ -1,4 +1,4 @@ -name: Pytest Check +name: Tests on: [pull_request] @@ -8,20 +8,19 @@ jobs: steps: - name: Checkout code - uses: actions/checkout@v4 + uses: actions/checkout@v5 - name: Set up Python uses: actions/setup-python@v5 with: - python-version: 3.11 - - name: Install dependencies - run: | - python -m pip install --upgrade pip - pip install -e ".[test]" + python-version: 3.13 + - uses: astral-sh/setup-uv@v4 + # Install project + - run: uv sync --dev --all-extras - name: Run tests run: | - pytest --cov=IM --cov-report=html tests + uv run pytest --cov=IM --cov-report=html tests - name: Upload coverage data uses: actions/upload-artifact@v4 @@ -37,12 +36,12 @@ jobs: steps: - name: Check out the repo - uses: actions/checkout@v4 + uses: actions/checkout@v5 - name: Set up Python uses: actions/setup-python@v5 with: - python-version: 3.11 + python-version: 3.13 - name: Install dependencies run: | @@ -71,3 +70,10 @@ jobs: path: htmlcov if: ${{ failure() }} + + cargo_test: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v5 + - name: Run cargo test + run: cargo test diff --git a/.github/workflows/types.yml b/.github/workflows/types.yml deleted file mode 100644 index 0f7a1c85..00000000 --- a/.github/workflows/types.yml +++ /dev/null @@ -1,32 +0,0 @@ -name: Type Check - -on: - push: - branches: [master] - 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version = "0.17.1", features = ["rayon", "approx"] } +approx = "0.5.1" +criterion = { version = "0.8.1", features = ["html_reports"] } + +[[bench]] +name = "intensity_benchmarks" +harness = false diff --git a/IM/im_calculation.py b/IM/im_calculation.py index b04fc595..18f08976 100644 --- a/IM/im_calculation.py +++ b/IM/im_calculation.py @@ -1,5 +1,6 @@ +"""IM calculation script for ascii waveforms""" + import multiprocessing -import os from pathlib import Path import numpy as np @@ -138,7 +139,6 @@ def calculate_ims( frequencies: np.ndarray = DEFAULT_FREQUENCIES, cores: int = multiprocessing.cpu_count(), ko_directory: Path | None = None, - use_numexpr: bool = False, ): """ Calculate intensity measures for a single waveform. @@ -160,9 +160,6 @@ def calculate_ims( ko_directory : Path, optional Path to the directory containing the Konno-Ohmachi matrices. Only required if FAS is in the list of IMs. - use_numexpr : bool, optional - If True, use numexpr for calculations. (Faster off for single waveform and multiprocessing) - Default is False. Returns ------- @@ -175,60 +172,50 @@ def calculate_ims( ValueError If the IM is not recognized or if required environment variables are not set to 1. """ - if cores == 1: - required_env_vars = [ - "NUMEXPR_NUM_THREADS", - "NUMBA_MAX_THREADS", - "NUMBA_NUM_THREADS", - "OPENBLAS_NUM_THREADS", - ] - unset_vars = [var for var in required_env_vars if os.getenv(var) != "1"] - if unset_vars: - raise ValueError( - f"The following environment variables must be set to 1: {', '.join(unset_vars)}" - ) + if ko_directory is None and IM.FAS in ims_list: raise ValueError( "The Konno-Ohmachi directory must be provided if Fourier amplitude spectrum is in the list of IMs." ) results = [] - + waveform = np.atleast_3d(waveform) + waveform = np.ascontiguousarray(np.moveaxis(waveform, -1, 0)) # Iterate through IMs and calculate them for im in ims_list: if im == IM.PGA: - result = ims.peak_ground_acceleration(waveform, use_numexpr=use_numexpr) + result = ims.peak_ground_acceleration(waveform, cores) result.index = [im.value] elif im == IM.PGV: - result = ims.peak_ground_velocity(waveform, dt, use_numexpr=use_numexpr) + result = ims.peak_ground_velocity(waveform, dt, cores) result.index = [im.value] elif im == IM.PGD: - result = ims.peak_ground_displacement(waveform, dt, use_numexpr=use_numexpr) + result = ims.peak_ground_displacement(waveform, dt, cores) result.index = [im.value] elif im == IM.pSA: data_array = ims.pseudo_spectral_acceleration( - waveform, periods, np.float32(dt), cores=cores, use_numexpr=use_numexpr + waveform, periods, np.float64(dt), cores=cores ) # Convert the data array to a DataFrame result = data_array.to_dataframe().unstack(level="component") result.index = [ f"{im.value}_{idx}" for idx in data_array.coords["period"].values ] - result.columns = result.columns.droplevel(0) + result.columns = result.columns.droplevel(0) # type: ignore[invalid-assignment] elif im == IM.CAV: - result = ims.cumulative_absolute_velocity(waveform, dt) + result = ims.cumulative_absolute_velocity(waveform, dt, cores) result.index = [im.value] elif im == IM.CAV5: - result = ims.cumulative_absolute_velocity(waveform, dt, 5) + result = ims.cumulative_absolute_velocity(waveform, dt, cores, threshold=5) result.index = [im.value] elif im == IM.Ds575: - result = ims.ds575(waveform, dt, use_numexpr=use_numexpr) + result = ims.ds575(waveform, dt, cores) result.index = [im.value] elif im == IM.Ds595: - result = ims.ds595(waveform, dt, use_numexpr=use_numexpr) + result = ims.ds595(waveform, dt, cores) result.index = [im.value] elif im == IM.AI: - result = ims.arias_intensity(waveform, dt) + result = ims.arias_intensity(waveform, dt, cores) result.index = [im.value] elif im == IM.FAS: assert ko_directory @@ -245,7 +232,7 @@ def calculate_ims( result.index = [ f"{im.value}_{idx}" for idx in data_array.coords["frequency"].values ] - result.columns = result.columns.droplevel(0) + result.columns = result.columns.droplevel(0) # type: ignore[invalid-assignment] else: raise ValueError( f"IM {im} not recognized. Available IMs are {IM.__members__.keys()}" diff --git a/IM/im_reader.py b/IM/im_reader.py index 73ed8189..00bed0b1 100644 --- a/IM/im_reader.py +++ b/IM/im_reader.py @@ -1,3 +1,5 @@ +"""IM reader utilities""" + from pathlib import Path # Importing pint_xarray registers pint units with xarray, allowing for diff --git a/IM/ims.py b/IM/ims.py index f9a4c7f4..89b7a9e8 100644 --- a/IM/ims.py +++ b/IM/ims.py @@ -1,23 +1,66 @@ """Intensity Measure Implementations.""" -import gc +import itertools import multiprocessing +import os import warnings -from collections.abc import Callable +from collections.abc import Generator, MutableMapping +from contextlib import contextmanager from enum import IntEnum, StrEnum from pathlib import Path from typing import Optional -import numba -import numexpr as ne import numpy as np import numpy.typing as npt import pandas as pd import scipy as sp +import tqdm import xarray as xr from pyfftw.interfaces import numpy_fft as fft -from IM import ko_matrices +from IM import ( + _core, # type: ignore[unresolved-import] + ko_matrices, +) + +# (n_components, n_stations, nt) +ChunkedWaveformArray = np.ndarray[tuple[int, int, int], np.dtype[np.float64]] +# (n_stations, nt) +SingleWaveformArray = np.ndarray[tuple[int, int], np.dtype[np.float64]] +WaveformArray = ChunkedWaveformArray | SingleWaveformArray +Array1D = np.ndarray[tuple[int], np.dtype[np.float64]] + + +@contextmanager +def environment( + **variables: str, + # NOTE: the type here could be the os._Environ type defined in the + # os module, but this means we don't rely on any specific + # behaviour of that object which might change later down the line + # (or indeed, they may remove the os._Environ object at any time + # because it is an internal class). +) -> Generator[MutableMapping[str, str]]: + """Update an environment and revert after exit + + Parameters + ---------- + **variables : str or bytes + Environment values to update inside the context manager. + + Yields + ------ + MutableMapping + The mapping object representing `os.environ`. + """ + # Code to acquire resource, e.g.: + old_environment: dict[str, str] = os.environ.copy() + try: + os.environ.update(variables) # type: ignore[no-matching-overload] + yield os.environ + finally: + for key in set(os.environ) - set(old_environment): + del os.environ[key] + os.environ.update(old_environment) class Component(IntEnum): @@ -46,256 +89,104 @@ class IM(StrEnum): FAS = "FAS" -@numba.njit(cache=True) -def newmark_estimate_psa( - waveforms: npt.NDArray[np.float32], - dt: np.float32, - w: npt.NDArray[np.float32], - xi: np.float32 = np.float32(0.05), - gamma: np.float32 = np.float32(1 / 2), - beta: np.float32 = np.float32(1 / 4), - m: np.float32 = np.float32(1), -) -> npt.NDArray[np.float32]: # pragma: no cover - """Compute pseudo-spectral acceleration using the Newmark-beta method [1]_ [2]_. - - Parameters - ---------- - waveforms : ndarray of float32 with shape `(n_stations, n_timesteps)` - Acceleration waveforms array. - dt : float32 - Time step between consecutive samples (s). - w : ndarray of float32 - Angular frequencies of single-degree-of-freedom oscillators (Hz). - xi : float32, optional - Damping coefficient, by default 0.05 - gamma : float32, optional - Newmark method gamma parameter, by default 0.5 - beta : float32, optional - Newmark method beta parameter, by default 0.25 - m : float32, optional - Mass parameter, by default 1.0 - - Returns - ------- - ndarray of float32 with shape `(n_stations, n_timesteps, n_frequencies)` - Response curves for SDOF oscillators. - - References - ---------- - .. [1] https://en.wikipedia.org/wiki/Newmark-beta_method - .. [2] ENCI335 (Structural Analysis), Chapter 4: Course notes on Newmark-beta method - """ - c = np.float32(2 * xi) * w - a = 1 / (beta * dt) * m + (gamma / beta) * c - b = 1 / (2 * beta) * m + dt * (gamma / (2 * beta) - 1) * c - k = np.square(w) - kbar = k + (gamma / (beta * dt)) * c + 1 / (beta * dt**2) * m - u = np.zeros( - shape=(waveforms.shape[0], waveforms.shape[1], w.size), dtype=np.float32 - ) - # calculations for each time step - dudt = np.zeros_like(w, dtype=np.float32) - # ns np x ns np x ns - for i in range(waveforms.shape[0]): - d2udt2 = (-m * waveforms[i, 0] - c * dudt - k * u[i, 0]) / m - for j in range(1, waveforms.shape[1]): - d_pti = -m * (waveforms[i, j] - waveforms[i, j - 1]) - d_pbari = d_pti + a * dudt + b * d2udt2 - d_ui = d_pbari / kbar - d_dudti = ( - (gamma / (beta * dt)) * d_ui - - (gamma / beta) * dudt - + dt * (1 - gamma / (2 * beta)) * d2udt2 - ) - d_d2udt2i = ( - 1 / (beta * dt**2) * d_ui - - 1 / (beta * dt) * dudt - - 1 / (2 * beta) * d2udt2 - ) - # Convert from incremental formulation and store values in vector - u[i, j] = u[i, j - 1] + d_ui - dudt += d_dudti - d2udt2 += d_d2udt2i - - dudt[:] = np.float32(0.0) - return u - - -def rotate_components( - step_000: np.ndarray, - step_090: np.ndarray, - theta: np.ndarray, - out: Optional[np.ndarray] = None, - use_numexpr: bool = True, -): - """ - Helper function to handle rotation computation using either numexpr or numpy. - - Parameters - ---------- - step_000 : np.ndarray - Array containing the 000 component of the waveforms. - step_090 : np.ndarray - Array containing the 090 component of the waveforms. - theta : np.ndarray - Array containing the angles at which to rotate the components. - out : np.ndarray, optional - Array to store the output of the computation, by default None. - use_numexpr : bool, optional - Use numexpr for computation, by default True. - """ - if use_numexpr: - return ne.evaluate( - "abs(comp_000 * cos(theta) + comp_090 * sin(theta))", - { - "comp_000": step_000[..., np.newaxis], - "theta": theta[np.newaxis, ...], - "comp_090": step_090[..., np.newaxis], - }, - # The out parameter should accept None, but doesn't because of a bug in numexpr - out=out, # type: ignore - ) - else: - return np.abs( - step_000[..., np.newaxis] * np.cos(theta)[np.newaxis, ...] - + step_090[..., np.newaxis] * np.sin(theta)[np.newaxis, ...] - ) - - -def rotd_psa_values( - comp_000: npt.NDArray[np.float32], - comp_090: npt.NDArray[np.float32], - w: npt.NDArray[np.float32], - use_numexpr: bool = True, -) -> npt.NDArray[np.float32]: - """Compute rotated pseudo-spectral acceleration statistics. - - Parameters - ---------- - comp_000 : ndarray of float32 with shape `(n_periods, n_stations, n_timesteps)` - PSA in 000 component (cm/s^2). - comp_090 : ndarray of float32 with shape `(n_periods, n_stations, n_timesteps)` - PSA in 090 component (cm/s^2). - w : ndarray of float32 - Natural angular frequencies of oscillators (Hz). - use_numexpr : bool, optional - Use numexpr for computation, by default True. - - Returns - ------- - ndarray of float32 with shape `(n_stations, n_periods, 3)` - Array containing minimum (rotd0), median (rotd50) and maximum (rotd100) PSA values. - """ - theta = np.linspace(0, np.pi, num=180, dtype=np.float32) - psa = np.zeros((comp_000.shape[0], comp_000.shape[-1], 3), dtype=np.float32) - out = np.zeros((comp_000.shape[0], *comp_000.shape[1:], 180), dtype=np.float32) - w2 = np.square(w, dtype=np.float32) - - psa = np.transpose( - np.percentile( - np.max( - rotate_components( - comp_000, - comp_090, - theta, - out=out[: len(comp_000)], - use_numexpr=use_numexpr, - )[: len(comp_000)], - axis=1, - ), - [0, 50, 100], - axis=-1, - ), - [1, 2, 0], - ).astype(np.float32) - - del out - gc.collect() # This is required because Python's GC is too lazy to remove the out array when it should - return w2[np.newaxis, :, np.newaxis] * psa - - def pseudo_spectral_acceleration( - waveforms: npt.NDArray[np.float32], - periods: npt.NDArray[np.float32], - dt: np.float32, + waveforms: ChunkedWaveformArray, + periods: Array1D, + dt: np.float64, psa_rotd_maximum_memory_allocation: Optional[float] = None, cores: int = multiprocessing.cpu_count(), - use_numexpr: bool = True, + step: int | None = None, + use_tqdm: bool = False, ) -> xr.DataArray: - """Compute pseudo-spectral acceleration statistics for waveforms. + """Compute pseudo-spectral acceleration (PSA) statistics. + + Calculates PSA for single-degree-of-freedom oscillators across various + periods using the Newmark-beta method and computes rotated (RotD) statistics. Parameters ---------- - waveforms : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms array (g). - periods : ndarray of float32 - Periods for PSA computation (s). These correspond to SDOF oscillator natural frequencies. - dt : float - Timestep resolution of waveform array (s). + waveforms : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). + periods : Array1 + Natural periods of the oscillators (s). + dt : np.float64 + Timestep resolution of the waveforms (s). psa_rotd_maximum_memory_allocation : float, optional - Maximum memory allocation for PSA rotation calculations (bytes). + Target maximum memory limit for rotation calculations. cores : int, optional - Number of CPU cores to use, by default all available cores. - use_numexpr : bool, optional - Use numexpr for computation, by default True. + Number of CPU cores for parallel processing via Rayon. + step : int, optional + Station chunk size for processing. Defaults to `cores` if None. + use_tqdm : bool, optional + Whether to display a progress bar. Returns ------- xr.DataArray - DataArray containing PSA statistics for each - station, period and component ['000', '090', 'ver', 'geom', 'rotd0', 'rotd50', 'rotd100']. + A 3D DataArray (component, period, station) containing PSA for + ['000', '090', 'ver', 'geom', 'rotd0', 'rotd50', 'rotd100']. """ - w = 2 * np.pi / periods - - # Step size is the minimum of either the CPU count, or the maximum number of - # steps that fits within the psa_rotd_maximum_memory_allocation. - if psa_rotd_maximum_memory_allocation: - step = min( - int( - psa_rotd_maximum_memory_allocation - / (180 * len(w) * waveforms[0].nbytes) - ), - cores, - ) - else: - step = cores - if step < 1: - raise ValueError( - "PSA rotd memory allocation is too small (cannot even calculate a single station's pSA)." - ) - - rotd_psa = np.zeros((waveforms.shape[0], len(w), 3), dtype=np.float32) - - comp_0_psa = np.zeros((waveforms.shape[0], len(w)), dtype=np.float32) - comp_90_psa = np.zeros((waveforms.shape[0], len(w)), dtype=np.float32) - comp_ver_psa = np.zeros((waveforms.shape[0], len(w)), dtype=np.float32) - - for i in range(0, waveforms.shape[0], step): - comp_0 = newmark_estimate_psa( - waveforms[i : i + step, :, Component.COMP_0.value], - dt, - w, - ) - - comp_90 = newmark_estimate_psa( - waveforms[i : i + step, :, Component.COMP_90.value], - dt, - w, - ) - - rotd_psa[i : i + step, :, :] = rotd_psa_values( - comp_0, comp_90, w, use_numexpr=use_numexpr + waveforms = np.ascontiguousarray(waveforms) + angular_frequencies = 2 * np.pi / periods + + # Step size *used* to be based on the cores available but that no + # longer holds because Rayon, the rust parallel work scheduler, + # manages this on its own. So the real bound on step size is now + # how much memory we have available. + step = step or cores + n_stations = waveforms.shape[1] + n_frequencies = len(angular_frequencies) + rotd_psa = np.zeros((n_frequencies, n_stations, 3), dtype=np.float64) + + comp_0_psa = np.zeros((n_frequencies, n_stations), dtype=np.float64) + comp_90_psa = np.zeros((n_frequencies, n_stations), dtype=np.float64) + comp_ver_psa = np.zeros((n_frequencies, n_stations), dtype=np.float64) + xi = 0.05 + with environment(RAYON_NUM_THREADS=str(cores)): + station_iter = range(0, n_stations, step) + n_steps = len(station_iter) * len(angular_frequencies) + station_period_iterator = itertools.product( + range(len(angular_frequencies)), station_iter ) + # Coverage tests don't cover this interactive usage (because + # it doesn't change the calculations). + if use_tqdm: # pragma no cover + station_period_iterator = tqdm.tqdm(station_period_iterator, total=n_steps) + j_last: int | None = None + for j, i in station_period_iterator: + w = angular_frequencies[j] + if use_tqdm and j_last != j: # pragma: no cover + assert isinstance(station_period_iterator, tqdm.tqdm) + j_last = j + t0 = periods[j] + station_period_iterator.set_description(f"Period {t0:g}") + + comp_0_chunk = waveforms[Component.COMP_0.value, i : i + step].astype( + np.float64 + ) + comp_90_chunk = waveforms[Component.COMP_90.value, i : i + step].astype( + np.float64 + ) + comp_0_response = _core._newmark_beta_method(comp_0_chunk, dt, w, xi) + comp_90_response = _core._newmark_beta_method(comp_90_chunk, dt, w, xi) + conversion_factor = w * w - conversion_factor = np.square(w)[np.newaxis, :] - comp_0_psa[i : i + step, :] = conversion_factor * np.abs(comp_0).max(axis=1) - comp_90_psa[i : i + step, :] = conversion_factor * np.abs(comp_90).max(axis=1) + rotd_psa[j, i : i + step] = conversion_factor * _core._rotd_parallel( + comp_0_response, comp_90_response + ) - comp_ver_psa[i : i + step, :] = conversion_factor * np.abs( - newmark_estimate_psa( - waveforms[i : i + step, :, Component.COMP_VER.value], dt, w + comp_0_psa[j, i : i + step] = conversion_factor * np.abs( + comp_0_response + ).max(axis=1) + comp_90_psa[j, i : i + step] = conversion_factor * np.abs( + comp_90_response + ).max(axis=1) + + z = waveforms[Component.COMP_VER.value, i : i + step].astype(np.float64) + z_response = _core._newmark_beta_method(z, dt, w, xi) + comp_ver_psa[j, i : i + step] = conversion_factor * np.abs(z_response).max( + axis=1 ) - ).max(axis=1) geom_psa = np.sqrt(comp_0_psa * comp_90_psa) @@ -313,157 +204,92 @@ def pseudo_spectral_acceleration( axis=0, ), name=IM.pSA.value, - dims=("component", "station", "period"), + dims=( + "component", + "period", + "station", + ), coords={ - "station": np.arange(waveforms.shape[0]), + "station": np.arange(waveforms.shape[1]), "period": periods, "component": ["000", "090", "ver", "geom", "rotd0", "rotd50", "rotd100"], }, ) -def compute_intensity_measure_rotd( - waveforms: npt.NDArray[np.float32], - intensity_measure: Callable, - use_numexpr: bool = True, -) -> pd.DataFrame: - """Compute rotated intensity measure statistics for multiple waveforms. - - Parameters - ---------- - waveforms : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms array (g). - intensity_measure : callable - Function that computes the intensity measure. Should accept a 2D array - of shape `(n_stations, n_timesteps)` and return a 1D array of shape - `(n_stations,)`. - use_numexpr : bool, optional - Use numexpr for computation, by default True. - - Returns - ------- - pandas.DataFrame with columns `['000', '090', 'ver', 'geom', 'rotd100', 'rotd50', 'rotd0']` - DataFrame containing intensity measure statistics. Each row represents - statistics for a single station. - """ - (stations, _, _) = waveforms.shape - values = np.zeros(shape=(stations, 180), dtype=waveforms.dtype) - - comp_0 = waveforms[:, :, Component.COMP_0.value] - comp_90 = waveforms[:, :, Component.COMP_90.value] - for i in range(180): - theta = np.deg2rad(i).astype(np.float32) - - if use_numexpr: - values[:, i] = intensity_measure( - ne.evaluate( - "cos(theta) * comp_0 + sin(theta) * comp_90", - {"comp_0": comp_0, "comp_90": comp_90, "theta": theta}, - ), - ) - else: - values[:, i] = intensity_measure( - np.cos(theta) * comp_0 + np.sin(theta) * comp_90 - ) - - comp_0 = values[:, 0] - comp_90 = values[:, 90] - comp_ver = waveforms[:, :, Component.COMP_VER.value] - ver = intensity_measure(comp_ver) - rotated_max = np.max(values, axis=1) - rotated_median = np.median(values, axis=1) - rotated_min = np.min(values, axis=1) - return pd.DataFrame( - { - "000": comp_0, - "090": comp_90, - "ver": ver, - "geom": np.sqrt(comp_0 * comp_90), - "rotd100": rotated_max, - "rotd50": rotated_median, - "rotd0": rotated_min, - } - ) - - -@numba.njit(parallel=True, cache=True) -def trapz( - waveforms: npt.NDArray[np.float32], dt: float -) -> npt.NDArray[np.float32]: # pragma: no cover - """Compute parallel trapezium numerical integration. - - Parameters - ---------- - waveforms : ndarray of float32 with shape `(n_stations, n_timesteps)` - Waveform accelerations to integrate (units). - dt : float - Timestep resolution of the waveform array (t). - - Returns - ------- - ndarray of float32 with shape (n_stations,) - Integrated values for each waveform (units-sec). - - Notes - ----- - This is a parallel implementation equivalent to np.trapz, optimized for - performance with numba. - """ - sums = np.zeros((waveforms.shape[0],), np.float32) - for i in numba.prange(waveforms.shape[0]): # type: ignore - for j in range(waveforms.shape[1]): - if j == 0 or j == waveforms.shape[1] - 1: - sums[i] += waveforms[i, j] / 2 - else: - sums[i] += waveforms[i, j] - return sums * dt - - def significant_duration( - waveforms: npt.NDArray[np.float32], + waveforms: ChunkedWaveformArray, dt: float, percent_low: float, percent_high: float, - use_numexpr: bool = True, -) -> npt.NDArray[np.float32]: + cores: int, +) -> pd.DataFrame: """Compute significant duration based on Arias Intensity accumulation. Parameters ---------- - waveforms : ndarray of float32 with shape `(n_stations, n_timesteps)` - Waveform accelerations (g). + waveforms : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). dt : float - Timestep resolution of the waveform array (s). + Timestep resolution (s). percent_low : float - Lower bound percentage for significant duration (e.g., 5 for 5%). + Lower bound percentage (e.g., 5.0 for 5%). percent_high : float - Upper bound percentage for significant duration (e.g., 95 for 95%). - use_numexpr : bool, optional - Use numexpr for computation, by default True. + Upper bound percentage (e.g., 95.0 for 95%). + cores : int + Number of CPU cores for parallel execution. Returns ------- - ndarray of float32 - Significant duration values in seconds. Shape: (n_stations,). + pd.DataFrame + Significant duration (s) for components ['000', '090', 'ver', 'geom']. """ - arias_intensity = _cumulative_arias_intensity(waveforms, dt) - arias_intensity /= arias_intensity[:, -1][:, np.newaxis] - if use_numexpr: - sum_mask = ne.evaluate( - "(arias_intensity >= percent_low / 100) & (arias_intensity <= percent_high / 100)" + (_, n_stations, _) = waveforms.shape + comp_0 = waveforms[Component.COMP_0] + comp_90 = waveforms[Component.COMP_90] + comp_ver = waveforms[Component.COMP_VER] + quant_low = percent_low / 100 + quant_high = percent_high / 100 + + if ( + cores == 1 or n_stations < 1000 + ): # from benchmarks: for < 1000 stations the parallel overhead is not worth it. + significant_duration_0 = _core._significant_duration( + comp_0, dt, quant_low, quant_high ) - else: - sum_mask = (arias_intensity >= percent_low / 100) & ( - arias_intensity <= percent_high / 100 + significant_duration_90 = _core._significant_duration( + comp_90, dt, quant_low, quant_high ) - threshold_values = np.count_nonzero(sum_mask, axis=1) * dt - return threshold_values.ravel() + significant_duration_ver = _core._significant_duration( + comp_ver, dt, quant_low, quant_high + ) + else: + # Testing is not big enough for multi-core execution so this codepath is not covered. + with environment(RAYON_NUM_THREADS=str(cores)): # pragma: no cover + significant_duration_0 = _core._parallel_significant_duration( + comp_0, dt, quant_low, quant_high + ) + significant_duration_90 = _core._parallel_significant_duration( + comp_90, dt, quant_low, quant_high + ) + significant_duration_ver = _core._parallel_significant_duration( + comp_ver, dt, quant_low, quant_high + ) + + return pd.DataFrame( + { + "000": significant_duration_0, + "090": significant_duration_90, + "ver": significant_duration_ver, + "geom": np.sqrt(significant_duration_0 * significant_duration_90), + } + ) def fourier_amplitude_spectra( - waveforms: npt.NDArray[np.float32], + waveforms: ChunkedWaveformArray, dt: float, - freqs: npt.NDArray[np.float32], + freqs: npt.NDArray[np.float64], ko_directory: Path, cores: int = multiprocessing.cpu_count(), ) -> xr.DataArray: @@ -474,11 +300,11 @@ def fourier_amplitude_spectra( Parameters ---------- - waveforms : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` + waveforms : ndarray of float64 with shape `(n_components, n_stations, n_timesteps)` Waveform array (g). dt : float Timestep resolution of the waveforms (s). - freqs : ndarray of float32 + freqs : ndarray of float64 Frequencies at which to compute FAS (Hz). ko_directory : Path Directory containing precomputed Konno-Ohmachi matrices. @@ -500,10 +326,7 @@ def fourier_amplitude_spectra( ) freqs = freqs[freqs <= nyquist_frequency] - n_fft = 2 ** int(np.ceil(np.log2(waveforms.shape[1]))) - # Swap the first and last axes to ensure array has shape - # (n_components, n_stations, nt) or (n_components, nt). - waveforms = np.moveaxis(waveforms, -1, 0) + n_fft = 2 ** int(np.ceil(np.log2(waveforms.shape[-1]))) # Essential! Repack the waveform array so that the rows are # contiguous in memory. waveforms = np.ascontiguousarray(waveforms) @@ -568,192 +391,115 @@ def fourier_amplitude_spectra( ) -@numba.njit(parallel=True, cache=True) -def _cumulative_absolute_velocity( - waveform: npt.NDArray[np.float32], dt: float -) -> npt.NDArray[np.float32]: # pragma: no cover - """Compute Cumulative Absolute Velocity (CAV) of waveforms. - - Parameters - ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps)` - Waveform accelerations (g). - dt : float - Timestep resolution of the waveform array (s). - - Returns - ------- - ndarray of float32 with shape `(n_stations,)` - CAV values for each waveform (m/s). - - Notes - ----- - Implementation optimized by Jérôme Richard[0]_ for accurate integration of - signals with sign changes. - - References - ---------- - .. [0] https://stackoverflow.com/questions/79164983/numerically-integrating-signals-with-absolute-value/79173972#79173972 - """ - cav = np.zeros((waveform.shape[0],), dtype=np.float32) - dtf = np.float32(dt) - half = np.float32(0.5) - for i in numba.prange(np.int32(waveform.shape[0])): # type: ignore - tmp = np.float32(0) - for j in range(np.int32(waveform.shape[1] - 1)): - v1 = waveform[i, j] - v2 = waveform[i, j + 1] - if min(v1, v2) >= 0 or max(v1, v2) <= 0: - tmp += dtf * (np.abs(v1) + np.abs(v2)) - else: - inv_slope = dtf / (v2 - v1) - x0 = -v1 * inv_slope - tmp += x0 * np.abs(v1) + (dtf - x0) * np.abs(v2) - cav[i] = tmp * half - g = np.float32(9.81) - return g * cav - - -@numba.njit(parallel=True, cache=True) -def _arias_intensity( - waveform: npt.NDArray[np.float32], dt: float -) -> npt.NDArray[np.float32]: # pragma: no cover - """Compute Arias Intensity (AI) of waveforms. - - Parameters - ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps)` - Waveform accelerations (g). - dt : float - Timestep resolution of the waveform array (s). - - Returns - ------- - ndarray of float32 with shape `(n_stations,)` - AI values for each waveform (m/s). - """ - ai = np.zeros((waveform.shape[0],), dtype=np.float32) - dtf = np.float32(dt) - half = np.float32(0.5) - for i in numba.prange(np.int32(waveform.shape[0])): # type: ignore - tmp = np.float32(0) - for j in range(np.int32(waveform.shape[1] - 1)): - v1 = waveform[i, j] - v2 = waveform[i, j + 1] - if min(v1, v2) >= 0 or max(v1, v2) <= 0: - tmp += dtf * (np.square(v1) + np.square(v2)) - else: - inv_slope = dtf / (v2 - v1) - x0 = -v1 * inv_slope - tmp += x0 * np.square(v1) + (dtf - x0) * np.square(v2) - ai[i] = tmp * half - g = np.float32(9.81) - return np.pi * half * g * ai - - -@numba.njit(parallel=True, cache=True) -def _cumulative_arias_intensity( - waveform: npt.NDArray[np.float32], dt: float -) -> npt.NDArray[np.float32]: # pragma: no cover - """Compute the cumulative Arias Intensity (AI) of a waveform. +def compute_intensity_measure_rotd( + waveforms: ChunkedWaveformArray, cores: int +) -> pd.DataFrame: + """Generic wrapper to compute peak values and RotD statistics for IMs. Parameters ---------- - waveform : npt.NDArray[np.float32] - A 3D array of shape `(n_stations, n_samples, n_components)` for each - waveform in each measured component (g). - dt : float - The time step (in seconds) between consecutive samples in the waveform (s). + waveforms : ChunkedWaveformArray + Waveform data with shape (n_components, n_stations, nt). + cores : int + Number of CPU cores for parallel rotation computation. Returns ------- - npt.NDArray[np.float32] - A 1D array of shape `(n_signals,)` containing the AI values for each - input waveform. + pd.DataFrame + Peak ground values with columns ['000', '090', 'ver', 'geom', + 'rotd100', 'rotd50', 'rotd0']. """ - ai = np.zeros_like(waveform, dtype=np.float32) - dtf = np.float32(dt) - half = np.float32(0.5) - for i in numba.prange(np.int32(waveform.shape[0])): # type: ignore - tmp = np.float32(0) - for j in range(np.int32(waveform.shape[1] - 1)): - v1 = waveform[i, j] - v2 = waveform[i, j + 1] - if min(v1, v2) >= 0 or max(v1, v2) <= 0: - tmp += dtf * (np.square(v1) + np.square(v2)) - else: - inv_slope = dtf / (v2 - v1) - x0 = -v1 * inv_slope - tmp += x0 * np.square(v1) + (dtf - x0) * np.square(v2) - - ai[i, j + 1] = tmp - - g = np.float32(9.81) - return ai * np.pi * half * g + comp_0 = waveforms[Component.COMP_0] + comp_90 = waveforms[Component.COMP_90] + comp_ver = waveforms[Component.COMP_VER] + if cores == 1: + rotd_stats = _core._rotd(comp_0, comp_90) + else: + with environment(RAYON_NUM_THREADS=str(cores)): + rotd_stats = _core._rotd_parallel(comp_0, comp_90) + pga_comp_0 = np.abs(comp_0).max(axis=1) + pga_comp_90 = np.abs(comp_90).max(axis=1) + pga_ver = np.abs(comp_ver).max(axis=1) + rotd0 = rotd_stats[:, 0] + rotd50 = rotd_stats[:, 1] + rotd100 = rotd_stats[:, 2] + return pd.DataFrame( + { + "000": pga_comp_0, + "090": pga_comp_90, + "ver": pga_ver, + "geom": np.sqrt(pga_comp_0 * pga_comp_90), + "rotd100": rotd100, + "rotd50": rotd50, + "rotd0": rotd0, + } + ) def peak_ground_acceleration( - waveform: npt.NDArray[np.float32], use_numexpr: bool = True + waveform: ChunkedWaveformArray, cores: int ) -> pd.DataFrame: - """Compute Peak Ground Acceleration (PGA) for waveforms. + """Compute Peak Ground Acceleration (PGA) in g. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms in g units. - use_numexpr : bool, optional - Use numexpr for computation, by default True. + waveform : ChunkedWaveformArray + Acceleration waveforms with shape (n_components, n_stations, nt). + cores : int + Number of CPU cores for parallel processing. Returns ------- - pandas.DataFrame with columns `['000', '090', 'ver', 'geom', 'rotd100', 'rotd50', 'rotd0']` - DataFrame containing PGA values with rotated components in g-units. + pd.DataFrame + PGA values (g) for standard and rotated components. """ - return compute_intensity_measure_rotd( - waveform, lambda v: np.abs(v).max(axis=1), use_numexpr=use_numexpr - ) + if waveform.ndim != 3: + raise TypeError( + f"Waveform must have shape (n_components, n_stations, nt), but {waveform.shape=}" + ) + elif waveform.dtype != np.float64: + raise TypeError(f"Waveform must have dtype float64, but {waveform.dtype=}") + return compute_intensity_measure_rotd(waveform, cores=cores) def peak_ground_velocity( - waveform: npt.NDArray[np.float32], dt: float, use_numexpr: bool = True + waveform: ChunkedWaveformArray, dt: float, cores: int ) -> pd.DataFrame: - """Compute Peak Ground Velocity (PGV) for waveforms. + """Compute Peak Ground Velocity (PGV) in cm/s via trapezoidal integration. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms in g units. + waveform : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). dt : float - Timestep resolution of the waveform array. - use_numexpr: bool, optional - Use numexpr for computation, by default True. + Timestep resolution (s). + cores : int + Number of CPU cores for parallel processing. Returns ------- - pandas.DataFrame with columns `['000', '090', 'ver', 'geom', 'rotd100', 'rotd50', 'rotd0']` - DataFrame containing PGV values with rotated components. Values are - in cm/s. + pd.DataFrame + PGV values (cm/s) for standard and rotated components. """ g = 981 return compute_intensity_measure_rotd( - sp.integrate.cumulative_trapezoid(waveform, dx=dt, axis=1), - lambda v: g * np.abs(v).max(axis=1), - use_numexpr=use_numexpr, + g * sp.integrate.cumulative_trapezoid(waveform, dx=dt, axis=-1), cores=cores ) + def peak_ground_displacement( - waveform: npt.NDArray[np.float32], dt: float, use_numexpr: bool = True + waveform: ChunkedWaveformArray, dt: float, cores: int ) -> pd.DataFrame: """Compute Peak Ground Displacement (PGD) for waveforms. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` + waveform : ChunkedWaveformArray Acceleration waveforms in g units. dt : float Timestep resolution of the waveform array. - use_numexpr: bool, optional - Use numexpr for computation, by default True. + cores : int + Number of CPU cores for parallel processing. Returns ------- @@ -763,49 +509,59 @@ def peak_ground_displacement( """ g = 981 # Integrate twice to get displacement in cm - velocity = sp.integrate.cumulative_trapezoid(waveform, dx=dt, axis=1, initial=0) - displacement = sp.integrate.cumulative_trapezoid(velocity, dx=dt, axis=1, initial=0) - return compute_intensity_measure_rotd( - displacement, - lambda v: g * np.abs(v).max(axis=1), - use_numexpr=use_numexpr, + velocity = sp.integrate.cumulative_trapezoid(waveform, dx=dt, axis=-1, initial=0) + # In-place multiplication to avoid yet another allocation + np.multiply(g, velocity, out=velocity) + displacement = sp.integrate.cumulative_trapezoid( + velocity, dx=dt, axis=-1, initial=0 ) + return compute_intensity_measure_rotd(displacement, cores=cores) def cumulative_absolute_velocity( - waveform: npt.NDArray[np.float32], dt: float, threshold: Optional[float] = None + waveform: ChunkedWaveformArray, + dt: float, + cores: int, + threshold: float | None = None, ) -> pd.DataFrame: - """Compute Cumulative Absolute Velocity (CAV) for waveforms. + """Compute Cumulative Absolute Velocity (CAV) in m/s. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms (g). + waveform : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). dt : float - Timestep resolution of the waveform array (s). + Timestep resolution (s). + cores : int + Number of CPU cores for parallel processing. threshold : float, optional - The minimum acceleration threshold, in cm/s^2. CAV5 is found by using - `threshold` = 5. Acceleration values below `threshold` are set to zero. + Acceleration threshold ($cm/s^2$). Values below this are ignored (e.g. 5 for CAV5). Returns ------- - pandas.DataFrame with columns `['000', '090', 'ver', 'geom', 'rotd100', 'rotd50', 'rotd0']` - DataFrame containing CAV values (m/s) with rotated components. + pd.DataFrame + CAV values (m/s) for ['000', '090', 'ver', 'geom']. """ - comp_0 = waveform[:, :, Component.COMP_0] - comp_90 = waveform[:, :, Component.COMP_90] - comp_ver = waveform[:, :, Component.COMP_VER] + comp_0 = waveform[Component.COMP_0] + comp_90 = waveform[Component.COMP_90] + comp_ver = waveform[Component.COMP_VER] if threshold: g = 981 - comp_0 = np.where(np.abs(comp_0) < threshold / g, np.float32(0), comp_0) - comp_90 = np.where(np.abs(comp_90) < threshold / g, np.float32(0), comp_90) - comp_ver = np.where(np.abs(comp_ver) < threshold / g, np.float32(0), comp_ver) - - comp_0_cav = _cumulative_absolute_velocity(comp_0, dt) - comp_90_cav = _cumulative_absolute_velocity(comp_90, dt) - comp_ver_cav = _cumulative_absolute_velocity(comp_ver, dt) + comp_0 = np.where(np.abs(comp_0) < threshold / g, np.float64(0), comp_0) + comp_90 = np.where(np.abs(comp_90) < threshold / g, np.float64(0), comp_90) + comp_ver = np.where(np.abs(comp_ver) < threshold / g, np.float64(0), comp_ver) + + if cores == 1: + comp_0_cav = _core._cav(comp_0, dt) + comp_90_cav = _core._cav(comp_90, dt) + comp_ver_cav = _core._cav(comp_ver, dt) + else: + with environment(RAYON_NUM_THREADS=str(cores)): + comp_0_cav = _core._parallel_cav(comp_0, dt) + comp_90_cav = _core._parallel_cav(comp_90, dt) + comp_ver_cav = _core._parallel_cav(comp_ver, dt) return pd.DataFrame( { @@ -817,109 +573,84 @@ def cumulative_absolute_velocity( ) -def arias_intensity(waveform: npt.NDArray[np.float32], dt: float) -> pd.DataFrame: - """Compute Arias Intensity (AI) for waveforms. +def arias_intensity( + waveform: ChunkedWaveformArray, dt: float, cores: int +) -> pd.DataFrame: + """Compute Arias Intensity (AI) in m/s. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms (g). + waveform : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). dt : float - Timestep resolution of the waveform array (s). + Timestep resolution (s). + cores : int + Number of CPU cores for parallel processing. Returns ------- - pandas.DataFrame with columns `['intensity_measure', '000', '090', 'ver', 'geom']` - DataFrame containing Arias Intensity values (m/s). The 'geom' component - is the geometric mean of the 000 and 090 components. + pd.DataFrame + AI values (m/s) for ['000', '090', 'ver', 'geom']. """ - arias_intensity_0 = _arias_intensity(waveform[:, :, Component.COMP_0.value], dt) - arias_intensity_90 = _arias_intensity(waveform[:, :, Component.COMP_90.value], dt) - arias_intensity_ver = _arias_intensity(waveform[:, :, Component.COMP_VER.value], dt) + comp_0 = waveform[Component.COMP_0] + comp_90 = waveform[Component.COMP_90] + comp_ver = waveform[Component.COMP_VER] + + if cores == 1: + comp_0_ai = _core._arias_intensity(comp_0, dt) + comp_90_ai = _core._arias_intensity(comp_90, dt) + comp_ver_ai = _core._arias_intensity(comp_ver, dt) + else: + with environment(RAYON_NUM_THREADS=str(cores)): + comp_0_ai = _core._parallel_arias_intensity(comp_0, dt) + comp_90_ai = _core._parallel_arias_intensity(comp_90, dt) + comp_ver_ai = _core._parallel_arias_intensity(comp_ver, dt) return pd.DataFrame( { - "000": arias_intensity_0, - "090": arias_intensity_90, - "ver": arias_intensity_ver, - "geom": np.sqrt(arias_intensity_0 * arias_intensity_90), + "000": comp_0_ai, + "090": comp_90_ai, + "ver": comp_ver_ai, + "geom": np.sqrt(comp_0_ai * comp_90_ai), } ) -def ds575( - waveform: npt.NDArray[np.float32], dt: float, use_numexpr: bool = True -) -> pd.DataFrame: - """Compute 5-75% Significant Duration (DS575) for waveforms. +def ds575(waveform: ChunkedWaveformArray, dt: float, cores: int) -> pd.DataFrame: + """Compute 5-75% Significant Duration (DS575) in seconds. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms (g). + waveform : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). dt : float - Timestep resolution of the waveform array (s). - use_numexpr: bool, optional - Use numexpr for computation, by default True. + Timestep resolution (s). + cores : int + Number of CPU cores for parallel processing. Returns ------- - pandas.DataFrame with columns `['000', '090', 'ver', 'geom', 'rotd100', 'rotd50', 'rotd0']` - DataFrame containing DS575 values (in seconds) with rotated components. + pd.DataFrame + Duration values (s) for ['000', '090', 'ver', 'geom']. """ - significant_duration_0 = significant_duration( - waveform[:, :, Component.COMP_0.value], dt, 5, 75, use_numexpr - ) - significant_duration_90 = significant_duration( - waveform[:, :, Component.COMP_90.value], dt, 5, 75, use_numexpr - ) - significant_duration_ver = significant_duration( - waveform[:, :, Component.COMP_VER.value], dt, 5, 75, use_numexpr - ) - - return pd.DataFrame( - { - "000": significant_duration_0, - "090": significant_duration_90, - "ver": significant_duration_ver, - "geom": np.sqrt(significant_duration_0 * significant_duration_90), - } - ) + return significant_duration(waveform, dt, 5, 75, cores) -def ds595( - waveform: npt.NDArray[np.float32], dt: float, use_numexpr: bool = True -) -> pd.DataFrame: - """Compute 5-95% Significant Duration (DS595) for waveforms. +def ds595(waveform: ChunkedWaveformArray, dt: float, cores: int) -> pd.DataFrame: + """Compute 5-95% Significant Duration (DS595) in seconds. Parameters ---------- - waveform : ndarray of float32 with shape `(n_stations, n_timesteps, n_components)` - Acceleration waveforms (g). + waveform : ChunkedWaveformArray + Acceleration waveforms (g) with shape (n_components, n_stations, nt). dt : float - Timestep resolution of the waveform array (s). - use_numexpr: bool, optional - Use numexpr for computation, by default True. + Timestep resolution (s). + cores : int + Number of CPU cores for parallel processing. Returns ------- - pandas.DataFrame with columns `['000', '090', 'ver', 'geom', 'rotd100', 'rotd50', 'rotd0']` - DataFrame containing DS595 values (in seconds) with rotated components. + pd.DataFrame + Duration values (s) for ['000', '090', 'ver', 'geom']. """ - significant_duration_0 = significant_duration( - waveform[:, :, Component.COMP_0.value], dt, 5, 95, use_numexpr - ) - significant_duration_90 = significant_duration( - waveform[:, :, Component.COMP_90.value], dt, 5, 95, use_numexpr - ) - significant_duration_ver = significant_duration( - waveform[:, :, Component.COMP_VER.value], dt, 5, 95, use_numexpr - ) - - return pd.DataFrame( - { - "000": significant_duration_0, - "090": significant_duration_90, - "ver": significant_duration_ver, - "geom": np.sqrt(significant_duration_0 * significant_duration_90), - } - ) + return significant_duration(waveform, dt, 5, 95, cores) diff --git a/IM/ko_matrices.py b/IM/ko_matrices.py index 2784ae0b..372a24f8 100644 --- a/IM/ko_matrices.py +++ b/IM/ko_matrices.py @@ -1,3 +1,5 @@ +"""KO matrix generation module""" + from pathlib import Path import numpy as np diff --git a/IM/scripts/__init__.py b/IM/scripts/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/IM/scripts/calculate_ims.py b/IM/scripts/calculate_ims.py index 6c3681b6..03da003d 100644 --- a/IM/scripts/calculate_ims.py +++ b/IM/scripts/calculate_ims.py @@ -1,3 +1,5 @@ +"""ASCII IM Calculation script - entrypoint""" + import multiprocessing from pathlib import Path from typing import Annotated diff --git a/IM/snr_calculation.py b/IM/snr_calculation.py index e1200be0..28e90a4f 100644 --- a/IM/snr_calculation.py +++ b/IM/snr_calculation.py @@ -1,3 +1,5 @@ +"""Waveform SNR calculation""" + import multiprocessing from pathlib import Path from typing import NamedTuple @@ -79,31 +81,34 @@ def calculate_snr( """ # This extra time is to ensure that when a taper is applied, the signal part of the waveform # is not affected by the tapering. The tapering is applied to the signal and noise separately. - tp_extra = waveform[:, tp:].shape[1] / 19 + (_, _, nt) = waveform.shape + tp_extra = (nt - tp) / 19 # Round up the tp_extra to the nearest highest integer tp_extra = int(np.ceil(tp_extra)) # Calculate signal and noise areas - signal_acc, noise_acc = waveform[:, max(tp - tp_extra, 0) :], waveform[:, :tp] - signal_duration, noise_duration = signal_acc.shape[1] * dt, noise_acc.shape[1] * dt + signal_duration, noise_duration = (nt - max(tp - tp_extra, 0), tp) + + signal_acc, noise_acc = ( + waveform[:, :, nt - signal_duration :], + waveform[:, :, :noise_duration], + ) # Ensure the noise is not shorter than 1s, if not then skip the calculation if noise_duration < 1: raise ValueError("Noise duration is less than 1s") # Apply Taper - taper_signal_acc = ( - sp.signal.windows.tukey(signal_acc.shape[1], alpha=0.05).reshape(-1, 1) - * signal_acc[:] + taper_signal_acc = signal_acc * sp.signal.windows.tukey( + signal_acc.shape[-1], alpha=0.05 ) - taper_noise_acc = ( - sp.signal.windows.tukey(noise_acc.shape[1], alpha=0.05).reshape(-1, 1) - * noise_acc[:] + taper_noise_acc = noise_acc * sp.signal.windows.tukey( + noise_acc.shape[-1], alpha=0.05 ) - # Ensure float 32 for the waveform - taper_signal_acc = taper_signal_acc.astype(np.float32) - taper_noise_acc = taper_noise_acc.astype(np.float32) + # Ensure float 64 for the waveform + taper_signal_acc = taper_signal_acc.astype(np.float64) + taper_noise_acc = taper_noise_acc.astype(np.float64) # Generate FFT for the signal and noise fas_signal = ims.fourier_amplitude_spectra( @@ -126,12 +131,12 @@ def calculate_snr( # Create FAS noise and signal DataFrames with 000, 090 and ver fas_signal_df = fas_signal.to_dataframe().unstack(level="component") fas_signal_df.index = fas_signal.coords["frequency"].values - fas_signal_df.columns = fas_signal_df.columns.droplevel(0) + fas_signal_df.columns = fas_signal_df.columns.droplevel(0) # type: ignore[invalid-assignment] fas_signal_df = fas_signal_df[["000", "090", "ver"]] fas_noise_df = fas_noise.to_dataframe().unstack(level="component") fas_noise_df.index = fas_noise.coords["frequency"].values - fas_noise_df.columns = fas_noise_df.columns.droplevel(0) + fas_noise_df.columns = fas_noise_df.columns.droplevel(0) # type: ignore[invalid-assignment] fas_noise_df = fas_noise_df[["000", "090", "ver"]] assert isinstance(snr_df, pd.DataFrame) diff --git a/IM/waveform_reading.py b/IM/waveform_reading.py index 742ef2b5..19b7a688 100644 --- a/IM/waveform_reading.py +++ b/IM/waveform_reading.py @@ -1,3 +1,5 @@ +"""ASCII Waveform reading code.""" + from pathlib import Path import numpy as np @@ -91,12 +93,13 @@ def read_ascii( delta = pd.read_csv(file_000, sep=r"\s+", header=None, nrows=2, skiprows=1).iloc[ 0, 1 ] + assert isinstance(delta, float) if np.any(np.isnan(waveform_data)): raise ValueError("Components contain NaN values.") - # Ensure dtype is float 32 - waveform_data = waveform_data.astype(np.float32) + # Ensure dtype is float 64 + waveform_data = waveform_data.astype(np.float64) # Reshape the waveform to have the correct shape for the IM calculation reshaped_waveform = waveform_data[np.newaxis, :, :] diff --git a/MANIFEST.in b/MANIFEST.in index 762457c4..05637b66 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -2,3 +2,5 @@ prune tests prune wiki prune .github prune examples +exclude .gitignore +exclude uv.lock diff --git a/README.md b/README.md new file mode 100644 index 00000000..e69de29b diff --git a/benches/intensity_benchmarks.rs b/benches/intensity_benchmarks.rs new file mode 100644 index 00000000..9de17aad --- /dev/null +++ b/benches/intensity_benchmarks.rs @@ -0,0 +1,208 @@ +use _core::{arias_intensity, cav, psa, significant_duration}; +use criterion::{criterion_group, criterion_main, BenchmarkId, Criterion, Throughput}; +use ndarray::Array2; +use std::hint::black_box; + +// Configuration constants for test scenarios +const SAMPLING_RATE: f64 = 0.005; // 200 Hz +const STATION_COUNTS: &[usize] = &[1, 10, 100, 1000, 10000]; +const SAMPLE_LENGTHS: &[usize] = &[ + 1000, // 5 seconds + 5_000, // 25 seconds + 10_000, // 50 seconds + 20_000, // 100 seconds + 40_000, // 200 seconds +]; +const PSA_PERIODS: &[f64] = &[1.0]; // Should be independent of pSA period, but added here for safety in the future +const DAMPING: f64 = 0.05; + +/// Generate synthetic waveform data for benchmarking +fn generate_waveforms(stations: usize, samples: usize) -> Array2 { + // Using a simple sine wave with some noise for realistic computation + Array2::from_shape_fn((stations, samples), |(i, j)| { + 0.5 * ((j as f64 * 0.01 + i as f64).sin() + 0.1 * (j as f64 * 0.1).cos()) + }) +} + +/// Benchmark CAV (Cumulative Absolute Velocity) calculations +fn bench_cav(c: &mut Criterion) { + let mut group = c.benchmark_group("CAV"); + + for &stations in STATION_COUNTS { + for &samples in SAMPLE_LENGTHS { + let waveforms = generate_waveforms(stations, samples); + let view = waveforms.view(); + let param = format!("{}stn_{}smp", stations, samples); + + group.throughput(Throughput::Bytes((stations * samples * 8) as u64)); + + group.bench_with_input(BenchmarkId::new("Sequential", ¶m), &view, |b, &v| { + b.iter(|| cav::cav(black_box(v), black_box(SAMPLING_RATE))) + }); + + // Only benchmark parallel for multiple stations + if stations > 1 { + group.bench_with_input(BenchmarkId::new("Parallel", ¶m), &view, |b, &v| { + b.iter(|| cav::parallel_cav(black_box(v), black_box(SAMPLING_RATE))) + }); + } + } + } + + group.finish(); +} + +/// Benchmark Arias Intensity calculations +fn bench_arias_intensity(c: &mut Criterion) { + let mut group = c.benchmark_group("Arias_Intensity"); + + for &stations in STATION_COUNTS { + for &samples in SAMPLE_LENGTHS { + let waveforms = generate_waveforms(stations, samples); + let view = waveforms.view(); + let param = format!("{}stn_{}smp", stations, samples); + + group.throughput(Throughput::Bytes((stations * samples * 8) as u64)); + + group.bench_with_input(BenchmarkId::new("Sequential", ¶m), &view, |b, &v| { + b.iter(|| arias_intensity::arias_intensity(black_box(v), black_box(SAMPLING_RATE))) + }); + + if stations > 1 { + group.bench_with_input(BenchmarkId::new("Parallel", ¶m), &view, |b, &v| { + b.iter(|| { + arias_intensity::parallel_arias_intensity( + black_box(v), + black_box(SAMPLING_RATE), + ) + }) + }); + } + } + } + + group.finish(); +} + +/// Benchmark Cumulative Arias Intensity calculations +fn bench_cumulative_arias(c: &mut Criterion) { + let mut group = c.benchmark_group("Cumulative_Arias"); + + for &stations in STATION_COUNTS { + for &samples in SAMPLE_LENGTHS { + let waveforms = generate_waveforms(stations, samples); + let view = waveforms.view(); + let param = format!("{}stn_{}smp", stations, samples); + + // Cumulative version produces more output data + group.throughput(Throughput::Bytes((stations * samples * 8) as u64)); + + group.bench_with_input(BenchmarkId::new("Sequential", ¶m), &view, |b, &v| { + b.iter(|| { + arias_intensity::cumulative_arias_intensity( + black_box(v), + black_box(SAMPLING_RATE), + ) + }) + }); + + if stations > 1 { + group.bench_with_input(BenchmarkId::new("Parallel", ¶m), &view, |b, &v| { + b.iter(|| { + arias_intensity::parallel_cumulative_arias_intensity( + black_box(v), + black_box(SAMPLING_RATE), + ) + }) + }); + } + } + } + + group.finish(); +} + +/// Benchmark Significant Duration calculations +fn bench_significant_duration(c: &mut Criterion) { + let mut group = c.benchmark_group("Significant_Duration"); + + for &stations in STATION_COUNTS { + for &samples in SAMPLE_LENGTHS { + let waveforms = generate_waveforms(stations, samples); + let view = waveforms.view(); + let param = format!("{}stn_{}smp", stations, samples); + + group.throughput(Throughput::Bytes((stations * samples * 8) as u64)); + + group.bench_with_input(BenchmarkId::new("Sequential", ¶m), &view, |b, &v| { + b.iter(|| { + significant_duration::significant_duration( + black_box(v), + black_box(SAMPLING_RATE), + 0.05, + 0.95, + ) + }) + }); + + if stations > 1 { + group.bench_with_input(BenchmarkId::new("Parallel", ¶m), &view, |b, &v| { + b.iter(|| { + significant_duration::parallel_significant_duration( + black_box(v), + black_box(SAMPLING_RATE), + 0.05, + 0.95, + ) + }) + }); + } + } + } + + group.finish(); +} + +/// Benchmark Pseudo-Spectral Acceleration (pSA) calculations +/// This is typically the most expensive calculation +fn bench_psa(c: &mut Criterion) { + let mut group = c.benchmark_group("PSA"); + // PSA is expensive, so we might want to use a smaller sample size + group.sample_size(10); + + for &period in PSA_PERIODS { + for &stations in STATION_COUNTS { + // For PSA, use smaller sample sets to keep benchmark times reasonable + for &samples in SAMPLE_LENGTHS { + let waveforms = generate_waveforms(stations, samples); + let view = waveforms.view(); + let param = format!("T{:.1}s_{}stn_{}smp", period, stations, samples); + + group.throughput(Throughput::Bytes((stations * samples * 8) as u64)); + + group.bench_with_input(BenchmarkId::new("Parallel", ¶m), &view, |b, &v| { + b.iter(|| { + psa::newmark_beta_method_parallel( + black_box(&v), + black_box(SAMPLING_RATE), + black_box(period), + black_box(DAMPING), + ) + }) + }); + } + } + } + + group.finish(); +} + +criterion_group!( + benches, + bench_cav, + bench_arias_intensity, + bench_cumulative_arias, + bench_significant_duration, + bench_psa, +); +criterion_main!(benches); diff --git a/pyproject.toml b/pyproject.toml index ac695510..093c9efb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,5 +1,5 @@ [build-system] -requires = ["setuptools", "setuptools-scm"] +requires = ["setuptools", "setuptools-scm", "setuptools-rust>=1.1.0"] build-backend = "setuptools.build_meta" [project] @@ -10,15 +10,14 @@ readme = "README.md" requires-python = ">=3.11" dynamic = ["version"] dependencies = [ - "numba", "numpy", - "numexpr", "pandas[hdf5]", "pyfftw", "scipy", "pint-xarray", "xarray[io]", "typer>0.12.3", + "tqdm>=4.67.1", "qcore-utils>=2025.12.1", ] @@ -26,12 +25,25 @@ dependencies = [ [project.optional-dependencies] ko_matrix = ["obspy"] -test = ["pytest", "hypothesis[numpy]", "obspy", "pytest-cov"] +test = ["pytest", "hypothesis[numpy]", "pytest-cov", "rich>=14.2.0"] types = ["pandas-stubs", "scipy-stubs"] -dev = ["deptry", "ruff", "ty"] +dev = ["deptry", "ruff", "ty", "numpydoc"] + + +[tool.pytest] +markers = ["slow: mark a test as slow"] + +[tool.setuptools.packages] +find = { where = [ + ".", +], include = [ + "IM", +], exclude = [ + "wiki", + "tests", + "src-rust", +] } -[tool.setuptools.packages.find] -exclude = ["wiki", "tests"] [project.scripts] calculate-ims-ascii = "IM.scripts.calculate_ims:app" @@ -78,8 +90,40 @@ known-first-party = [ [tool.ruff.lint.per-file-ignores] # Ignore no docstring in __init__.py -"__init__.py" = ["D104"] +"__init__.py" = ["D104", "N999"] # Ignore docstring errors in tests folder "tests/**.py" = ["D"] # Ignore the module name IM "IM/__init__.py" = ["N999"] + + +[[tool.setuptools-rust.ext-modules]] +target = "IM._core" +binding = "PyO3" + + +[tool.numpydoc_validation] +checks = [ + "GL05", + "GL08", + "GL10", + "PR01", + "PR02", + "PR03", + "PR04", + "PR05", + "PR06", + "PR07", + "RT01", + "RT02", + "RT03", + "RT04", + "YD01", +] + +[tool.uv] +cache-keys = [ + { file = "pyproject.toml" }, + { file = "Cargo.toml" }, + { file = "**/*.rs" }, +] diff --git a/src-rust/arias_intensity.rs b/src-rust/arias_intensity.rs new file mode 100644 index 00000000..49079db3 --- /dev/null +++ b/src-rust/arias_intensity.rs @@ -0,0 +1,135 @@ +//! Arias Intensity ($I_A$) calculation module. +//! +//! This module provides functions to calculate the intensity of earthquake ground motion +//! based on the integral of the square of acceleration. +//! +//! The formula used is: +//! $$I_A = \frac{\pi}{2g} \int_{0}^{T} a(t)^2 \, dt$$ +//! +//! Where $g$ is the acceleration due to gravity (set here to $9.81 \text{ m/s}^2$). + +use crate::trapz::{ + cumulative_trapz_with_fun, parallel_cumulative_trapz_with_fun, parallel_trapz_with_fun, + trapz_with_fun, +}; + +use crate::constants::G; +use ndarray::prelude::*; +use std::f64::consts::PI; + +/// Precomputed scaling factor: $\frac{\pi}{2g}$ +const ARIAS_CONSTANT: f64 = G * PI / 2.0; + +/// Computes the total Arias Intensity ($I_A$) for each row in parallel. +/// +/// # Arguments +/// * `waveforms` - A 2D array view where each row is an acceleration time-series. +/// * `dt` - The time step (sampling interval) of the waveforms. +/// +/// # Returns +/// An `Array1` containing the final $I_A$ value for each station. +pub fn parallel_arias_intensity(waveforms: ArrayView2, dt: f64) -> Array1 { + ARIAS_CONSTANT * parallel_trapz_with_fun(waveforms, dt, |x| x * x) +} + +/// Computes the total Arias Intensity ($I_A$) for each row using a single thread. +/// +/// # Arguments +/// * `waveforms` - A 2D array view where each row is an acceleration time-series. +/// * `dt` - The time step (sampling interval) of the waveforms. +pub fn arias_intensity(waveforms: ArrayView2, dt: f64) -> Array1 { + ARIAS_CONSTANT * trapz_with_fun(waveforms, dt, |x| x * x) +} + +/// Computes the cumulative Arias Intensity time-history for each row in parallel. +/// +/// This returns the "Husid plot" data, showing how the intensity builds over time. +/// +/// # Arguments +/// * `waveforms` - A 2D array view where each row is an acceleration time-series. +/// * `dt` - The time step (sampling interval) of the waveforms. +/// +/// # Returns +/// An `Array2` of the same shape as `waveforms`, representing the intensity accumulated at each timestep. +pub fn parallel_cumulative_arias_intensity(waveforms: ArrayView2, dt: f64) -> Array2 { + ARIAS_CONSTANT * parallel_cumulative_trapz_with_fun(waveforms, dt, |x| x * x) +} + +/// Computes the cumulative Arias Intensity time-history for each row using a single thread. +/// +/// # Arguments +/// * `waveforms` - A 2D array view where each row is an acceleration time-series. +/// * `dt` - The time step (sampling interval) of the waveforms. +pub fn cumulative_arias_intensity(waveforms: ArrayView2, dt: f64) -> Array2 { + ARIAS_CONSTANT * cumulative_trapz_with_fun(waveforms, dt, |x| x * x) +} + +#[cfg(test)] +mod tests { + use super::*; + use approx::assert_abs_diff_eq; + use ndarray::array; + + #[test] + fn test_arias_physical_constant() { + // If a = 1.0 cm/s^2 (constant) for 1 second with dt=1 + // Integral of a^2 dt from 0 to 1 is 1.0. + // Result should be PI / (2.0 * 981.0) + let waveforms = array![[1.0, 1.0]]; + let dt = 1.0; + let result = arias_intensity(waveforms.view(), dt); + + let expected = ARIAS_CONSTANT; + assert_abs_diff_eq!(result[0], expected, epsilon = 1e-10); + } + + #[test] + fn test_husid_plot_monotonicity() { + // Even with negative acceleration, the intensity must increase + let waveforms = array![[1.0, -2.0, 3.0, -4.0]]; + let dt = 0.1; + let husid = cumulative_arias_intensity(waveforms.view(), dt); + + // Check each step is >= previous step + for window in husid.windows((1, 2)).into_iter() { + assert!( + window[[0, 1]] >= window[[0, 0]], + "Husid plot must be monotonic" + ); + } + } + + #[test] + fn test_output_shapes() { + let waveforms = Array2::::zeros((3, 100)); + let dt = 0.01; + + let total = arias_intensity(waveforms.view(), dt); + let cumulative = cumulative_arias_intensity(waveforms.view(), dt); + + assert_eq!(total.shape(), &[3]); + assert_eq!(cumulative.shape(), &[3, 100]); + } + + #[test] + fn test_parallel_equals_sequential_total_intensity() { + let waveforms = array![[0.0, 1.0, 2.0], [2.0, 1.0, 0.0]]; + let dt = 0.02; + + let seq_res = arias_intensity(waveforms.view(), dt); + let par_res = parallel_arias_intensity(waveforms.view(), dt); + + assert_abs_diff_eq!(seq_res, par_res, epsilon = 1e-10); + } + + #[test] + fn test_parallel_equals_sequential_cumulative_intensity() { + let waveforms = array![[0.0, 1.0, 2.0], [2.0, 1.0, 0.0]]; + let dt = 0.02; + + let seq_res = cumulative_arias_intensity(waveforms.view(), dt); + let par_res = parallel_cumulative_arias_intensity(waveforms.view(), dt); + + assert_abs_diff_eq!(seq_res, par_res, epsilon = 1e-10); + } +} diff --git a/src-rust/cav.rs b/src-rust/cav.rs new file mode 100644 index 00000000..cb6973c7 --- /dev/null +++ b/src-rust/cav.rs @@ -0,0 +1,114 @@ +//! Cumulative absolute velocity (CAV) calculation module. +//! +//! This module provides functions to calculate the intensity of earthquake ground motion +//! based on the integral of the absolute value of acceleration. +//! +//! The formula used is: +//! $$CAV = \int_{0}^{T} |a(t)| \, dt$$ +//! + +use crate::constants::G; +use crate::trapz::{parallel_trapz_with_fun, trapz_with_fun}; + +use ndarray::prelude::*; + +/// Computes the total Cumulative Absolute Velocity ($CAV$) for each row in parallel. +/// +/// # Arguments +/// * `waveforms` - A 2D array view where each row is an acceleration time-series. +/// * `dt` - The time step (sampling interval) of the waveforms. +/// +/// # Returns +/// An `Array1` containing the final CAV value for each station. +pub fn parallel_cav(waveforms: ArrayView2, dt: f64) -> Array1 { + G * parallel_trapz_with_fun(waveforms, dt, |x| x.abs()) +} + +/// Computes the total Cumulative Absolute Velocity ($CAV$) for each row using a single thread. +/// +/// # Arguments +/// * `waveforms` - A 2D array view where each row is an acceleration time-series. +/// * `dt` - The time step (sampling interval) of the waveforms. +pub fn cav(waveforms: ArrayView2, dt: f64) -> Array1 { + G * trapz_with_fun(waveforms, dt, |x| x.abs()) +} + +#[cfg(test)] +mod tests { + use super::*; + use approx::assert_abs_diff_eq; + use ndarray::{array, Array}; + use std::f64::consts::PI; + + #[test] + fn test_cav_constant() { + // If a = 1.0 cm/s^2 (constant) for 1 second with dt = 1 + // Integral of |a| dt from 0 to 1 is 1.0. + // Result should be G (9.81 cm/s) + let waveforms = array![[1.0, 1.0]]; + let dt = 1.0; + let result = cav(waveforms.view(), dt); + + let expected = G; + assert_abs_diff_eq!(result[0], expected, epsilon = 1e-10); + } + + #[test] + fn test_cav_negative() { + // CAV should not care about negative values + let waveforms = array![[-1.0, -1.0]]; + let dt = 1.0; + let result = cav(waveforms.view(), dt); + + let expected = G; + assert_abs_diff_eq!(result[0], expected, epsilon = 1e-10); + } + + #[test] + fn test_cav_quadratic() { + let waveform = Array::linspace(0.0, 1.0, 100).powi(2); + + let mut waveforms: Array2 = Array2::zeros((1, 100)); + waveforms.assign(&waveform); + + let dt = 1.0 / 99.0; + let result = cav(waveforms.view(), dt); + let expected = G / 3.0; + assert_abs_diff_eq!(result[0], expected, epsilon = 0.1); + } + + #[test] + fn test_cav_sin() { + let waveform = 2.0 * Array::linspace(0.0, 2.0 * PI, 1000).sin() - 1.0; + let mut waveforms: Array2 = Array2::zeros((1, 1000)); + waveforms.assign(&waveform); + + let dt = (2.0 * PI) / 999.0; + let result = cav(waveforms.view(), dt); + let expected = 9.81 * (2.0 / 3.0) * (6.0 * 3.0f64.sqrt() + PI); + assert_abs_diff_eq!(result[0], expected, epsilon = 0.1); + } + + #[test] + fn test_parallel_equals_sequential() { + // This test prevents "implementation drift" where the parallel version + // gets updated but the sequential one is forgotten. + + // Shape (2 rows, 3 cols) + let waveforms = array![[0.0, 1.0, 2.0], [2.0, 1.0, 0.0]]; + let dt = 1.0; + + let seq_res = cav(waveforms.view(), dt); + let par_res = parallel_cav(waveforms.view(), dt); + + // Check if shapes match + assert_eq!( + seq_res.dim(), + par_res.dim(), + "Sequential and Parallel output shapes mismatch" + ); + + // Check if values match + assert_abs_diff_eq!(seq_res, par_res, epsilon = 1e-10); + } +} diff --git a/src-rust/constants.rs b/src-rust/constants.rs new file mode 100644 index 00000000..b3e2cc08 --- /dev/null +++ b/src-rust/constants.rs @@ -0,0 +1,7 @@ +//! Physical constants for intensity measure calculation. + +/// Gravitational acceleration in m/s². +pub const G: f64 = 9.81; + +/// Gravitational acceleration in cm/s² (Gal). +pub const GAL: f64 = 981.0; diff --git a/src-rust/lib.rs b/src-rust/lib.rs new file mode 100644 index 00000000..c9afb036 --- /dev/null +++ b/src-rust/lib.rs @@ -0,0 +1,161 @@ +pub mod arias_intensity; +pub mod cav; +pub mod constants; +pub mod psa; +pub mod rotd; +pub mod significant_duration; +mod trapz; +mod utils; +use pyo3::prelude::*; + +/// A Python module implemented in Rust. The name of this function must match +/// the `lib.name` setting in the `Cargo.toml`, else Python will not be able to +/// import the module. +#[pymodule] +mod _core { + use numpy::{IntoPyArray, PyArray1, PyArray2, PyReadonlyArray2}; + use pyo3::prelude::*; + + use crate::arias_intensity; + use crate::cav; + use crate::psa; + use crate::rotd; + use crate::significant_duration; + + /// Newmark-beta method + #[pyfunction] + fn _newmark_beta_method<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + w: f64, + xi: f64, + ) -> Bound<'py, PyArray2> { + let waveforms = waveforms_py.as_array(); + let waveform_psa = psa::newmark_beta_method_parallel(&waveforms, dt, w, xi); + waveform_psa.into_pyarray(py) + } + + #[pyfunction] + fn _arias_intensity<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + ) -> Bound<'py, PyArray1> { + let waveforms = waveforms_py.as_array(); + let waveform_ai = arias_intensity::arias_intensity(waveforms, dt); + waveform_ai.into_pyarray(py) + } + + #[pyfunction] + fn _parallel_arias_intensity<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + ) -> Bound<'py, PyArray1> { + let waveforms = waveforms_py.as_array(); + let waveform_ai = arias_intensity::parallel_arias_intensity(waveforms, dt); + waveform_ai.into_pyarray(py) + } + + #[pyfunction] + fn _cumulative_arias_intensity<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + ) -> Bound<'py, PyArray2> { + let waveforms = waveforms_py.as_array(); + let waveform_ai = arias_intensity::cumulative_arias_intensity(waveforms, dt); + waveform_ai.into_pyarray(py) + } + + #[pyfunction] + fn _parallel_cumulative_arias_intensity<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + ) -> Bound<'py, PyArray2> { + let waveforms = waveforms_py.as_array(); + let waveform_ai = arias_intensity::parallel_cumulative_arias_intensity(waveforms, dt); + waveform_ai.into_pyarray(py) + } + + #[pyfunction] + fn _cav<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + ) -> Bound<'py, PyArray1> { + let waveforms = waveforms_py.as_array(); + let waveform_cav = cav::cav(waveforms, dt); + waveform_cav.into_pyarray(py) + } + + #[pyfunction] + fn _parallel_cav<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + ) -> Bound<'py, PyArray1> { + let waveforms = waveforms_py.as_array(); + let waveform_cav = cav::parallel_cav(waveforms, dt); + waveform_cav.into_pyarray(py) + } + + #[pyfunction] + fn _rotd_parallel<'py>( + py: Python<'py>, + comp_0_py: PyReadonlyArray2, + comp_90_py: PyReadonlyArray2, + ) -> Bound<'py, PyArray2> { + let comp_0 = comp_0_py.as_array(); + let comp_90 = comp_90_py.as_array(); + let rotd_stats = rotd::rotd_parallel(comp_0, comp_90); + rotd_stats.into_pyarray(py) + } + + #[pyfunction] + fn _rotd<'py>( + py: Python<'py>, + comp_0_py: PyReadonlyArray2, + comp_90_py: PyReadonlyArray2, + ) -> Bound<'py, PyArray2> { + let comp_0 = comp_0_py.as_array(); + let comp_90 = comp_90_py.as_array(); + let rotd_stats = rotd::rotd(comp_0, comp_90); + rotd_stats.into_pyarray(py) + } + + #[pyfunction] + fn _significant_duration<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + low: f64, + high: f64, + ) -> Bound<'py, PyArray1> { + let waveforms = waveforms_py.as_array(); + let arias_intensity = arias_intensity::cumulative_arias_intensity(waveforms, dt); + let ds = significant_duration::significant_duration(arias_intensity.view(), dt, low, high); + ds.into_pyarray(py) + } + + #[pyfunction] + fn _parallel_significant_duration<'py>( + py: Python<'py>, + waveforms_py: PyReadonlyArray2, + dt: f64, + low: f64, + high: f64, + ) -> Bound<'py, PyArray1> { + let waveforms = waveforms_py.as_array(); + let arias_intensity = arias_intensity::parallel_cumulative_arias_intensity(waveforms, dt); + let ds = significant_duration::parallel_significant_duration( + arias_intensity.view(), + dt, + low, + high, + ); + ds.into_pyarray(py) + } +} diff --git a/src-rust/psa.rs b/src-rust/psa.rs new file mode 100644 index 00000000..6af08fb7 --- /dev/null +++ b/src-rust/psa.rs @@ -0,0 +1,280 @@ +use ndarray::parallel::prelude::*; +use ndarray::prelude::*; +use ndarray::{Array1, Ix1, Ix2}; + +#[allow(clippy::too_many_arguments)] +fn newmark_beta_solver( + waveform: ArrayView, + dt: f64, + w: f64, + xi: f64, + gamma: f64, + beta: f64, + u0: f64, + dudt0: f64, +) -> Array1 { + let nt = waveform.dim(); + let mut u = Array1::zeros(nt); + let one_over_beta_dt_sq = 1.0 / (beta * dt * dt); + let one_over_beta_dt = 1.0 / (beta * dt); + let k = w * w; + let c = 2.0 * xi * w; + let c_gamma_over_beta_dt = (gamma * c) / (beta * dt); + let one_over_two_beta = 1.0 / (2.0 * beta); + // Constants to solve for u_n+1: + let kbar = one_over_beta_dt_sq + k + c_gamma_over_beta_dt; // u_n+1 + let a1 = c_gamma_over_beta_dt + one_over_beta_dt_sq; // u_n + let b1 = one_over_beta_dt + c * (gamma / beta - 1.0); // udot_n + let c1 = c * dt * (gamma / (2.0 * beta) - 1.0) + one_over_two_beta - 1.0; // uddot_n + + // Constants to solve for uddot_n+1 + let a2 = one_over_beta_dt_sq; // u_n+1 - u_n + let b2 = -one_over_beta_dt; // udot_n + let c2 = -c1; // uddot_n + // Constants to solve for udot_n+1 + // a'3 = 1 for uddot_n + let a3 = 1.0 - gamma; // uddot_n + let b3 = gamma; // uddot_n+1 + + u[0] = u0; + let mut udot = dudt0; + let mut uddot = -waveform[0] - (c * udot + k * u[0]); // negated because ground motion + + // ENCI335 notes solve for u''_n+1, but for numerical stability reasons we really want to solve for displacement directly and then derive velocity and acceleration from that. + // Basically the formulations in the ENCI notes solve for acceleration and then integrate to get displacement, but this involves the calculation of + // d_pti = waveform[i + 1] - waveform[i] + // which is a noisy floating-point operation. We then numerically integrate that noise twice which amplifies the noise carried into the rest of the calculations. + // Instead: implicitly solve for displacement and differentiate. The u at each time step is the smoothed response, so it is more robust to signal noise from the waveform. + // See https://collab.dvb.bayern/spaces/TUMmodsim/pages/71122788/Newmark-%CE%B2+method for the derivation when beta = 1/4, gamma = 1/2. + for i in 0..(nt - 1) { + let u_n = u[i]; + let f_next = -waveform[i + 1]; // Negated because ground motion. + let pbar = f_next + a1 * u_n + b1 * udot + c1 * uddot; + let u_next = pbar / kbar; + let uddot_next = a2 * (u_next - u_n) + b2 * udot + c2 * uddot; + let udot_next = udot + dt * (a3 * uddot + b3 * uddot_next); + u[i + 1] = u_next; + udot = udot_next; + uddot = uddot_next; + } + u +} + +fn choose_gamma_beta(dt: f64, w: f64) -> (f64, f64) { + let gamma = 0.5; + + let stability_constant = 0.551328895421792; + // Whilst the linear solver is theoretically stable for ratios + // dt/T up to 0.551-ish, we want to be a bit more conservative + // about when we choose the linear solver instead of the constant + // solver. During testing, we pick a conservative 80%. This means we leave + // some result accuracy on the table, but I can live with this + // because it only affects very short period pSA with large + // timesteps. + let stability_fraction = 0.8; + let effective_stability_constant = stability_fraction * stability_constant; + let pi = std::f64::consts::PI; + let beta = if dt < effective_stability_constant * (2.0 * pi) / w { + 1.0 / 6.0 + } else { + 1.0 / 4.0 + }; + + (gamma, beta) +} + +pub fn newmark_beta_method( + waveform: ArrayView, + dt: f64, + w: f64, + xi: f64, + u0: f64, + dudt0: f64, +) -> Array1 { + let (gamma, beta) = choose_gamma_beta(dt, w); + newmark_beta_solver(waveform, dt, w, xi, gamma, beta, u0, dudt0) +} + +/// Solve the SDOF oscillator equation for an array of observations, in parallel, *in-place*. +/// +/// The `waveforms` array must have shape `(ns, nt)`, where `ns` is the number of stations and `nt` is the number of timesteps. +/// The solver uses the Newmark-Beta method to solve the SDOF oscillator equation for an oscillator +/// with an *angular frequency* of `w` Hz, damping coefficient of `xi`, and mass parameter `m`. +/// The `gamma` and `beta` parameters determine if the constant or linear acceleration method is implemented. +/// +/// +/// Solving is done in parallel for all `ns` stations, and in-place on the waveforms array. +pub fn newmark_beta_method_parallel( + waveforms: &ArrayView2, + dt: f64, + w: f64, + xi: f64, +) -> Array { + let mut out = Array::::zeros(waveforms.dim()); + out.axis_iter_mut(Axis(0)) + .into_par_iter() + .zip(waveforms.axis_iter(Axis(0)).into_par_iter()) + .for_each(|(mut out_row, in_row)| { + let r = newmark_beta_method(in_row, dt, w, xi, 0.0, 0.0); + out_row.assign(&r); + }); + out +} + +#[cfg(test)] +mod tests { + + use super::*; + use approx::assert_abs_diff_eq; + use std::f64::consts::PI; + const XI: f64 = 0.05; + // Linear gamma and beta settings + const GAMMA: f64 = 0.5; + const BETA: f64 = 1.0 / 6.0; + const M: f64 = 1.0; + + #[test] + fn test_newmark_linear_parameters() { + let dt = 0.01f64; + let w = 2.0 * PI; // T_n = 1 + let (gamma, beta) = choose_gamma_beta(dt, w); + assert_eq!((gamma, beta), (0.5, 1.0 / 6.0)); + } + + #[test] + fn test_newmark_const_parameters() { + let dt = 0.01f64; + let w = 100.0 * 2.0 * PI; // T_n = 0.01 + let (gamma, beta) = choose_gamma_beta(dt, w); + assert_eq!((gamma, beta), (0.5, 0.25)); + } + + fn differentiate(waveform: &Array, dt: f64) -> Array { + let nt = waveform.dim(); + Array1::from_shape_fn(nt, |i| { + if i == 0 { + (waveform[i + 1] - waveform[i]) / dt + } else if i == nt - 1 { + (waveform[i] - waveform[i - 1]) / dt + } else { + (waveform[i + 1] - waveform[i - 1]) / (2.0 * dt) + } + }) + } + + fn ddifferentiate(waveform: &Array, dt: f64) -> Array { + let nt = waveform.dim(); + Array1::from_shape_fn(nt, |i| { + if i == 0 { + (waveform[i + 2] - 2.0 * waveform[i + 1] + waveform[i]) / (dt * dt) + } else if i == nt - 1 { + (waveform[i] - 2.0 * waveform[i - 1] + waveform[i - 2]) / (dt * dt) + } else { + (waveform[i + 1] - 2.0 * waveform[i] + waveform[i - 1]) / (dt * dt) + } + }) + } + + #[test] + fn test_newmark_beta_single_zeros() { + let waveform = Array1::::zeros(100); + let dt = 0.01; + let w = 1.0; + + let u = newmark_beta_solver(waveform.view(), dt, w, XI, GAMMA, BETA, 0.0, 0.0); + let expected = Array1::::zeros(100); + assert_eq!(u, expected); + } + + #[test] + fn test_newmark_beta_solves_constant() { + let dt = 0.001; + let waveform = Array1::::ones(100_000); + let w = 2.0 * PI; + + let u = newmark_beta_solver(waveform.view(), dt, w, XI, GAMMA, BETA, 0.0, 0.0); + + // Of course we could use the exact solution here. This test is to determine + // the long-term behaviour of the solver accumulating floating point error. + let uss = -M / (M * w * w); + let uss_est = u[waveform.dim() - 1]; + let err = (uss_est - uss).abs(); + assert!( + err < 1e-4, + "NB method did not solve for steady-state solution (uss = {}): |{} - {}| = {} > 1e-4", + uss, + uss, + uss_est, + err + ); + } + + #[test] + fn test_newmark_beta_solves_equation() { + // Test a more complicated sum of frequencies + let t = Array1::::linspace(0.0, 10.0, 100_000); + let dt = t[1] - t[0]; + // W(t) = sum_i 1/i * sin(pi * i * t) + let waveform = t.map(|&t| { + (1..100) + .map(|freq| { + let freq_f = freq as f64; + 1.0 / freq_f * (freq_f * PI * t).sin() + }) + .sum() + }); + let w = 2.0 * PI; + + let u = newmark_beta_solver(waveform.view(), dt, w, XI, GAMMA, BETA, 0.0, 0.0); + + let du = differentiate(&u, dt); + let du2 = ddifferentiate(&u, dt); + let c = 2.0 * XI * w; + let k = M * w * w; + let sdof_invariant = M * du2 + c * du + k * u + M * waveform; + // Skipping the first and last value of u because the differentiation is less accurate at the boundary. + + let max_deviation = sdof_invariant + .slice(s![1..sdof_invariant.len() - 1]) + .map(|&x| x.abs()) + .fold(0.0, |x: f64, &y| x.max(y)); + assert_abs_diff_eq!(max_deviation, 0.0, epsilon = 5e-4); + } + + #[test] + fn test_newmark_solves_undamped_free_vibration() { + let t = Array1::::linspace(0.0, 10.0, 10000); + let dt = t[1] - t[0]; + let waveform = Array1::zeros(t.dim()); + let w = 2.0 * PI; + + let u = newmark_beta_solver(waveform.view(), dt, w, 0.0, GAMMA, BETA, 1.0, 0.0); + let analytical = (t * w).cos(); + assert_abs_diff_eq!(u, analytical, epsilon = 5e-4); + } + + #[test] + fn test_newmark_solves_damped_free_vibration() { + let t = Array1::::linspace(0.0, 10.0, 10000); + let dt = t[1] - t[0]; + let waveform = Array1::zeros(t.dim()); + let w = 1.0; + let xi = 1.0; + let u = newmark_beta_solver(waveform.view(), dt, w, xi, GAMMA, BETA, 1.0, 0.0); + let analytical = t.map(|&x| (-x).exp() * (x + 1.0)); + assert_abs_diff_eq!(u, analytical, epsilon = 5e-4); + } + + #[test] + fn test_newmark_solves_damped_harmonic_oscillation() { + let t = Array1::::linspace(0.0, 10.0, 10000); + let dt = t[1] - t[0]; + let waveform = t.sin(); + let w = 1.0; + let xi = 1.0; + let u = newmark_beta_solver(waveform.view(), dt, w, xi, GAMMA, BETA, 0.0, 0.0); + + let analytical = t.map(|&x| -0.5 * (-x).exp() * (x - x.exp() * x.cos() + 1.0)); + assert_abs_diff_eq!(u, analytical, epsilon = 5e-4); + } +} diff --git a/src-rust/rotd.rs b/src-rust/rotd.rs new file mode 100644 index 00000000..289127d3 --- /dev/null +++ b/src-rust/rotd.rs @@ -0,0 +1,88 @@ +use std::f64::consts::PI; + +use ndarray::prelude::*; +use ndarray::Zip; + +const DEGREES: f64 = PI / 180.0; + +/// RotD180 calculations for a single pair of components assuming the absmax reduction function. +fn rotd_calculation(comp_0: ArrayView1, comp_90: ArrayView1) -> (f64, f64, f64) { + let mut rotd_values: [f64; 180] = [0.0; 180]; + + for (theta, result) in rotd_values.iter_mut().enumerate() { + let theta_f: f64 = theta as f64; + let theta_rad = theta_f * DEGREES; + let sin_theta = theta_rad.sin(); + let cos_theta = theta_rad.cos(); + *result = Zip::from(comp_0).and(comp_90).fold(0.0, |acc, &x, &y| { + acc.max((cos_theta * x + sin_theta * y).abs()) + }); + } + let (small, middle, large) = rotd_values.select_nth_unstable_by(90, f64::total_cmp); + let min = small.iter().min_by(|a, b| a.total_cmp(b)).unwrap(); + let lower_middle = small.iter().max_by(|a, b| a.total_cmp(b)).unwrap(); + let max = large.iter().max_by(|a, b| a.total_cmp(b)).unwrap(); + let median = (lower_middle + *middle) / 2.0; + (*min, median, *max) +} + +pub fn rotd_parallel(comp_0: ArrayView2, comp_90: ArrayView2) -> Array { + let (ns, _) = comp_0.dim(); + let (ns2, _) = comp_90.dim(); + assert_eq!(ns, ns2); + let mut out = Array::::zeros((ns, 3)); + Zip::from(out.rows_mut()) + .and(comp_0.rows()) + .and(comp_90.rows()) + .par_for_each(|mut stats, comp_0, comp_90| { + let (min, median, max) = rotd_calculation(comp_0, comp_90); + stats.assign(&array![min, median, max]); + }); + out +} + +pub fn rotd(comp_0: ArrayView2, comp_90: ArrayView2) -> Array { + let (ns, _) = comp_0.dim(); + let (ns2, _) = comp_90.dim(); + assert_eq!(ns, ns2); + let mut out = Array::::zeros((ns, 3)); + Zip::from(out.rows_mut()) + .and(comp_0.rows()) + .and(comp_90.rows()) + .for_each(|mut stats, comp_0, comp_90| { + let (min, median, max) = rotd_calculation(comp_0, comp_90); + stats.assign(&array![min, median, max]); + }); + out +} + +#[cfg(test)] +mod tests { + use ndarray::array; + + use crate::rotd::rotd_calculation; + #[test] + fn test_rotd_calculation() { + let comp_0 = array![1.0f64, 0.0f64]; + let comp_90 = array![0.0f64, 1.0f64]; + let (min, median, max) = rotd_calculation(comp_0.view(), comp_90.view()); + let expected_min = 2.0f64.sqrt() / 2.0; // e.g. at pi / 4 degrees + let expected_max = 1.0; // e.g. at 0 degrees + let expected_median = 0.9238443540096138; // at 23 degrees, derived independently with numpy + assert!( + (min - expected_min).abs() < 1e-6, + "Minimum calculation failed: expected sqrt(2) +/- 1e-6 found: {}", + min + ); + assert!( + (median - expected_median).abs() < 1e-6, + "Median calculation failed: expected ~0.9238444 +/- 1e-6 found: {}", + median + ); + assert!( + (max - expected_max).abs() < 1e-6, + "Maximum calculation failed: expected 1.0 +/- 1e-6 found: {}", + max + ); + } +} diff --git a/src-rust/significant_duration.rs b/src-rust/significant_duration.rs new file mode 100644 index 00000000..8dcbb867 --- /dev/null +++ b/src-rust/significant_duration.rs @@ -0,0 +1,99 @@ +use crate::utils::parallel_reduce_rows; +use ndarray::prelude::*; + +fn threshold_search(normalised_intensities: ArrayView1, dt: f64, low: f64, high: f64) -> f64 { + if let Some(&max) = normalised_intensities.last() + && max >= 1e-10 + { + let intensities = normalised_intensities.as_slice().unwrap(); + let low_idx = intensities + .binary_search_by(|x| (x / max).total_cmp(&low)) + .unwrap_or_else(|i| i); + + let dx = intensities[low_idx..] + .binary_search_by(|x| (x / max).total_cmp(&high)) + .unwrap_or_else(|i| i); + (dx as f64) * dt + } else { + 0.0 + } +} + +pub fn significant_duration( + arias_intensity: ArrayView2, + dt: f64, + low: f64, + high: f64, +) -> Array1 { + // Binary search for values above threshold + arias_intensity.map_axis(Axis(1), |normalised_intensity| { + threshold_search(normalised_intensity, dt, low, high) + }) +} + +pub fn parallel_significant_duration( + arias_intensity: ArrayView2, + dt: f64, + low: f64, + high: f64, +) -> Array1 { + // Normalise arias intensity + // NOTE: this is subtly different to parallel_map because it does + // not create a copy of the array for output. It simply updates in-place. + parallel_reduce_rows(arias_intensity.view(), |normalised_intensity| { + threshold_search(normalised_intensity, dt, low, high) + }) +} + +#[cfg(test)] +mod tests { + use super::*; + use approx::assert_abs_diff_eq; + use ndarray::array; + + #[test] + fn test_significant_duration_simple() { + // Create a linear ramp from 0 to 10 + // Normalised, this becomes 0.0 to 1.0 + // dt = 1.0. Indices are 0, 1, 2, ... 10 + let arias = array![[0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0]]; + let dt = 1.0; + + // D_20-80: should find index 2 (val 0.2) and index 8 (val 0.8) + // Duration = (8 - 2) * 1.0 = 6.0 + let result = significant_duration(arias.view(), dt, 0.2, 0.8); + + assert_abs_diff_eq!(result[0], 6.0, epsilon = 1e-10); + } + + #[test] + fn test_zero_duration() { + // If low and high are the same, duration should be 0 + let arias = array![[0.0, 5.0, 10.0]]; + let dt = 0.1; + let result = significant_duration(arias.view(), dt, 0.5, 0.5); + + assert_eq!(result[0], 0.0); + } + + #[test] + fn test_parallel_matches_sequential() { + let arias = array![[0.0, 0.1, 0.5, 0.8, 1.0], [0.0, 0.4, 0.7, 0.9, 1.0]]; + let dt = 0.01; + let low = 0.05; + let high = 0.95; + + let seq = significant_duration(arias.view(), dt, low, high); + let par = parallel_significant_duration(arias.view(), dt, low, high); + + assert_abs_diff_eq!(seq, par, epsilon = 1e-10); + } + + #[test] + fn test_output_shape() { + let arias = Array2::::zeros((5, 100)); + let result = significant_duration(arias.view(), 0.01, 0.05, 0.95); + + assert_eq!(result.len(), 5); + } +} diff --git a/src-rust/trapz.rs b/src-rust/trapz.rs new file mode 100644 index 00000000..1820749e --- /dev/null +++ b/src-rust/trapz.rs @@ -0,0 +1,258 @@ +//! Numerical integration module using the Trapezium Rule with zero-crossing correction. +//! +//! This module provides utilities for both total and cumulative integration of 1D and 2D arrays, +//! with support for mapping a function $f(x)$ over the values before integration. +//! +//! A key feature of this implementation is the handling of zero-crossings, which ensures that +//! rectified functions (like $f(x) = |x|$) are integrated with geometric precision. + +use crate::utils::{parallel_map_rows, parallel_reduce_rows}; +use ndarray::prelude::*; + +/// Calculates the contribution of a single step to the trapezium integral. +/// +/// If a zero-crossing is detected between `v1` and `v2`, the interval is split +/// at the estimated root to improve precision for non-linear functions like absolute value. +/// +/// # Arguments +/// * `v1` - Value at the start of the interval. +/// * `v2` - Value at the end of the interval. +/// * `dt` - The time step between points. +/// * `f` - Function to apply to the values before integration. +/// +/// # Returns +/// The area of the trapezium (scaled by 2.0). +fn trapz_step(v1: f64, v2: f64, dt: f64, f: &F) -> f64 +where + F: Fn(f64) -> f64, +{ + if v1.min(v2) >= 0.0 || v1.max(v2) <= 0.0 { + // Standard case: no zero crossing + dt * (f(v1) + f(v2)) + } else { + // Zero-crossing correction: split the interval at x0 + let inv_slope = dt / (v2 - v1); + let x0 = -v1 * inv_slope; + x0 * f(v1) + (dt - x0) * f(v2) + } +} + +/// Integrates a 1D waveform using the trapezium rule. +/// +/// The result is calculated as: +/// $$\text{Area} = \frac{1}{2} \sum_{i=0}^{n-1} \text{trapz\_step}(v_i, v_{i+1}, dt, f)$$ +fn trapz_one_with_fun(waveform: ArrayView1, dt: f64, f: &F) -> f64 +where + F: Fn(f64) -> f64, +{ + let sum = waveform.windows(2).into_iter().fold(0.0, |sum, window| { + let v1 = window[0]; + let v2 = window[1]; + sum + trapz_step(v1, v2, dt, f) + }); + + 0.5 * sum +} + +/// Computes the cumulative integral of a 1D waveform. +fn cumulative_trapz_one_with_fun( + waveform: ArrayView1, + mut out: ArrayViewMut1, + dt: f64, + f: F, +) where + F: Fn(f64) -> f64, +{ + let mut sum = 0.0; + for (window, v) in waveform.windows(2).into_iter().zip(out.iter_mut().skip(1)) { + let v1 = window[0]; + let v2 = window[1]; + sum += trapz_step(v1, v2, dt, &f); + *v = sum; + } + out *= 0.5; +} + +/// Computes the total integral for each row of a 2D array in parallel. +/// +/// # Arguments +/// * `waveforms` - 2D array where each row is a separate signal. +/// * `dt` - The timestep. +/// * `f` - Function to apply to values (e.g., `|x| x * x` for arias intensity). +pub fn parallel_trapz_with_fun(waveforms: ArrayView2, dt: f64, f: F) -> Array1 +where + F: Fn(f64) -> f64 + Send + Sync, +{ + parallel_reduce_rows(waveforms, |waveform| trapz_one_with_fun(waveform, dt, &f)) +} + +/// Computes the total integral for each row of a 2D array. +/// +/// This is the sequential version of [`parallel_trapz_with_fun`]. +pub fn trapz_with_fun(waveforms: ArrayView2, dt: f64, f: F) -> Array1 +where + F: Fn(f64) -> f64, +{ + waveforms.map_axis(Axis(1), |waveform| trapz_one_with_fun(waveform, dt, &f)) +} + +/// Computes the cumulative integral for each row of a 2D array in parallel. +/// +/// # Returns +/// An `Array2` of the same shape as `waveforms`. +pub fn parallel_cumulative_trapz_with_fun( + waveforms: ArrayView2, + dt: f64, + f: F, +) -> Array2 +where + F: Fn(f64) -> f64 + Send + Sync, +{ + parallel_map_rows(waveforms, |waveform, out| { + cumulative_trapz_one_with_fun(waveform, out, dt, &f) + }) +} + +/// Computes the cumulative integral for each row of a 2D array. +/// +/// This is the sequential version of [`parallel_cumulative_trapz_with_fun`]. +pub fn cumulative_trapz_with_fun(waveforms: ArrayView2, dt: f64, f: F) -> Array2 +where + F: Fn(f64) -> f64, +{ + let mut out = Array2::zeros(waveforms.dim()); + out.axis_iter_mut(Axis(0)) + .zip(waveforms.axis_iter(Axis(0))) + .for_each(|(out_row, in_row)| { + cumulative_trapz_one_with_fun(in_row, out_row, dt, &f); + }); + out +} + +#[cfg(test)] +mod tests { + use super::*; + use approx::assert_abs_diff_eq; + use ndarray::array; + + // A helper to define a linear function for testing + fn identity(x: f64) -> f64 { + x + } + fn rectified(x: f64) -> f64 { + x.abs() + } + + #[test] + fn test_trapz_step_zero_crossing_precision() { + // + // Scenario: A signal goes from -1.0 to 1.0 over dt=2.0. + // It crosses zero exactly in the middle. + // We integrate |x| (rectified). + + // STANDARD TRAPEZIUM MATH: + // Area = 0.5 * dt * (|v1| + |v2|) + // = 0.5 * 2.0 * (1.0 + 1.0) = 2.0 + // This is WRONG for |x|. The actual area of two triangles is 1.0. + + // `trapz_step` detects the crossing and splits the interval. + // It should return exactly 1.0 * 2 (since the 0.5 factor is applied later). + + let v1 = -1.0; + let v2 = 1.0; + let dt = 2.0; + + // Note: trapz_step returns 2x the area (the 0.5 is in trapz_one) + let result_2x = trapz_step(v1, v2, dt, &rectified); + + // We expect the area to be 1.0, so the function returns 2.0 + assert_abs_diff_eq!(result_2x, 2.0, epsilon = 1e-10); + } + + #[test] + fn test_trapz_matches_analytical_result() { + // Integrate f(x) = x over [0, 5] + // Analytical integral of x is x^2/2. + // From 0 to 5, Area = 12.5. + + let waveform = array![0.0, 1.0, 2.0, 3.0, 4.0, 5.0]; + let dt = 1.0; + + let area = trapz_one_with_fun(waveform.view(), dt, &identity); + + assert_abs_diff_eq!(area, 12.5, epsilon = 1e-10); + } + + #[test] + fn test_cumulative_matches_total() { + // Guarantee: The last point of a cumulative integral MUST + // equal the result of the total integral. + let waveform = array![0.5, -0.5, 1.0, -2.0, 3.0]; + let mut out = Array1::zeros(waveform.dim()); + let dt = 0.1; + + let total = trapz_one_with_fun(waveform.view(), dt, &rectified); + cumulative_trapz_one_with_fun(waveform.view(), out.view_mut(), dt, rectified); + + assert_abs_diff_eq!(*out.last().unwrap(), total, epsilon = 1e-10); + } + + #[test] + fn test_linearity_scaling() { + // Guarantee: If we double dt, the area should double. + // This ensures variables aren't hardcoded. + let waveform = array![1.0, 2.0, 3.0]; + + let area_dt1 = trapz_one_with_fun(waveform.view(), 1.0, &identity); + let area_dt2 = trapz_one_with_fun(waveform.view(), 2.0, &identity); + + assert_abs_diff_eq!(area_dt2, area_dt1 * 2.0, epsilon = 1e-10); + } + + #[test] + fn test_parallel_equals_sequential() { + // This test prevents "implementation drift" where the parallel version + // gets updated but the sequential one is forgotten. + + // Shape (2 rows, 3 cols) + let waveforms = array![[0.0, 1.0, 2.0], [2.0, 1.0, 0.0]]; + let dt = 1.0; + + let seq_res = trapz_with_fun(waveforms.view(), dt, identity); + let par_res = parallel_trapz_with_fun(waveforms.view(), dt, identity); + + // Check if shapes match + assert_eq!( + seq_res.dim(), + par_res.dim(), + "Sequential and Parallel output shapes mismatch" + ); + + // Check if values match + assert_abs_diff_eq!(seq_res, par_res, epsilon = 1e-10); + } + + #[test] + fn test_orientation_consistency() { + // Checks code integrates along rows (Axis 1). + let waveforms = array![ + [1.0, 1.0, 1.0], // Constant 1, Length 3, Area should be 2.0 + [2.0, 2.0, 2.0] // Constant 2, Length 3, Area should be 4.0 + ]; + let dt = 1.0; + + let result = trapz_with_fun(waveforms.view(), dt, identity); + + // If the code integrates correctly (Batch, Time), result should have 2 elements. + // If it integrates incorrectly (Time, Batch), it will have 3 elements. + assert_eq!( + result.len(), + 2, + "Orientation Bug: Output should have 2 elements (one per row), found {}", + result.len() + ); + + assert_abs_diff_eq!(result[0], 2.0, epsilon = 1e-10); + assert_abs_diff_eq!(result[1], 4.0, epsilon = 1e-10); + } +} diff --git a/src-rust/utils.rs b/src-rust/utils.rs new file mode 100644 index 00000000..9b586876 --- /dev/null +++ b/src-rust/utils.rs @@ -0,0 +1,65 @@ +//! Parallel processing utilities for 2D arrays. +//! +//! This module provides generic abstractions for performing row-wise operations +//! in parallel using `ndarray` and `rayon`. + +use ndarray::parallel::prelude::*; +use ndarray::prelude::*; + +/// Processes each row of a 2D array in parallel and reduces each row to a single value. +/// +/// This is ideal for operations like row-wise sums, means, or integrations (e.g., trapz). +/// +/// # Arguments +/// * `matrix` - An `ArrayView2` of the data to process. +/// * `f` - A function or closure that takes an `ArrayView1` (a row) and returns a single value `U`. +/// +/// # Returns +/// An `Array1` containing one result per row. +/// +pub fn parallel_reduce_rows(matrix: ArrayView2, f: F) -> Array1 +where + T: Sync + Send, + U: Send + Default, + F: Fn(ArrayView1) -> U + Sync + Send, +{ + let (n_rows, _) = matrix.dim(); + let mut results = Vec::with_capacity(n_rows); + + matrix + .axis_iter(Axis(0)) + .into_par_iter() + .map(f) + .collect_into_vec(&mut results); + + Array1::from_vec(results) +} + +/// Transforms each row of a 2D array in parallel, producing a new 2D array. +/// +/// This function maps a row of length $N$ to a new row of length $M$, maintaining +/// the overall structure of the matrix. +/// +/// # Arguments +/// * `input` - An `ArrayView2` to be transformed. +/// * `f` - A function or closure that takes an `ArrayView1` and returns an `Array1`. +/// +/// # Returns +/// A new `Array2` with the same number of rows as the input. +/// +pub fn parallel_map_rows(input: ArrayView2, f: F) -> Array2 +where + T: Sync + Send + Default, + F: Fn(ArrayView1, ArrayViewMut1) + Sync + Send, +{ + let mut out = Array2::::default(input.dim()); + + out.axis_iter_mut(Axis(0)) + .into_par_iter() + .zip(input.axis_iter(Axis(0)).into_par_iter()) + .for_each(|(out_row, in_row)| { + f(in_row, out_row); + }); + + out +} diff --git a/tests/resources/2024p220113_RLNS_HN_20/2024p220113_RLNS_HN_20.000 b/tests/resources/2024p220113_RLNS_HN_20/2024p220113_RLNS_HN_20.000 new file mode 100755 index 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b/tests/resources/3497857_PARS_HN_20/im_benchmark.csv new file mode 100644 index 00000000..4c9f2bcc --- /dev/null +++ b/tests/resources/3497857_PARS_HN_20/im_benchmark.csv @@ -0,0 +1,9 @@ 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a/tests/resources/3528839_LPCC_HN_20/im_benchmark.csv b/tests/resources/3528839_LPCC_HN_20/im_benchmark.csv new file mode 100644 index 00000000..e2a935a2 --- /dev/null +++ b/tests/resources/3528839_LPCC_HN_20/im_benchmark.csv @@ -0,0 +1,9 @@ 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diff --git a/tests/resources/im_benchmark.csv b/tests/resources/im_benchmark.csv index 091da075..24c31a71 100644 --- a/tests/resources/im_benchmark.csv +++ b/tests/resources/im_benchmark.csv @@ -1,9 +1,9 @@ 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diff --git a/tests/resources/nquist_freq/im_benchmark.csv b/tests/resources/nquist_freq/im_benchmark.csv index 9c6ed211..edbf3638 100644 --- a/tests/resources/nquist_freq/im_benchmark.csv +++ b/tests/resources/nquist_freq/im_benchmark.csv @@ -1,9 +1,8 @@ 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-rotd50,6.908363138791174e-05,0.0051127479925848,0.0008905396781407405,,,,,,6.90445231157355e-05,6.95569979143329e-05,6.9740905018989e-05,6.968443631194532e-05,6.991762347752228e-05,6.994454452069476e-05,7.019456825219095e-05,7.047007966320962e-05,7.04944395693019e-05,7.050576095934957e-05,7.030984124867246e-05,7.086305413395166e-05,7.126883429009467e-05,7.15318601578474e-05,7.164444832596928e-05,7.181351247709244e-05,7.22970871720463e-05,7.336054841289297e-05,7.475854363292456e-05,7.524254033342004e-05,7.537705096183345e-05,7.67629753681831e-05,7.917937182355672e-05,7.931526488391683e-05,7.88963952800259e-05,8.081475971266627e-05,8.247920050052926e-05,8.926158625399694e-05,9.721688547870144e-05,9.985593351302668e-05,0.00010250558261759579,0.00010777956777019426,0.00011412295862101018,0.00012577895540744066,0.00013711731298826635,0.0001564006961416453,0.00019755643734242767,0.00023577736283186823,0.000277368031674996,0.00028230229509063065,0.0002818139037117362,0.00027065089670941234,0.00022326066391542554,0.00022774472017772496,0.00023310177493840456,0.0002120549324899912,0.00018979770538862795,0.00018195253505837172,0.00017989575280807912,0.00018681173969525844,0.0002128329942934215,0.0002138710260624066,0.00019561502267606556,0.00017377667245455086,0.00015982615877874196,0.0001452558790333569,0.00013396453869063407,0.00010049896081909537,8.921246626414359e-05,9.291583410231397e-05,9.184718510368839e-05,9.011993824969977e-05,8.661457104608417e-05,8.695173892192543e-05,9.143335046246648e-05,8.850237645674497e-05,8.863760012900457e-05,8.572217484470457e-05,6.441844016080722e-05,5.36813386133872e-05,4.950527727487497e-05,5.0015925808111206e-05,4.336148049333133e-05,4.30361287726555e-05,3.8275094993878156e-05,3.253824979765341e-05,2.6428002456668764e-05,2.2079666450736113e-05,1.4288702004705556e-05,1.064472508005565e-05,9.313098416896537e-06,8.410244845435955e-06,6.213817414391087e-06,5.03998444401077e-06,4.203409389447188e-06,3.66179278898926e-06,3.23467975249514e-06,2.9682807962672086e-06,2.6774348498292966e-06,2.5626998194638873e-06,2.3654718006582698e-06,2.0966556348867016e-06,1.8234616163681494e-06,1.7100686591220438e-06,1.6575321524214814e-06,1.3455062344291946e-06,1.098993152481853e-06,9.247421530744759e-07,7.783958153595449e-07,6.727217396473861e-07,5.88816135405068e-07,5.185433451515564e-07,4.5941607140775886e-07,4.101136710232822e-07,3.684895659716858e-07,3.0275046469796507e-07,2.532941891786322e-07,2.1513523051908123e-07,1.850579565143562e-07,1.6089039434064034e-07,8.99057894798716e-08,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,, 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diff --git a/tests/test_ims.py b/tests/test_ims.py index cfef7d63..7f59a58a 100644 --- a/tests/test_ims.py +++ b/tests/test_ims.py @@ -4,342 +4,160 @@ import multiprocessing from collections.abc import Callable from pathlib import Path -from typing import Optional import numpy as np import numpy.typing as npt import pandas as pd import pytest import xarray as xr -from hypothesis import assume, given, settings +from hypothesis import given, settings from hypothesis import strategies as st from hypothesis.extra import numpy as nst from numpy.testing import assert_array_almost_equal +from pytest import Metafunc, TempPathFactory from IM import im_calculation, ims, snr_calculation, waveform_reading from IM.scripts import gen_ko_matrix -KO_TEST_DIR = Path(__file__).parent / "KO_matrices" - @pytest.fixture(scope="session", autouse=True) -def generate_ko_matrices(request: pytest.FixtureRequest): - """ - Generate the KO matrices for testing, also test that the KO matrix gen script works. - """ - # Make the KO matrices directory - KO_TEST_DIR.mkdir(exist_ok=True) - gen_ko_matrix.main(KO_TEST_DIR, num_to_gen=12) - - # Add finalizer to remove the KO matrices directory - def remove_ko_matrices(): - for file in KO_TEST_DIR.glob("*"): - file.unlink() - KO_TEST_DIR.rmdir() - - request.addfinalizer(remove_ko_matrices) +def ko_matrices( + request: pytest.FixtureRequest, tmp_path_factory: TempPathFactory +) -> Path: + ko_matrix_directory = tmp_path_factory.mktemp("ko_matrices") + gen_ko_matrix.main(ko_matrix_directory, num_to_gen=12) + return ko_matrix_directory -# Common test fixtures @pytest.fixture -def sample_time(): - """Generate sample time array.""" - return np.arange(0, 1, 0.01, dtype=np.float32) +def sample_time() -> npt.NDArray[np.float64]: + return np.arange(0, 1, 0.01, dtype=np.float64) @pytest.fixture -def sample_waveforms(): - """Generate sample waveform data for testing.""" - t = np.arange(0, 1, 0.01, dtype=np.float32) - freq = 5.0 # Hz +def sample_waveforms() -> npt.NDArray[np.float64]: + """Generate sample waveform data in (n_components, n_stations, nt) shape.""" + t = np.arange(0, 1, 0.01, dtype=np.float64) + freq = 5.0 stations = 2 - # Create synthetic acceleration time histories acc_0 = np.sin(2 * np.pi * freq * t) acc_90 = 2 * np.cos(2 * np.pi * freq * t) acc_ver = 0.5 * np.sin(2 * np.pi * freq * t) - # Stack for multiple stations - waveforms = np.zeros((stations, len(t), 3), dtype=np.float32) + waveforms = np.zeros((3, stations, len(t)), dtype=np.float64) for i in range(stations): - waveforms[i, :, ims.Component.COMP_0] = acc_0 - waveforms[i, :, ims.Component.COMP_90] = acc_90 - waveforms[i, :, ims.Component.COMP_VER] = acc_ver + waveforms[ims.Component.COMP_0, i, :] = acc_0 + waveforms[ims.Component.COMP_90, i, :] = acc_90 + waveforms[ims.Component.COMP_VER, i, :] = acc_ver return waveforms @pytest.fixture -def sample_periods(): +def sample_periods() -> npt.NDArray[np.float64]: """Generate sample periods for PSA calculation.""" - return np.array([0.1, 0.2, 0.5, 1.0], dtype=np.float32) - - -# Test cases for Newmark PSA estimation -@pytest.mark.parametrize("xi", [0.01, 0.05, 0.1]) -@pytest.mark.parametrize( - "gamma,beta", - [ - (0.5, 0.25), # Standard Newmark - (0.6, 0.3), # Modified parameters - ], -) -def test_newmark_estimate_psa( - sample_waveforms: npt.NDArray[np.float32], - sample_time: npt.NDArray[np.float32], - xi: np.float32, - gamma: np.float32, - beta: np.float32, -): - """Test Newmark PSA estimation with various parameters.""" - dt = sample_time[1] - sample_time[0] - w = 2 * np.pi * np.array([1.0, 2.0], dtype=np.float32) - - result = ims.newmark_estimate_psa( - sample_waveforms[:, :, ims.Component.COMP_0], - dt, - w, - xi=xi, - gamma=gamma, - beta=beta, - ) - - # Basic checks - assert result.shape == (len(sample_waveforms), len(sample_time), len(w)) - assert not np.any(np.isnan(result)) - assert not np.any(np.isinf(result)) - - -# Test cases for rotd PSA values -def test_rotd_psa_values(): - """Test rotation of PSA values. Assumes that the psa for angular frequency 1 is constant 1 for comp 0 and comp 90. - Checks that rotd_psa_values calculates cos(theta) * comp_0 + sin(theta) * comp_90 and maximises correctly by checking the maximum rotated psa value - is 2 * pi^2 * sqrt(2). - """ - w = 2 * np.pi * np.array([1.0]) - comp_0 = np.atleast_3d(np.ones((2, 100), dtype=np.float32)) - comp_90 = np.atleast_3d(np.ones((2, 100), dtype=np.float32)) + return np.array([0.1, 0.2, 0.5, 1.0], dtype=np.float64) - result = ims.rotd_psa_values(comp_0, comp_90, w) - # Shape checks - assert result.shape == (len(comp_0), len(w), 3) - assert result[0, 0, 2] == pytest.approx((2 * np.pi) ** 2 * np.sqrt(2), abs=1e-3) +# NOTE: The following unit tests PGA and PGV exist because there is no direct implementation of PGA/PGV in the rust code. -# Test cases for significant duration @pytest.mark.parametrize( - "percent_low,percent_high", + "comp_0,expected_pga", [ - (5, 75), # DS575 - (5, 95), # DS595 - (20, 80), # Custom range + (np.ones((10,), dtype=np.float64), 1), + (np.linspace(0, 1, num=10, dtype=np.float64) ** 2, 1), + (2 * np.sin(np.linspace(0, 2 * np.pi, 50)) - 1, 3), ], ) -def test_significant_duration( - sample_waveforms: npt.NDArray[np.float32], - sample_time: npt.NDArray[np.float32], - percent_low: float, - percent_high: float, -): - """Test significant duration calculation.""" - dt = 0.01 - - result = ims.significant_duration( - sample_waveforms[:, :, 0], dt, percent_low, percent_high - ) - - # Basic checks - assert result.shape == (len(sample_waveforms),) - assert np.all(result >= 0) - assert np.all(result <= len(sample_time) * dt) +def test_pga(comp_0: npt.NDArray[np.float64], expected_pga: float) -> None: + # Shape (n_comp, n_stat, nt) + waveforms = np.zeros((3, 1, len(comp_0)), dtype=np.float64) + waveforms[ims.Component.COMP_0, 0, :] = comp_0 + result = ims.peak_ground_acceleration(waveforms, cores=1) + assert np.isclose(result["000"].iloc[0], expected_pga, atol=1e-3) @pytest.mark.parametrize( - "comp_0,expected_pga,use_numexpr", + "comp_0,t_max,expected_pgv", [ - (np.ones((3,), dtype=np.float32), 1, True), - (np.linspace(0, 1, num=10, dtype=np.float32) ** 2, 1, True), - (2 * np.sin(np.linspace(0, 2 * np.pi)) - 1, 3, True), - (2 * np.sin(np.linspace(0, 2 * np.pi)) - 1, 3, False), - ], -) -def test_pga(comp_0: npt.NDArray[np.float32], expected_pga: float, use_numexpr: bool): - waveforms = np.zeros((1, len(comp_0), 3), dtype=np.float32) - waveforms[:, :, ims.Component.COMP_0] = comp_0 - assert np.isclose( - ims.peak_ground_acceleration(waveforms, use_numexpr=use_numexpr)["000"], - expected_pga, - atol=1e-3, - ) - - -@pytest.mark.parametrize( - "comp_0,t_max,expected_pgv,use_numexpr", - [ - (np.ones((100,), dtype=np.float32), 1, 981, True), - (np.linspace(0, 1, num=100, dtype=np.float32) ** 2, 1, 981 / 3, True), + (np.ones((100,), dtype=np.float64), 1, 981), + (np.linspace(0, 1, num=100, dtype=np.float64) ** 2, 1, 981 / 3), ( - 2 * np.sin(np.linspace(0, 2 * np.pi, num=100, dtype=np.float32)) - 1, + 2 * np.sin(np.linspace(0, 2 * np.pi, num=100, dtype=np.float64)) - 1, 2 * np.pi, 981 * 2 * np.pi, - True, ), ( - 2 * np.sin(np.linspace(0, 2 * np.pi, num=100, dtype=np.float32)) - 1, + 2 * np.sin(np.linspace(0, 2 * np.pi, num=100, dtype=np.float64)) - 1, 2 * np.pi, 981 * 2 * np.pi, - False, ), ], ) def test_pgv( - comp_0: npt.NDArray[np.float32], - t_max: float, - expected_pgv: float, - use_numexpr: bool, -): - waveforms = np.zeros((1, len(comp_0), 3), dtype=np.float32) - waveforms[:, :, ims.Component.COMP_0] = comp_0 - # NOTE: This dt calculation is correct, if dt = 1 / len(comp_0) then dt - # ends up *too small* and these tests will fail. + comp_0: npt.NDArray[np.float64], t_max: float, expected_pgv: float +) -> None: + waveforms = np.zeros((3, 1, len(comp_0)), dtype=np.float64) + waveforms[ims.Component.COMP_0, 0, :] = comp_0 dt = t_max / (len(comp_0) - 1) - assert np.isclose( - ims.peak_ground_velocity(waveforms, dt, use_numexpr=use_numexpr)["000"], - expected_pgv, - atol=0.1, - ) + result = ims.peak_ground_velocity(waveforms, dt, cores=1) + assert np.isclose(result["000"].iloc[0], expected_pgv, atol=0.1) +# CAV5 is partly a python function, so we test expected CAV5 results. CAV tests are in rust. @pytest.mark.parametrize( - "comp_0,t_max,expected_pgd,use_numexpr", + "comp_0,t_max,expected_cav5", [ - (np.ones((100,), dtype=np.float32), 1, 0.5 * 981, True), - (np.linspace(0, 1, num=100, dtype=np.float32) ** 2, 1, 0.5 * 981 / 6, True), + (np.ones((100,), dtype=np.float64), 1, 9.81), ( - 2 * np.sin(np.linspace(0, 2 * np.pi, num=100, dtype=np.float32)) - 1, - 2 * np.pi, - 7040.69, # (the trapezoidal result for N=100 samples) - should be 981 * 2 * np.pi * (np.pi - 2) - True, - ), - ( - 2 * np.sin(np.linspace(0, 2 * np.pi, num=100, dtype=np.float32)) - 1, - 2 * np.pi, - 7040.69, # (the trapezoidal result for N=100 samples) - should be 981 * 2 * np.pi * (np.pi - 2) - False, - ), - ], -) -def test_pgd( - comp_0: npt.NDArray[np.float32], - t_max: float, - expected_pgd: float, - use_numexpr: bool, -): - waveforms = np.zeros((1, len(comp_0), 3), dtype=np.float32) - waveforms[:, :, ims.Component.COMP_0] = comp_0 - dt = t_max / (len(comp_0) - 1) - result = ims.peak_ground_displacement(waveforms, dt, use_numexpr=use_numexpr) - assert np.isclose(result["000"], expected_pgd, atol=0.1) - -@pytest.mark.parametrize( - "comp_0,t_max,expected_cav,expected_cav5", - [ - (np.ones((100,), dtype=np.float32), 1, 9.81, 9.81), - ( - np.linspace(0, 1, num=100, dtype=np.float32) ** 2, + np.linspace(0, 1, num=100, dtype=np.float64) ** 2, 1, - 9.81 / 3, 9.81 / 3 * (1 - np.sqrt(5 / 981) ** 3), ), - ( - 2 * np.sin(np.linspace(0, 2 * np.pi, num=1000, dtype=np.float32)) - 1, - 2 * np.pi, - 9.81 * 2 / 3 * (6 * np.sqrt(3) + np.pi), - None, - ), - ], -) -def test_cav( - comp_0: npt.NDArray[np.float32], - t_max: float, - expected_cav: float, - expected_cav5: Optional[float], -): - waveforms = np.zeros((1, len(comp_0), 3), dtype=np.float32) - waveforms[:, :, ims.Component.COMP_0] = comp_0 - dt = t_max / (len(comp_0) - 1) - assert np.isclose( - ims.cumulative_absolute_velocity(waveforms, dt)["000"], expected_cav, atol=0.1 - ) - if expected_cav5: - assert np.isclose( - ims.cumulative_absolute_velocity(waveforms, dt, threshold=5)["000"], - expected_cav5, - atol=0.1, - ) - - -@pytest.mark.parametrize( - "comp_0,t_max,expected_ai", - [ - (np.ones((100,), dtype=np.float32), 1, np.pi * 9.81 / 2), - (np.linspace(0, 1, num=100, dtype=np.float32) ** 2, 1, np.pi * 9.81 / (2 * 5)), ], ) -def test_ai_values(comp_0: npt.NDArray[np.float32], t_max: float, expected_ai: float): - waveforms = np.zeros((1, len(comp_0), 3), dtype=np.float32) - waveforms[:, :, ims.Component.COMP_0] = comp_0 +def test_cav5( + comp_0: npt.NDArray[np.float64], t_max: float, expected_cav5: float +) -> None: + waveforms = np.zeros((3, 1, len(comp_0)), dtype=np.float64) + waveforms[ims.Component.COMP_0] = comp_0 dt = t_max / (len(comp_0) - 1) - assert np.isclose(ims.arias_intensity(waveforms, dt)["000"], expected_ai, atol=0.1) - - -@pytest.mark.parametrize("use_numexpr", [True, False]) -def test_psa(use_numexpr: bool): - comp_0 = np.ones((100,), dtype=np.float32) - waveforms = np.zeros((2, len(comp_0), 3), dtype=np.float32) - waveforms[0, :, ims.Component.COMP_0] = comp_0 - waveforms[1, :, ims.Component.COMP_0] = comp_0 - dt = np.float32(0.01) - w = np.array([1, 2], dtype=np.float32) - psa_values = ims.pseudo_spectral_acceleration( - waveforms, w, dt, use_numexpr=use_numexpr - ) - # assert psa is close to the expected psa derived by solving the ODE in - # Wolfram Alpha and finding the abs max. - assert np.allclose( - psa_values.sel(station=0, period=1.0, component="000"), 1.8544671, atol=5e-3 + assert np.isclose( + ims.cumulative_absolute_velocity(waveforms, dt, 1, threshold=5)["000"], + expected_cav5, + atol=0.1, ) -@pytest.mark.parametrize("cores", [1, multiprocessing.cpu_count()]) -def test_fas_benchmark(cores: int): - """Compare benchmark FAS calculation against current implementation.""" - # Load the data array +@pytest.mark.parametrize("cores", [1, 2]) +@pytest.mark.slow +def test_fas_benchmark(cores: int, ko_matrices: Path) -> None: data_array_ffp = Path(__file__).parent / "resources" / "fas_benchmark.nc" + if not data_array_ffp.exists(): + pytest.skip("Benchmark file missing") data = xr.open_dataarray(data_array_ffp) - # Read the example waveform data_dir = Path(__file__).parent.parent / "examples" / "resources" - comp_000_ffp = data_dir / "2024p950420_MWFS_HN_20.000" - comp_090_ffp = data_dir / "2024p950420_MWFS_HN_20.090" - comp_ver_ffp = data_dir / "2024p950420_MWFS_HN_20.ver" - # Read the files to a waveform array that's readable by IM Calculation - dt, waveform = waveform_reading.read_ascii(comp_000_ffp, comp_090_ffp, comp_ver_ffp) - - # Compute the Fourier Amplitude Spectra + dt, waveform = waveform_reading.read_ascii( + data_dir / "2024p950420_MWFS_HN_20.000", + data_dir / "2024p950420_MWFS_HN_20.090", + data_dir / "2024p950420_MWFS_HN_20.ver", + ) + waveform = np.ascontiguousarray(np.moveaxis(waveform, -1, 0)) + # Input: (n_stations, nt, n_components) as per fourier_amplitude_spectra logic fas_result_ims = ims.fourier_amplitude_spectra( - waveform, dt, data.frequency, KO_TEST_DIR, cores=cores + waveform, dt, data.frequency.values, ko_matrices, cores=cores ) - # Compare the results - assert_array_almost_equal(data, fas_result_ims, decimal=5) + assert_array_almost_equal(data.values, fas_result_ims.values, decimal=5) @pytest.mark.parametrize("cores", [1, multiprocessing.cpu_count()]) -def test_fas_multiple_stations_benchmark(cores: int): +def test_fas_multiple_stations_benchmark(cores: int, ko_matrices: Path) -> None: """Compare benchmark FAS calculation with multiple stations against current implementation.""" # Load the data array data_array_ffp = Path(__file__).parent / "resources" / "fas_benchmark.nc" @@ -353,13 +171,13 @@ def test_fas_multiple_stations_benchmark(cores: int): # Read the files to a waveform array that's readable by IM Calculation dt, waveform = waveform_reading.read_ascii(comp_000_ffp, comp_090_ffp, comp_ver_ffp) - + waveform = np.ascontiguousarray(np.moveaxis(waveform, -1, 0)) # Duplicate the waveform array to simulate multiple stations (2 stations) - duplicated_array = np.tile(waveform, (2, 1, 1)) + duplicated_array = np.tile(waveform, (1, 2, 1)) # Compute the Fourier Amplitude Spectra fas_result_ims = ims.fourier_amplitude_spectra( - duplicated_array, dt, data.frequency, KO_TEST_DIR, cores=cores + duplicated_array, dt, data.frequency, ko_matrices, cores=cores ) # Compare the results @@ -371,7 +189,8 @@ def test_fas_multiple_stations_benchmark(cores: int): ) -def test_snr_benchmark(): +@pytest.mark.slow +def test_snr_benchmark(ko_matrices: Path) -> None: """Compare benchmark SNR calculation against current implementation.""" # Load the DataFrame benchmark_ffp = Path(__file__).parent / "resources" / "snr_benchmark.csv" @@ -385,21 +204,23 @@ def test_snr_benchmark(): # Read the files to a waveform array that's readable by IM Calculation dt, waveform = waveform_reading.read_ascii(comp_000_ffp, comp_090_ffp, comp_ver_ffp) + waveform = np.ascontiguousarray(np.moveaxis(waveform, -1, 0)) # Index of the start of the P-wave tp = 3170 # Compute the SNR snr_result_ims, _, _, _, _ = snr_calculation.calculate_snr( - waveform, dt, tp, KO_TEST_DIR + waveform, dt, tp, ko_matrices ) # Compare the results - assert_array_almost_equal(data, snr_result_ims, decimal=5) + assert_array_almost_equal( + data.values.astype(float), snr_result_ims.values.astype(float), decimal=5 + ) -@pytest.mark.parametrize("use_numexpr", [True, False]) -def test_all_ims_benchmark(use_numexpr: bool): +def test_all_ims_benchmark(ko_matrices: Path) -> None: """Compare benchmark IM calculation against current implementation.""" # Load the DataFrame benchmark_ffp = Path(__file__).parent / "resources" / "im_benchmark.csv" @@ -416,18 +237,143 @@ def test_all_ims_benchmark(use_numexpr: bool): # Calculate the intensity measures result = im_calculation.calculate_ims( - waveform, dt, ko_directory=KO_TEST_DIR, use_numexpr=use_numexpr + waveform, + dt, + ko_directory=ko_matrices, ) - # Compare the results - assert_array_almost_equal(data, result, decimal=5) + for im in result.columns: + assert result[im].values == pytest.approx( + data.loc[result.index, im].values, abs=5e-4, rel=0.01, nan_ok=True + ), ( + f"Results for {im} do not match!\n{result}" + ) # 5e-6 implies rounding to five decimal places -@pytest.mark.parametrize( - "resource_dir", - [d for d in (Path(__file__).parent / "resources").iterdir() if d.is_dir()], -) -def test_all_ims_benchmark_edge_cases(resource_dir: Path): +# Assuming these are imported from your project context +# from your_module import waveform_reading, ims, im_calculation, BENCHMARK_CASES + + +def save_diff_html( + df_old: pd.DataFrame, + df_new: pd.DataFrame, + output_path: Path, + title: str = "DataFrame Difference", +) -> None: + """ + Generates an HTML file highlighting differences between two dataframes. + + Cells are colored based on the relative difference: + - >= 20%: Bold White on Red + - > 0%: Black on Salmon + - <= -20%: Bold White on Blue + - < 0%: Black on Light Blue + - No change / small change: Grey text + """ + # Align dataframes to ensure dimensions match + df_old, df_new = df_old.align(df_new, join="outer", axis=None) + + # Calculate differences + diff_abs = df_new - df_old + + # Calculate relative difference safely + with np.errstate(divide="ignore", invalid="ignore"): + diff_rel = (df_new - df_old) / df_old + + def style_diff(data: pd.DataFrame) -> pd.DataFrame: + """ + Styler function that receives the diff_abs DataFrame (data) + but uses the diff_rel DataFrame from the outer scope to determine colors. + """ + # Create a DataFrame of empty strings with same shape as data + styles = pd.DataFrame("", index=data.index, columns=data.columns) + + # Ensure diff_rel aligns with the subset currently being styled + # (Though with axis=None, 'data' is the full dataframe) + rel_aligned = diff_rel.loc[data.index, data.columns] + + # --- Define Styles (Matching Rich output) --- + style_high_pos = ( + "background-color: #d9534f; color: white; font-weight: bold;" # Strong Red + ) + style_low_pos = "background-color: #ffcccb; color: black;" # Salmon + style_high_neg = ( + "background-color: #0275d8; color: white; font-weight: bold;" # Strong Blue + ) + style_low_neg = "background-color: #add8e6; color: black;" # Light Blue + style_dim = "color: #999999;" # Dim/Grey + + # --- Apply Logic --- + + # 1. Dim (Small changes or NaNs in relative diff) + # Note: We use .fillna(False) to handle NaNs in the boolean mask creation + is_small_change = (rel_aligned.abs() < 0.05) | (data.abs() < 1e-6) + mask_dim = is_small_change | rel_aligned.isna() + styles[mask_dim] = style_dim + + # 2. Strong Positive (>= 20%) + mask_high_pos = (rel_aligned >= 0.20) & ~mask_dim + styles[mask_high_pos] = style_high_pos + + # 3. Low Positive (> 0 and < 20%) + mask_low_pos = (rel_aligned > 0) & (rel_aligned < 0.20) & ~mask_dim + styles[mask_low_pos] = style_low_pos + + # 4. Strong Negative (<= -20%) + mask_high_neg = (rel_aligned <= -0.20) & ~mask_dim + styles[mask_high_neg] = style_high_neg + + # 5. Low Negative (< 0 and > -20%) + mask_low_neg = (rel_aligned < 0) & (rel_aligned > -0.20) & ~mask_dim + styles[mask_low_neg] = style_low_neg + + return styles + + # Create the Styler object + # We display diff_abs, but color it based on relative diff logic + styler = ( + diff_abs.style.apply(style_diff, axis=None) + .format("{:+.3g}", na_rep="-") + .set_caption(title) + .set_table_styles( + [ + { + "selector": "caption", + "props": [("font-size", "1.5em"), ("font-weight", "bold")], + }, + { + "selector": "th", + "props": [ + ("background-color", "#f2f2f2"), + ("text-align", "center"), + ], + }, + { + "selector": "td", + "props": [("padding", "5px"), ("border", "1px solid #ddd")], + }, + ] # type: ignore[invalid-argument-type] + ) + ) + + # Save to file + with open(output_path, "w") as f: + f.write(styler.to_html()) + + +def pytest_generate_tests(metafunc: Metafunc) -> None: + if "resource_dir" in metafunc.fixturenames: + benchmark_cases = [ + d for d in (Path(__file__).parent / "resources").iterdir() if d.is_dir() + ] + metafunc.parametrize("resource_dir", benchmark_cases, ids=lambda p: p.stem) + + +@pytest.mark.parametrize("cores", [1, multiprocessing.cpu_count()]) +@pytest.mark.slow +def test_all_ims_benchmark_edge_cases( + resource_dir: Path, cores: int, ko_matrices: Path +) -> None: """Compare benchmark IM calculation against current implementation for each directory in resources for edge cases.""" # Load the benchmark DataFrame benchmark_ffp = resource_dir / "im_benchmark.csv" @@ -440,99 +386,140 @@ def test_all_ims_benchmark_edge_cases(resource_dir: Path): # Read the files to a waveform array that's readable by IM Calculation dt, waveform = waveform_reading.read_ascii(comp_000_ffp, comp_090_ffp, comp_ver_ffp) + nt = waveform.shape[1] + + im_list = [ + ims.IM.PGA, + ims.IM.PGV, + ims.IM.CAV, + ims.IM.CAV5, + ims.IM.Ds575, + ims.IM.Ds595, + ims.IM.AI, + ims.IM.pSA, + ] + + # If the record is too long the test will fail because of missing KO matrices + have_ko_matrix = np.ceil(np.log2(nt)) < 15 + if have_ko_matrix: + im_list.append(ims.IM.FAS) # Calculate the intensity measures - result = im_calculation.calculate_ims(waveform, dt, ko_directory=KO_TEST_DIR) + result = im_calculation.calculate_ims( + waveform, dt, ims_list=im_list, ko_directory=ko_matrices, cores=cores + ) - # Compare the results - assert_array_almost_equal(data, result, decimal=5) + # Align columns and indices for comparison + expected = data.loc[result.index, result.columns] + + # Check for failure + if not np.allclose( + result.values, expected.values, atol=5e-4, rtol=0.01, equal_nan=True + ): + # Define output filename + diff_filename = f"diff_fail_{resource_dir.stem}.html" + diff_path = Path.cwd() / diff_filename # Or use a specific artifacts dir + + print(f"\n[!] Benchmark mismatch. Saving HTML diff report to: {diff_path}") + + # Select only pSA columns as per original logic, or remove filter to show all + save_diff_html( + expected, # type: ignore[invalid-argument] + result, + output_path=diff_path, + title=f"Differences for {resource_dir.stem}", + ) + + # Perform standard assertions + for im in result.columns: + assert result[im].values == pytest.approx( + data.loc[result.index, im].values, abs=5e-4, rel=0.01, nan_ok=True + ), f"Results for {im} do not match!\n{result}" -@pytest.mark.parametrize("use_numexpr", [True, False]) -def test_ds5xx(use_numexpr: bool): - comp_0 = np.ones((100,), dtype=np.float32) - waveforms = np.zeros((1, len(comp_0), 3), dtype=np.float32) - waveforms[:, :, ims.Component.COMP_0] = comp_0 - # To stop invalid value errors when dividing by zero in other components - waveforms[:, :, ims.Component.COMP_90] = comp_0 * 2 - waveforms[:, :, ims.Component.COMP_VER] = comp_0 * 3 - t_max = 1 - dt = t_max / len(comp_0) - assert ims.ds575(waveforms, dt, use_numexpr)["000"].iloc[0] == pytest.approx(0.7) - assert ims.ds595(waveforms, dt, use_numexpr)["000"].iloc[0] == pytest.approx(0.9) +# Significant duration calculations are a combination of two +# independently tested rust functions, this integration test checks +# they are called correctly through the python interface + + +@pytest.mark.parametrize("percent_low,percent_high", [(5, 75), (5, 95), (20, 80)]) +def test_significant_duration( + sample_waveforms: npt.NDArray[np.float64], + sample_time: npt.NDArray[np.float64], + percent_low: float, + percent_high: float, +) -> None: + dt = 0.01 + result = ims.significant_duration( + sample_waveforms, dt, percent_low, percent_high, cores=1 + ) + + assert result.shape == (sample_waveforms.shape[1], 4) # 4 components + assert np.all(result.values >= 0) + assert np.all(result.values <= len(sample_time) * dt) -# Test cases for peak ground motion parameters +def test_ds5xx() -> None: + comp_0 = np.ones((100,), dtype=np.float64) + waveforms = np.zeros((3, 1, len(comp_0)), dtype=np.float64) + waveforms[ims.Component.COMP_0, 0, :] = comp_0 + waveforms[ims.Component.COMP_90, 0, :] = comp_0 * 2 + waveforms[ims.Component.COMP_VER, 0, :] = comp_0 * 3 + dt = 1.0 / len(comp_0) + + assert ims.ds575(waveforms, dt, cores=1)["000"].iloc[0] == pytest.approx(0.7) + assert ims.ds595(waveforms, dt, cores=1)["000"].iloc[0] == pytest.approx(0.9) + + +# Contract guarantee on output shapes @pytest.mark.parametrize( "func", [ ims.peak_ground_acceleration, ims.peak_ground_velocity, + ims.arias_intensity, ims.cumulative_absolute_velocity, ], ) def test_peak_ground_parameters( - sample_waveforms: npt.NDArray[np.float32], - sample_time: npt.NDArray[np.float32], + sample_waveforms: npt.NDArray[np.float64], + sample_time: npt.NDArray[np.float64], func: Callable, -): - """Test peak ground motion parameter calculations.""" - dt = sample_time[1] - sample_time[0] +) -> None: + dt = float(sample_time[1] - sample_time[0]) if func == ims.peak_ground_acceleration: - result = func(sample_waveforms) + result = func(sample_waveforms, cores=1) else: - result = func(sample_waveforms, dt) - - # Check DataFrame structure - assert isinstance(result, pd.DataFrame) - columns = ["000", "090", "ver", "geom"] - if func != ims.cumulative_absolute_velocity: - columns.extend(["rotd0", "rotd50", "rotd100"]) - assert set(columns) == set(result.columns.tolist()) - # Check values - assert np.all(result >= 0) # All values should be non-negative - - -# Test cases for Arias Intensity -def test_arias_intensity( - sample_waveforms: npt.NDArray[np.float32], sample_time: npt.NDArray[np.float32] -): - """Test Arias Intensity calculation.""" - dt = sample_time[1] - sample_time[0] + result = func(sample_waveforms, dt, cores=1) - result = ims.arias_intensity(sample_waveforms, dt) - - # Check DataFrame structure assert isinstance(result, pd.DataFrame) - assert set(result.columns.tolist()) == {"000", "090", "ver", "geom"} - # Check values + assert set(result.columns) >= {"000", "090", "ver", "geom"} assert np.all(result.select_dtypes(include=[np.number]) >= 0) - # Check geom calculation - assert_array_almost_equal(result["geom"], np.sqrt(result["000"] * result["090"])) # Test cases for Fourier Amplitude Spectra -@pytest.mark.parametrize("n_freqs", [5, 10]) +@pytest.mark.parametrize("n_freqs", [1024, 2048]) def test_fourier_amplitude_spectra( - sample_waveforms: npt.NDArray[np.float32], - sample_time: npt.NDArray[np.float32], + sample_waveforms: npt.NDArray[np.float64], + sample_time: npt.NDArray[np.float64], + ko_matrices: Path, n_freqs: int, -): +) -> None: """Test Fourier Amplitude Spectra calculation.""" dt = sample_time[1] - sample_time[0] - freqs = np.logspace(-1, 1, n_freqs, dtype=np.float32) + freqs = np.logspace(-1, 1, n_freqs, dtype=np.float64) # Force the multiprocessing code path if necessary. result_mp = ims.fourier_amplitude_spectra( sample_waveforms, dt, freqs, - KO_TEST_DIR, + ko_matrices, cores=max(2, multiprocessing.cpu_count()), ) # Force the single core path. result_sc = ims.fourier_amplitude_spectra( - sample_waveforms, dt, freqs, KO_TEST_DIR, cores=1 + sample_waveforms, dt, freqs, ko_matrices, cores=1 ) # Check DataFrame structure @@ -544,7 +531,7 @@ def test_fourier_amplitude_spectra( assert np.allclose(result_mp.as_numpy(), result_sc.as_numpy()) -def test_nyquist_frequency(): +def test_nyquist_frequency(ko_matrices: Path) -> None: # Define test parameters n_stations = 2 n_timesteps = 1024 @@ -553,14 +540,14 @@ def test_nyquist_frequency(): nyquist_frequency = 1 / (2 * dt) # Generate test waveforms (random data for simplicity) - waveforms = np.random.rand(n_stations, n_timesteps, n_components).astype(np.float32) + waveforms = np.random.rand(n_components, n_stations, n_timesteps).astype(np.float64) # Define frequencies, including some above the Nyquist frequency freqs = np.array( - [1.0, 10.0, 20.0, 60.0], dtype=np.float32 + [1.0, 10.0, 20.0, 60.0], dtype=np.float64 ) # 60 Hz > Nyquist (50 Hz) with pytest.warns(RuntimeWarning): - fas = ims.fourier_amplitude_spectra(waveforms, dt, freqs, KO_TEST_DIR) + fas = ims.fourier_amplitude_spectra(waveforms, dt, freqs, ko_matrices) # Verify that frequencies above Nyquist are filtered out expected_freqs = freqs[freqs <= nyquist_frequency] @@ -570,21 +557,6 @@ def test_nyquist_frequency(): assert fas.shape == (5, n_stations, len(expected_freqs)), "Unexpected FAS shape." -# Error test cases -def test_invalid_memory_allocation(): - """Test handling of invalid memory allocation.""" - waveforms = np.zeros((2, 100, 3), dtype=np.float32) - periods = np.array([0.1], dtype=np.float32) - - with pytest.raises(ValueError, match="PSA rotd memory allocation is too small"): - ims.pseudo_spectral_acceleration( - waveforms, - periods, - np.float32(0.01), - psa_rotd_maximum_memory_allocation=1e-10, - ) - - @pytest.mark.parametrize( "invalid_shape", [ @@ -592,114 +564,98 @@ def test_invalid_memory_allocation(): (2, 100), # Missing component dimension ], ) -def test_invalid_waveform_shapes(invalid_shape: tuple[int, ...]): +def test_invalid_waveform_shapes(invalid_shape: tuple[int, ...]) -> None: """Test handling of invalid waveform shapes.""" - waveforms = np.zeros(invalid_shape, dtype=np.float32) - - with pytest.raises((ValueError, IndexError)): - ims.peak_ground_acceleration(waveforms) + waveforms = np.zeros(invalid_shape, dtype=np.float64) + with pytest.raises((TypeError)): + ims.peak_ground_acceleration(waveforms, cores=1) # type: ignore[invalid-argument-type] -# Edge cases -def test_zero_waveform(): - """Test behavior with zero-amplitude waveforms.""" - waveforms = np.zeros((2, 100, 3), dtype=np.float32) - # Test various intensity measures with zero input - pga_result = ims.peak_ground_acceleration(waveforms) - - # All results should be zero - assert np.all(pga_result.select_dtypes(include=[np.number]) == 0) - - -@pytest.mark.parametrize("duration", [100, 200, 1000]) -def test_numerical_stability(duration: int): - """Test numerical stability with different duration lengths.""" +@pytest.mark.slow +def test_fourier_amplitude_spectra_shape(ko_matrices: Path) -> None: + n_stations, n_timesteps, n_components = 2, 1024, 3 dt = 0.01 - t = np.arange(0, duration * dt, dt, dtype=np.float32) - waveforms = np.zeros((2, len(t), 3), dtype=np.float32) - # Add sine wave - waveforms[:, :, ims.Component.COMP_0] = np.sin(2 * np.pi / (duration * dt) * t) - - result = ims.peak_ground_acceleration(waveforms) + waveforms = np.random.rand(n_components, n_stations, n_timesteps).astype(np.float64) + freqs = np.array([1.0, 10.0, 20.0], dtype=np.float64) - # Maximum should be close to 1.0 regardless of duration - assert_array_almost_equal(result["000"], 1.0, decimal=5) - # The others should just be 0.0 - assert_array_almost_equal(result["090"], 0.0, decimal=5) + fas = ims.fourier_amplitude_spectra(waveforms, dt, freqs, ko_matrices, cores=1) + assert fas.shape == ( + 5, + n_stations, + len(freqs), + ) # 5 components: 0, 90, ver, geom, eas +# Asserts that the RotDx values of PGA, PGV and pSA are invariant of the order of 000 and 090. @given( - func=st.sampled_from( - [ - ims.peak_ground_acceleration, - ims.peak_ground_velocity, - ] - ), waveform=nst.arrays( - np.float32, - shape=st.tuples(st.integers(2, 10), st.integers(2, 10), st.just(3)), - # Weird number is closest 32-bit floating point value to 0.01 - elements=st.floats(0.009999999776482582, 1, width=32).flatmap( + np.float64, + shape=st.tuples(st.just(3), st.integers(2, 10), st.integers(10, 100)), + elements=st.floats(0.01, 1, width=64).flatmap( lambda x: st.sampled_from([-1, 1]).flatmap(lambda sign: st.just(sign * x)) ), ), + im=st.sampled_from( + [ + functools.partial(ims.peak_ground_acceleration, cores=1), + functools.partial(ims.peak_ground_velocity, dt=0.01, cores=1), + functools.partial( + ims.pseudo_spectral_acceleration, + periods=np.array([1.0]), + dt=0.01, + cores=1, + ), + ] + ), ) @settings(deadline=None) -def test_rotational_invariance(waveform: npt.NDArray[np.float32], func: Callable): - # DS595 and DS575 won't work if the waveform has values that are too small. - assume( - all( - np.any( - np.abs( - np.cos(np.radians(theta)) * waveform[:, :, 1] - + np.sin(np.radians(theta)) * waveform[:, :, 0] - ) - > 1e-5, - axis=1, - ).all() - for theta in range(180) - ) - ) - if func != ims.peak_ground_acceleration: - dt = 0.01 - func = functools.partial(func, dt=dt) +@pytest.mark.slow +def test_rotational_invariance( + waveform: npt.NDArray[np.float64], + im: Callable[[ims.ChunkedWaveformArray], pd.DataFrame | xr.DataArray], +) -> None: old_waveform = np.copy(waveform) - waveform_ims = func(waveform) + waveform_ims = im(old_waveform) assert np.allclose(old_waveform, waveform) - waveform_ims_transposed = func(waveform[:, :, [1, 0, 2]]) - - assert_array_almost_equal( - waveform_ims["rotd0"], waveform_ims_transposed["rotd0"], decimal=3 - ) - assert_array_almost_equal( - waveform_ims["rotd50"], waveform_ims_transposed["rotd50"], decimal=3 - ) - assert_array_almost_equal( - waveform_ims["rotd100"], waveform_ims_transposed["rotd100"], decimal=3 - ) + waveform_ims_transposed = im(waveform[[1, 0, 2]]) + if isinstance(waveform_ims_transposed, pd.DataFrame) and isinstance( + waveform_ims, pd.DataFrame + ): + for component in ["rotd0", "rotd50", "rotd100"]: + value = waveform_ims[component].values + value_t = waveform_ims_transposed[component].values + assert value == pytest.approx(value_t) + else: + assert isinstance(waveform_ims, xr.DataArray) + assert isinstance(waveform_ims_transposed, xr.DataArray) + for component in ["rotd0", "rotd50", "rotd100"]: + value = waveform_ims.sel(component=component).values.squeeze() + value_t = waveform_ims_transposed.sel(component=component).values.squeeze() + assert value == pytest.approx(value_t) +# Asserts that 090, 000, and ver components are computed for the corresponding COMP_* enum values. @given( waveform=nst.arrays( - np.float32, - shape=st.tuples(st.integers(2, 10), st.integers(2, 10), st.just(3)), - elements=st.floats(-1, 1, width=32), - ), + np.float64, + shape=(3, 2, 10), # (n_comp, n_stat, nt) + elements=st.floats(0.1, 1), + ) ) @settings(deadline=None) -def test_component_orientation(waveform: npt.NDArray[np.float32]): - waveform_ims = ims.peak_ground_acceleration(waveform) +def test_component_orientation(waveform: npt.NDArray[np.float64]) -> None: + waveform_ims = ims.peak_ground_acceleration(waveform, cores=1) assert_array_almost_equal( - waveform_ims["000"], - np.abs(waveform[:, :, ims.Component.COMP_0]).max(axis=1), + waveform_ims["000"].values, # type: ignore[invalid-argument-type] + np.abs(waveform[ims.Component.COMP_0]).max(axis=1), ) assert_array_almost_equal( - waveform_ims["090"], - np.abs(waveform[:, :, ims.Component.COMP_90]).max(axis=1), + waveform_ims["090"].values, # type: ignore[invalid-argument-type] + np.abs(waveform[ims.Component.COMP_90]).max(axis=1), ) assert_array_almost_equal( - 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