diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index fcfa4d4..756fbae 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -18,7 +18,7 @@ jobs: - uses: psf/black@stable with: options: "--check --verbose" - version: "22.1.0" + version: "22.3.0" build: name: build (${{ matrix.os }}, ${{ matrix.python-version }}) @@ -63,7 +63,7 @@ jobs: poetry-version: ${{ matrix.poetry-version }} - name: Install dependencies run: | - poetry install + poetry install -E pint poetry run pip install cf_units==3.0.1 - name: Test with pytest run: | diff --git a/CHANGELOG.rst b/CHANGELOG.rst index 137398f..a9fdf1dd 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -1,5 +1,14 @@ Changelog ========= + +v0.3.0 - Unreleased +------------------- +This release will focus on supporting Pint quantities. + +Highlights +`````````` +* If (at least 1) arguments are xarray.DataArray wrapped by pint-xarray, the result is wrapped into a pint-xarray quantity. + v0.2.1 - 2022-03-22 ------------------- Despite all the checking, we missed a bad bug. @@ -37,4 +46,4 @@ Breaking Changes v0.1.0 - 2021-12-15 ------------------- * Original release, was basically a proof of concept. - Only a few functions were wrapped. \ No newline at end of file + Only a few functions were wrapped. diff --git a/README.rst b/README.rst index d6f43e0..2937ee0 100644 --- a/README.rst +++ b/README.rst @@ -56,6 +56,69 @@ Outputs [-5.08964499 2.1101098 9.28348219] + +We support (but don't yet validate) the usage of pint.Quantities and the usage of xarray wrapped Quantities. +Support for pint requires the installation of two optional dependencies: ``pint`` and ``pint-xarray``. +If any of the inputs to a gsw function are Quantities, the returned object will also be a Quantity belonging to the same UnitRegistry. + +.. warning:: + + Quantities must all belong to the same pint.UnitRegistry, a ValueError will be thrown if there are mixed registries. + +.. code:: python + + import pint_xarray + import gsw_xarray as gsw + + # Create a xarray.Dataset + import numpy as np + import xarray as xr + ds = xr.Dataset() + id = np.arange(3) + ds['id'] = xr.DataArray(id, coords={'id':id}) + ds['CT'] = ds['id'] * 10 + # make sure there are unit attrs this time + ds['CT'].attrs = {'standard_name':'sea_water_conservative_temperature', 'units': 'degC'} + ds['SA'] = ds['id'] * 0.1 + 34 + ds['SA'].attrs = {'standard_name':'sea_water_absolute_salinity', 'units': 'g/kg'} + + # use the pint accessor to quantify things + ds = ds.pint.quantify() + + # Apply gsw functions + sigma0 = gsw.sigma0(SA=ds['SA'], CT=ds['CT']) + # outputs are now quantities! + print(sigma0) + +Outputs + +:: + + + + Coordinates: + * id (id) int64 0 1 2 + Attributes: + standard_name: sea_water_sigma_t + +The usage of xarray wrapped Quantities is not required, you can use pint directly (though the ``pint-xarray`` dep still needs to be installed). + +.. code:: python + + import gsw_xarray as gsw + import pint + ureg = pint.UnitRegistry() + SA = ureg.Quantity(35, ureg("g/kg")) + CT = ureg.Quantity(10, ureg.degC) + sigma0 = gsw.sigma0(SA=SA, CT=CT) + print(sigma0) + +Outputs + +:: + + 26.824644457868317 kilogram / meter ** 3 + Installation ------------ Pip diff --git a/gsw_xarray/_core.py b/gsw_xarray/_core.py index 467db91..4838a9b 100644 --- a/gsw_xarray/_core.py +++ b/gsw_xarray/_core.py @@ -1,4 +1,5 @@ from functools import wraps +from itertools import chain import gsw import xarray as xr @@ -7,6 +8,13 @@ from ._names import _names from ._check_funcs import _check_funcs +try: + import pint_xarray + import pint + +except ImportError: + pint_xarray = None + def add_attrs(rv, attrs, name): if isinstance(rv, xr.DataArray): @@ -14,17 +22,84 @@ def add_attrs(rv, attrs, name): rv.attrs = attrs +def quantify(rv, attrs, unit_registry=None): + if unit_registry is None: + return rv + + if isinstance(rv, xr.DataArray): + rv = rv.pint.quantify(unit_registry=unit_registry) + else: + if attrs is not None: + # Necessary to use the Q_ and not simply multiplication with ureg unit because of temperature + # see https://pint.readthedocs.io/en/latest/nonmult.html + rv = unit_registry.Quantity(rv, attrs["units"]) + return rv + + +def pint_compat(args, kwargs): + if pint_xarray is None: + return args, kwargs, None + + using_pint = False + new_args = [] + new_kwargs = {} + registries = [] + for arg in args: + if isinstance(arg, xr.DataArray): + if arg.pint.units is not None: + new_args.append(arg.pint.dequantify()) + registries.append(arg.pint.registry) + else: + new_args.append(arg) + elif isinstance(arg, pint.Quantity): + new_args.append(arg.magnitude) + registries.append(arg._REGISTRY) + else: + new_args.append(arg) + + for kw, arg in kwargs.items(): + if isinstance(arg, xr.DataArray): + if arg.pint.units is not None: + new_kwargs[kw] = arg.pint.dequantify() + registries.append(arg.pint.registry) + else: + new_kwargs[kw] = arg + elif isinstance(arg, pint.Quantity): + new_kwargs[kw] = arg.magnitude + registries.append(arg._REGISTRY) + else: + new_kwargs[kw] = arg + + registries = set(registries) + if len(registries) > 1: + raise ValueError("Quantity arguments must all belong to the same unit registry") + elif len(registries) == 0: + registries = None + else: + (registries,) = registries + return new_args, new_kwargs, registries + + def cf_attrs(attrs, name, check_func): def cf_attrs_decorator(func): @wraps(func) def cf_attrs_wrapper(*args, **kwargs): + args, kwargs, unit_registry = pint_compat(args, kwargs) rv = func(*args, **kwargs) attrs_checked = check_func(attrs, args, kwargs) if isinstance(rv, tuple): + rv_updated = [] for (i, da) in enumerate(rv): add_attrs(da, attrs_checked[i], name[i]) + rv_updated.append( + quantify(da, attrs_checked[i], unit_registry=unit_registry) + ) + + rv = tuple(rv_updated) + else: add_attrs(rv, attrs_checked, name) + rv = quantify(rv, attrs_checked, unit_registry=unit_registry) return rv return cf_attrs_wrapper diff --git a/gsw_xarray/tests/conftest.py b/gsw_xarray/tests/conftest.py index 1c9ef7f..6187aca 100644 --- a/gsw_xarray/tests/conftest.py +++ b/gsw_xarray/tests/conftest.py @@ -10,9 +10,12 @@ def ds(): id = np.arange(3) ds["id"] = xr.DataArray(id, coords={"id": id}) ds["CT"] = ds["id"] * 10 - ds["CT"].attrs = {"standard_name": "sea_water_conservative_temperature"} + ds["CT"].attrs = { + "standard_name": "sea_water_conservative_temperature", + "units": "degC", + } ds["SA"] = ds["id"] * 0.1 + 34 - ds["SA"].attrs = {"standard_name": "sea_water_absolute_salinity"} + ds["SA"].attrs = {"standard_name": "sea_water_absolute_salinity", "units": "g/kg"} return ds @@ -20,3 +23,10 @@ def ds(): def ureg(): pint = pytest.importorskip("pint") return pint.UnitRegistry() + + +@pytest.fixture +def ds_pint(ds, ureg): + pytest.importorskip("pint_xarray") + + return ds.pint.quantify() diff --git a/gsw_xarray/tests/test_units.py b/gsw_xarray/tests/test_units.py index 5ee585e..2aed341 100644 --- a/gsw_xarray/tests/test_units.py +++ b/gsw_xarray/tests/test_units.py @@ -3,6 +3,8 @@ """ import pytest +import gsw_xarray + from .test_imports import gsw_base from gsw_xarray._attributes import _func_attrs @@ -41,3 +43,84 @@ def test_unit_cf_units(func_name): for a in attrs: print(a["units"]) cf_units.Unit(a["units"]) + + +def test_xarray_quantity(ds_pint): + pint_xarray = pytest.importorskip("pint_xarray") + sigma0 = gsw_xarray.sigma0(SA=ds_pint.SA, CT=ds_pint.CT) + assert sigma0.pint.units == pint_xarray.unit_registry("kg / m^3") + + +@pytest.mark.parametrize("SA_type", ["unit", "ds"]) +@pytest.mark.parametrize("CT_type", ["unit", "ds"]) +def test_xarray_quantity_or_ds(ds, ds_pint, SA_type, CT_type): + """If at least 1 of the inputs is quantity, the result should be quantity""" + pint_xarray = pytest.importorskip("pint_xarray") + if SA_type == "unit": + SA = ds_pint.SA + elif SA_type == "ds": + SA = ds.SA + + if CT_type == "unit": + CT = ds_pint.CT + elif CT_type == "ds": + CT = ds.CT + + sigma0 = gsw_xarray.sigma0(SA=SA, CT=CT) + if SA_type == "unit" or CT_type == "unit": + assert sigma0.pint.units == pint_xarray.unit_registry("kg / m^3") + else: + assert sigma0.pint.units is None + assert sigma0.pint.quantify().pint.units == pint_xarray.unit_registry( + "kg / m^3" + ) + + +def test_func_return_tuple_quantity(ds_pint): + pint_xarray = pytest.importorskip("pint_xarray") + (CT_SA, CT_pt) = gsw_xarray.CT_first_derivatives(ds_pint.SA, 1) + assert CT_SA.pint.units == pint_xarray.unit_registry("K/(g/kg)") + + +def test_pint_quantity_xarray(ds): + """If input is mixed between xr.DataArray and pint quantity it should return pint-xarray wrapped quantity""" + pint_xarray = pytest.importorskip("pint_xarray") + + ureg = pint_xarray.unit_registry + Q_ = ureg.Quantity + sigma0 = gsw_xarray.sigma0(SA=ds.SA, CT=Q_(25.4, ureg.degC)) + assert sigma0.pint.units == pint_xarray.unit_registry("kg / m^3") + + +def test_pint_quantity(): + """If input is pint quantity should return a quantity""" + pint_xarray = pytest.importorskip("pint_xarray") + import pint + + ureg = pint_xarray.unit_registry + CT = gsw_xarray.CT_from_pt(SA=35 * ureg("g / kg"), pt=10) + assert isinstance(CT, pint.Quantity) + + +def test_pint_quantity_tuple(): + """If input is pint quantity should return a quantity""" + pint_xarray = pytest.importorskip("pint_xarray") + import pint + + ureg = pint_xarray.unit_registry + (a, b) = gsw_xarray.CT_first_derivatives(35 * ureg("g / kg"), pt=1) + assert isinstance(a, pint.Quantity) + assert isinstance(b, pint.Quantity) + + +def test_mixed_unit_regestiries(): + """If input quantities are from different registries, it should fail""" + pint_xarray = pytest.importorskip("pint_xarray") + import pint + + ureg_a = pint.UnitRegistry() + ureg_b = pint.UnitRegistry() + with pytest.raises(ValueError): + gsw_xarray.CT_first_derivatives( + 35 * ureg_a("g / kg"), pt=ureg_b.Quantity(1, ureg_b.degC) + ) diff --git a/poetry.lock b/poetry.lock index c1b64a8..baefc3e 100644 --- a/poetry.lock +++ b/poetry.lock @@ -30,22 +30,22 @@ tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (> [[package]] name = "babel" -version = "2.9.1" +version = "2.10.1" description = "Internationalization utilities" category = "main" optional = true -python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" +python-versions = ">=3.6" [package.dependencies] pytz = ">=2015.7" [[package]] name = "beautifulsoup4" -version = "4.10.0" +version = "4.11.1" description = "Screen-scraping library" category = "main" optional = true -python-versions = ">3.0.0" +python-versions = ">=3.6.0" [package.dependencies] soupsieve = ">1.2" @@ -54,6 +54,28 @@ soupsieve = ">1.2" html5lib = ["html5lib"] lxml = ["lxml"] +[[package]] +name = "black" +version = "22.3.0" +description = "The uncompromising code formatter." +category = "dev" +optional = false +python-versions = ">=3.6.2" + +[package.dependencies] +click = ">=8.0.0" +mypy-extensions = ">=0.4.3" +pathspec = ">=0.9.0" +platformdirs = ">=2" +tomli = {version = ">=1.1.0", markers = "python_version < \"3.11\""} +typing-extensions = {version = ">=3.10.0.0", markers = "python_version < \"3.10\""} + +[package.extras] +colorama = ["colorama (>=0.4.3)"] +d = ["aiohttp (>=3.7.4)"] +jupyter = ["ipython (>=7.8.0)", "tokenize-rt (>=3.2.0)"] +uvloop = ["uvloop (>=0.15.2)"] + [[package]] name = "certifi" version = "2021.10.8" @@ -81,6 +103,17 @@ python-versions = ">=3.5.0" [package.extras] unicode_backport = ["unicodedata2"] +[[package]] +name = "click" +version = "8.1.3" +description = "Composable command line interface toolkit" +category = "dev" +optional = false +python-versions = ">=3.7" + +[package.dependencies] +colorama = {version = "*", markers = "platform_system == \"Windows\""} + [[package]] name = "colorama" version = "0.4.4" @@ -119,7 +152,7 @@ testing = ["covdefaults (>=1.2.0)", "coverage (>=4)", "pytest (>=4)", "pytest-co [[package]] name = "furo" -version = "2022.2.14.1" +version = "2022.4.7" description = "A clean customisable Sphinx documentation theme." category = "main" optional = true @@ -130,10 +163,6 @@ beautifulsoup4 = "*" pygments = ">=2.7,<3.0" sphinx = ">=4.0,<5.0" -[package.extras] -test = ["pytest", "pytest-cov", "pytest-xdist"] -doc = ["myst-parser", "sphinx-copybutton", "sphinx-design", "sphinx-inline-tabs"] - [[package]] name = "gsw" version = "3.4.0" @@ -147,7 +176,7 @@ numpy = "*" [[package]] name = "identify" -version = "2.4.12" +version = "2.5.0" description = "File identification library for Python" category = "dev" optional = false @@ -174,7 +203,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" [[package]] name = "importlib-metadata" -version = "4.11.1" +version = "4.11.3" description = "Read metadata from Python packages" category = "main" optional = true @@ -184,7 +213,7 @@ python-versions = ">=3.7" zipp = ">=0.5" [package.extras] -docs = ["sphinx", "jaraco.packaging (>=8.2)", "rst.linker (>=1.9)"] +docs = ["sphinx", "jaraco.packaging (>=9)", "rst.linker (>=1.9)"] perf = ["ipython"] testing = ["pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-flake8", "pytest-cov", "pytest-enabler (>=1.0.1)", "packaging", "pyfakefs", "flufl.flake8", "pytest-perf (>=0.9.2)", "pytest-black (>=0.3.7)", "pytest-mypy (>=0.9.1)", "importlib-resources (>=1.3)"] @@ -198,11 +227,11 @@ python-versions = "*" [[package]] name = "jinja2" -version = "3.0.3" +version = "3.1.2" description = "A very fast and expressive template engine." category = "main" optional = true -python-versions = ">=3.6" +python-versions = ">=3.7" [package.dependencies] MarkupSafe = ">=2.0" @@ -212,11 +241,19 @@ i18n = ["Babel (>=2.7)"] [[package]] name = "markupsafe" -version = "2.0.1" +version = "2.1.1" description = "Safely add untrusted strings to HTML/XML markup." category = "main" optional = true -python-versions = ">=3.6" +python-versions = ">=3.7" + +[[package]] +name = "mypy-extensions" +version = "0.4.3" +description = "Experimental type system extensions for programs checked with the mypy typechecker." +category = "dev" +optional = false +python-versions = "*" [[package]] name = "nodeenv" @@ -228,7 +265,7 @@ python-versions = "*" [[package]] name = "numpy" -version = "1.22.2" +version = "1.22.3" description = "NumPy is the fundamental package for array computing with Python." category = "main" optional = false @@ -247,7 +284,7 @@ pyparsing = ">=2.0.2,<3.0.5 || >3.0.5" [[package]] name = "pandas" -version = "1.4.1" +version = "1.4.2" description = "Powerful data structures for data analysis, time series, and statistics" category = "main" optional = false @@ -267,32 +304,50 @@ pytz = ">=2020.1" test = ["hypothesis (>=5.5.3)", "pytest (>=6.0)", "pytest-xdist (>=1.31)"] [[package]] -name = "pint" -version = "0.18" -description = "Physical quantities module" +name = "pathspec" +version = "0.9.0" +description = "Utility library for gitignore style pattern matching of file paths." category = "dev" optional = false -python-versions = ">=3.7" +python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7" -[package.dependencies] -packaging = "*" +[[package]] +name = "pint" +version = "0.19.2" +description = "Physical quantities module" +category = "main" +optional = true +python-versions = ">=3.8" [package.extras] -numpy = ["numpy (>=1.17)"] +numpy = ["numpy (>=1.19.5)"] test = ["pytest", "pytest-mpl", "pytest-cov", "pytest-subtests"] -uncertainties = ["uncertainties (>=3.0)"] +uncertainties = ["uncertainties (>=3.1.6)"] + +[[package]] +name = "pint-xarray" +version = "0.2.1" +description = "Physical units interface to xarray using Pint" +category = "main" +optional = true +python-versions = ">=3.7" + +[package.dependencies] +numpy = ">=1.17" +pint = ">=0.16" +xarray = ">=0.16.1" [[package]] name = "platformdirs" -version = "2.5.1" +version = "2.5.2" description = "A small Python module for determining appropriate platform-specific dirs, e.g. a \"user data dir\"." category = "dev" optional = false python-versions = ">=3.7" [package.extras] -docs = ["Sphinx (>=4)", "furo (>=2021.7.5b38)", "proselint (>=0.10.2)", "sphinx-autodoc-typehints (>=1.12)"] -test = ["appdirs (==1.4.4)", "pytest (>=6)", "pytest-cov (>=2.7)", "pytest-mock (>=3.6)"] +docs = ["furo (>=2021.7.5b38)", "proselint (>=0.10.2)", "sphinx-autodoc-typehints (>=1.12)", "sphinx (>=4)"] +test = ["appdirs (==1.4.4)", "pytest-cov (>=2.7)", "pytest-mock (>=3.6)", "pytest (>=6)"] [[package]] name = "pluggy" @@ -308,11 +363,11 @@ testing = ["pytest", "pytest-benchmark"] [[package]] name = "pre-commit" -version = "2.17.0" +version = "2.19.0" description = "A framework for managing and maintaining multi-language pre-commit hooks." category = "dev" optional = false -python-versions = ">=3.6.1" +python-versions = ">=3.7" [package.dependencies] cfgv = ">=2.0.0" @@ -332,30 +387,30 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" [[package]] name = "pygments" -version = "2.11.2" +version = "2.12.0" description = "Pygments is a syntax highlighting package written in Python." category = "main" optional = true -python-versions = ">=3.5" +python-versions = ">=3.6" [[package]] name = "pyparsing" -version = "3.0.7" -description = "Python parsing module" +version = "3.0.8" +description = "pyparsing module - Classes and methods to define and execute parsing grammars" category = "main" optional = false -python-versions = ">=3.6" +python-versions = ">=3.6.8" [package.extras] -diagrams = ["jinja2", "railroad-diagrams"] +diagrams = ["railroad-diagrams", "jinja2"] [[package]] name = "pytest" -version = "7.0.1" +version = "7.1.2" description = "pytest: simple powerful testing with Python" category = "dev" optional = false -python-versions = ">=3.6" +python-versions = ">=3.7" [package.dependencies] atomicwrites = {version = ">=1.0", markers = "sys_platform == \"win32\""} @@ -383,7 +438,7 @@ six = ">=1.5" [[package]] name = "pytz" -version = "2021.3" +version = "2022.1" description = "World timezone definitions, modern and historical" category = "main" optional = false @@ -433,7 +488,7 @@ python-versions = "*" [[package]] name = "soupsieve" -version = "2.3.1" +version = "2.3.2.post1" description = "A modern CSS selector implementation for Beautiful Soup." category = "main" optional = true @@ -441,7 +496,7 @@ python-versions = ">=3.6" [[package]] name = "sphinx" -version = "4.4.0" +version = "4.5.0" description = "Python documentation generator" category = "main" optional = true @@ -558,6 +613,14 @@ category = "dev" optional = false python-versions = ">=3.7" +[[package]] +name = "typing-extensions" +version = "4.2.0" +description = "Backported and Experimental Type Hints for Python 3.7+" +category = "dev" +optional = false +python-versions = ">=3.7" + [[package]] name = "urllib3" version = "1.22" @@ -572,7 +635,7 @@ socks = ["PySocks (>=1.5.6,!=1.5.7,<2.0)"] [[package]] name = "virtualenv" -version = "20.13.3" +version = "20.14.1" description = "Virtual Python Environment 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