diff --git a/.github/dependabot.yml b/.github/dependabot.yml new file mode 100644 index 00000000..2e17b3fc --- /dev/null +++ b/.github/dependabot.yml @@ -0,0 +1,13 @@ +version: 2 +updates: + - package-ecosystem: "pip" + directory: "/" + schedule: + interval: "weekly" + allow: + - dependency-type: "all" + versioning-strategy: "lockfile-only" + groups: + dependencies: + patterns: + - "*" \ No newline at end of file diff --git a/poetry.lock b/poetry.lock index 6561d021..b10609a1 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,10 +1,9 @@ -# This file is automatically @generated by Poetry and should not be changed by hand. +# This file is automatically @generated by Poetry 1.6.1 and should not be changed by hand. [[package]] name = "alabaster" version = "0.7.13" description = "A configurable sidebar-enabled Sphinx theme" -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -16,7 +15,6 @@ files = [ name = "anyio" version = "4.0.0" description = "High level compatibility layer for multiple asynchronous event loop implementations" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -38,7 +36,6 @@ trio = ["trio (>=0.22)"] name = "appnope" version = "0.1.3" description = "Disable App Nap on macOS >= 10.9" -category = "main" optional = false python-versions = "*" files = [ @@ -50,7 +47,6 @@ files = [ name = "argon2-cffi" version = "23.1.0" description = "Argon2 for Python" -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -71,7 +67,6 @@ typing = ["mypy"] name = "argon2-cffi-bindings" version = "21.2.0" description = "Low-level CFFI bindings for Argon2" -category = "main" optional = true python-versions = ">=3.6" files = [ @@ -109,7 +104,6 @@ tests = ["pytest"] name = "arrow" version = "1.3.0" description = "Better dates & times for Python" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -123,13 +117,12 @@ types-python-dateutil = ">=2.8.10" [package.extras] doc = ["doc8", "sphinx (>=7.0.0)", "sphinx-autobuild", "sphinx-autodoc-typehints", "sphinx_rtd_theme (>=1.3.0)"] -test = ["dateparser (>=1.0.0,<2.0.0)", "pre-commit", "pytest", "pytest-cov", "pytest-mock", "pytz (==2021.1)", "simplejson (>=3.0.0,<4.0.0)"] +test = ["dateparser (==1.*)", "pre-commit", "pytest", "pytest-cov", "pytest-mock", "pytz (==2021.1)", "simplejson (==3.*)"] [[package]] name = "asciitree" version = "0.3.3" description = "Draws ASCII trees." -category = "main" optional = false python-versions = "*" files = [ @@ -140,7 +133,6 @@ files = [ name = "ase" version = "3.22.1" description = "Atomic Simulation Environment" -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -161,7 +153,6 @@ test = ["pytest (>=5.0.0)", "pytest-mock (>=3.3.0)", "pytest-xdist (>=1.30.0)"] name = "asteval" version = "0.9.31" description = "Safe, minimalistic evaluator of python expression using ast module" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -179,7 +170,6 @@ test = ["coverage", "pytest", "pytest-cov"] name = "astropy" version = "5.2.2" description = "Astronomy and astrophysics core library" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -233,7 +223,6 @@ test-all = ["coverage[toml]", "ipython (>=4.2)", "objgraph", "pytest (>=7.0)", " name = "asttokens" version = "2.4.0" description = "Annotate AST trees with source code positions" -category = "main" optional = false python-versions = "*" files = [ @@ -251,7 +240,6 @@ test = ["astroid", "pytest"] name = "async-lru" version = "2.0.4" description = "Simple LRU cache for asyncio" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -266,7 +254,6 @@ typing-extensions = {version = ">=4.0.0", markers = "python_version < \"3.11\""} name = "attrs" version = "23.1.0" description = "Classes Without Boilerplate" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -285,7 +272,6 @@ tests-no-zope = ["cloudpickle", "hypothesis", "mypy (>=1.1.1)", "pympler", "pyte name = "babel" version = "2.13.0" description = "Internationalization utilities" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -303,7 +289,6 @@ dev = ["freezegun (>=1.0,<2.0)", "pytest (>=6.0)", "pytest-cov"] name = "backcall" version = "0.2.0" description = "Specifications for callback functions passed in to an API" -category = "main" optional = false python-versions = "*" files = [ @@ -315,7 +300,6 @@ files = [ name = "backports-zoneinfo" version = "0.2.1" description = "Backport of the standard library zoneinfo module" -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -344,7 +328,6 @@ tzdata = ["tzdata"] name = "beautifulsoup4" version = "4.12.2" description = "Screen-scraping library" -category = "main" optional = true python-versions = ">=3.6.0" files = [ @@ -363,7 +346,6 @@ lxml = ["lxml"] name = "bleach" version = "6.0.0" description = "An easy safelist-based HTML-sanitizing tool." -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -382,7 +364,6 @@ css = ["tinycss2 (>=1.1.0,<1.2)"] name = "bokeh" version = "2.4.3" description = "Interactive plots and applications in the browser from Python" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -403,7 +384,6 @@ typing-extensions = ">=3.10.0" name = "cattrs" version = "23.1.2" description = "Composable complex class support for attrs and dataclasses." -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -429,7 +409,6 @@ ujson = ["ujson (>=5.4.0,<6.0.0)"] name = "certifi" version = "2023.7.22" description = "Python package for providing Mozilla's CA Bundle." -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -441,7 +420,6 @@ files = [ name = "cffi" version = "1.16.0" description = "Foreign Function Interface for Python calling C code." -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -506,7 +484,6 @@ pycparser = "*" name = "charset-normalizer" version = "3.3.0" description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet." -category = "main" optional = false python-versions = ">=3.7.0" files = [ @@ -606,7 +583,6 @@ files = [ name = "click" version = "8.1.7" description = "Composable command line interface toolkit" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -621,7 +597,6 @@ colorama = {version = "*", markers = "platform_system == \"Windows\""} name = "cloudpickle" version = "2.2.1" description = "Extended pickling support for Python objects" -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -633,7 +608,6 @@ files = [ name = "colorama" version = "0.4.6" description = "Cross-platform colored terminal text." -category = "main" optional = false python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7" files = [ @@ -645,7 +619,6 @@ files = [ name = "comm" version = "0.1.4" description = "Jupyter Python Comm implementation, for usage in ipykernel, xeus-python etc." -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -665,7 +638,6 @@ typing = ["mypy (>=0.990)"] name = "commonmark" version = "0.9.1" description = "Python parser for the CommonMark Markdown spec" -category = "main" optional = false python-versions = "*" files = [ @@ -680,7 +652,6 @@ test = ["flake8 (==3.7.8)", "hypothesis (==3.55.3)"] name = "contourpy" version = "1.1.1" description = "Python library for calculating contours of 2D quadrilateral grids" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -752,7 +723,6 @@ test-no-images = ["pytest", "pytest-cov", "wurlitzer"] name = "coverage" version = "7.3.2" description = "Code coverage measurement for Python" -category = "dev" optional = false python-versions = ">=3.8" files = [ @@ -820,7 +790,6 @@ toml = ["tomli"] name = "cramjam" version = "2.7.0" description = "Thin Python bindings to de/compression algorithms in Rust" -category = "main" optional = false python-versions = ">=3.7" 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Scheduling" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -938,7 +915,6 @@ test = ["pandas[test]", "pre-commit", "pytest", "pytest-rerunfailures", "pytest- name = "debugpy" version = "1.8.0" description = "An implementation of the Debug Adapter Protocol for Python" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -966,7 +942,6 @@ files = [ name = "decorator" version = "5.1.1" description = "Decorators for Humans" -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -978,7 +953,6 @@ files = [ name = "defusedxml" version = "0.7.1" description = "XML bomb protection for Python stdlib modules" -category = "main" optional = true python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" files = [ @@ -990,7 +964,6 @@ files = [ name = "diffpy-structure" version = "3.1.0" description = "Crystal structure container and parsers for structure formats." -category = "main" optional = false python-versions = "*" files = [ @@ -1005,7 +978,6 @@ six = "*" name = "diffsims" version = "0.5.2" description = "Diffraction Simulations in Python" -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -1033,7 +1005,6 @@ tests = ["coverage (>=5.0)", "pytest (>=5.4)", "pytest-cov (>=2.8.1)", "pytest-x name = "dill" version = "0.3.7" description = "serialize all of Python" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -1048,7 +1019,6 @@ graph = ["objgraph (>=1.7.2)"] name = "docutils" version = "0.18.1" description = "Docutils -- Python Documentation Utilities" -category = "main" optional = false python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" files = [ @@ -1060,7 +1030,6 @@ files = [ name = "entrypoints" version = "0.4" description = "Discover and load entry points from installed packages." -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -1072,7 +1041,6 @@ files = [ name = "exceptiongroup" version = "1.1.3" description = "Backport of PEP 654 (exception groups)" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -1087,7 +1055,6 @@ test = ["pytest (>=6)"] name = "execnet" version = "2.0.2" description = "execnet: rapid multi-Python deployment" -category = "dev" optional = false python-versions = ">=3.7" files = [ @@ -1102,7 +1069,6 @@ testing = ["hatch", "pre-commit", "pytest", "tox"] name = "executing" version = "2.0.0" description = "Get the currently executing AST node of a frame, and other information" -category = "main" optional = false python-versions = "*" files = [ @@ -1117,7 +1083,6 @@ tests = ["asttokens (>=2.1.0)", "coverage", "coverage-enable-subprocess", "ipyth name = "fabio" version = "2023.6.0" description = "FabIO is an I/O library for images produced by 2D X-ray detectors and written in Python" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -1158,7 +1123,6 @@ numpy = "*" name = "fastdtw" version = "0.3.4" description = "Dynamic Time Warping (DTW) algorithm with an O(N) time and memory complexity." -category = "main" optional = false python-versions = "*" files = [ @@ -1173,7 +1137,6 @@ numpy = "*" name = "fasteners" version = "0.19" description = "A python package that provides useful locks" -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -1185,7 +1148,6 @@ files = [ name = "fastjsonschema" version = "2.18.1" description = "Fastest Python implementation of JSON schema" -category = "main" optional = true python-versions = "*" files = [ @@ -1200,7 +1162,6 @@ devel = ["colorama", "json-spec", "jsonschema", "pylint", "pytest", "pytest-benc name = "fastparquet" version = "0.8.3" description = "Python support for Parquet file format" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1246,7 +1207,6 @@ lzo = ["python-lzo"] name = "flatdict" version = "4.0.1" description = "Python module for interacting with nested dicts as a single level dict with delimited keys." -category = "main" optional = false python-versions = "*" files = [ @@ -1257,7 +1217,6 @@ files = [ name = "fonttools" version = "4.43.0" description = "Tools to manipulate font files" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1323,7 +1282,6 @@ woff = ["brotli (>=1.0.1)", "brotlicffi (>=0.8.0)", "zopfli (>=0.1.4)"] name = "fqdn" version = "1.5.1" description = "Validates fully-qualified domain names against RFC 1123, so that they are acceptable to modern bowsers" -category = "main" optional = true python-versions = ">=2.7, !=3.0, !=3.1, !=3.2, !=3.3, !=3.4, <4" files = [ @@ -1335,7 +1293,6 @@ files = [ name = "fsspec" version = "2023.9.2" description = "File-system specification" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1371,7 +1328,6 @@ tqdm = ["tqdm"] name = "furo" version = "2023.9.10" description = "A clean customisable Sphinx documentation theme." -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -1389,7 +1345,6 @@ sphinx-basic-ng = "*" name = "future" version = "0.18.3" description = "Clean single-source support for Python 3 and 2" -category = "main" optional = false python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*" files = [ @@ -1400,7 +1355,6 @@ files = [ name = "gitdb" version = "4.0.10" description = "Git Object Database" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -1415,7 +1369,6 @@ smmap = ">=3.0.1,<6" name = "gitpython" version = "3.1.37" description = "GitPython is a Python library used to interact with Git repositories" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -1433,7 +1386,6 @@ test = ["black", "coverage[toml]", "ddt (>=1.1.1,!=1.4.3)", "mypy", "pre-commit" name = "h5py" version = "3.9.0" description = "Read and write HDF5 files from Python" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1467,7 +1419,6 @@ numpy = ">=1.17.3" name = "hyperspy" version = "1.7.5" description = "Multidimensional data analysis toolbox" -category = "main" optional = false python-versions = "~=3.6" files = [ @@ -1538,7 +1489,6 @@ usid = ["pyUSID (>=0.0.7)", "sidpy"] name = "idna" version = "3.4" description = "Internationalized Domain Names in Applications (IDNA)" -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -1550,7 +1500,6 @@ files = [ name = "ifes-apt-tc-data-modeling" version = "0.0.9" description = "Foster exchange about data models and work towards clear specifications of file formats and data models in the research field of atom probe microscopy." -category = "main" optional = false python-versions = "<3.11,>=3.8" files = [ @@ -1572,7 +1521,6 @@ dev = ["jupyterlab (>=3.5.2,<3.6.0)", "jupyterlab-h5web (>=6.6.1)", "twine (>=4. name = "imageio" version = "2.27.0" description = "Library for reading and writing a wide range of image, video, scientific, and volumetric data formats." -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -1604,7 +1552,6 @@ tifffile = ["tifffile"] name = "imagesize" version = "1.4.1" description = "Getting image size from png/jpeg/jpeg2000/gif file" -category = "main" optional = false python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" files = [ @@ -1616,7 +1563,6 @@ files = [ name = "importlib-metadata" version = "6.8.0" description = "Read metadata from Python packages" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1636,7 +1582,6 @@ testing = ["flufl.flake8", "importlib-resources (>=1.3)", "packaging", "pyfakefs name = "importlib-resources" version = "6.1.0" description = "Read resources from Python packages" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1655,7 +1600,6 @@ testing = ["pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", name = "iniconfig" version = "2.0.0" description = "brain-dead simple config-ini parsing" -category = "dev" optional = false python-versions = ">=3.7" files = [ @@ -1667,7 +1611,6 @@ files = [ name = "ipykernel" version = "6.25.2" description = "IPython Kernel for Jupyter" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -1681,7 +1624,7 @@ comm = ">=0.1.1" debugpy = ">=1.6.5" ipython = ">=7.23.1" jupyter-client = ">=6.1.12" -jupyter-core = ">=4.12,<5.0.0 || >=5.1.0" +jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0" matplotlib-inline = ">=0.1" nest-asyncio = "*" packaging = "*" @@ -1701,7 +1644,6 @@ test = ["flaky", "ipyparallel", "pre-commit", "pytest (>=7.0)", "pytest-asyncio" name = "ipympl" version = "0.9.3" description = "Matplotlib Jupyter Extension" -category = "main" optional = false python-versions = "*" files = [ @@ -1725,7 +1667,6 @@ docs = ["Sphinx (>=1.5)", "myst-nb", "sphinx-book-theme", "sphinx-copybutton", " name = "ipyparallel" version = "8.6.1" description = "Interactive Parallel Computing with IPython" -category = "main" optional = false 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"pytest-qt"] name = "radioactivedecay" version = "0.4.21" description = "A Python package for radioactive decay modelling that supports 1252 radionuclides, decay chains, branching, and metastable states." -category = "main" optional = false python-versions = ">=3.6" files = [ @@ -4490,7 +4314,6 @@ sympy = "*" name = "recommonmark" version = "0.7.1" description = "A docutils-compatibility bridge to CommonMark, enabling you to write CommonMark inside of Docutils & Sphinx projects." -category = "main" optional = false python-versions = "*" files = [ @@ -4507,7 +4330,6 @@ sphinx = ">=1.3.1" name = "referencing" version = "0.30.2" description = "JSON Referencing + Python" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -4523,7 +4345,6 @@ rpds-py = ">=0.7.0" name = "requests" version = "2.31.0" description = "Python HTTP for Humans." -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -4545,7 +4366,6 @@ use-chardet-on-py3 = ["chardet (>=3.0.2,<6)"] name = "requests-cache" version = "1.1.0" description = "A persistent cache for python requests" -category = "main" optional = false python-versions = ">=3.7,<4.0" files = [ @@ -4576,7 +4396,6 @@ yaml = ["pyyaml (>=5.4)"] name = "rfc3339-validator" version = "0.1.4" description = "A pure python RFC3339 validator" -category = "main" optional = true python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" files = [ @@ -4591,7 +4410,6 @@ six = "*" name = "rfc3986-validator" version = "0.1.1" description = "Pure python rfc3986 validator" -category = "main" optional = true python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*" files = [ @@ -4603,7 +4421,6 @@ files = [ name = "rich" version = "13.6.0" description = "Render rich text, tables, progress bars, syntax highlighting, markdown and more to the terminal" -category = "dev" optional = false python-versions = ">=3.7.0" files = [ @@ -4623,7 +4440,6 @@ jupyter = ["ipywidgets (>=7.5.1,<9)"] name = "rpds-py" version = "0.10.4" description = "Python bindings to Rust's persistent data structures (rpds)" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -4732,7 +4548,6 @@ files = [ name = "scikit-image" version = "0.21.0" description = "Image processing in Python" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -4783,7 +4598,6 @@ test = ["asv", "matplotlib (>=3.5)", "pooch (>=1.6.0)", "pytest (>=7.0)", "pytes name = "scikit-learn" version = "1.3.1" description = "A set of python modules for machine learning and data mining" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -4831,7 +4645,6 @@ tests = ["black (>=23.3.0)", "matplotlib (>=3.1.3)", "mypy (>=1.3)", "numpydoc ( name = "scipy" version = "1.10.1" description = "Fundamental algorithms for scientific computing in Python" -category = "main" optional = false python-versions = "<3.12,>=3.8" files = [ @@ -4870,7 +4683,6 @@ test = ["asv", "gmpy2", "mpmath", "pooch", "pytest", "pytest-cov", "pytest-timeo name = "send2trash" version = "1.8.2" description = "Send file to trash natively under Mac OS X, Windows and Linux" -category = "main" optional = true python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7" files = [ @@ -4887,7 +4699,6 @@ win32 = ["pywin32"] name = "setuptools" version = "68.2.2" description = "Easily download, build, install, upgrade, and uninstall Python packages" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -4904,7 +4715,6 @@ testing-integration = ["build[virtualenv] (>=1.0.3)", "filelock (>=3.4.0)", "jar name = "setuptools-scm" version = "8.0.4" description = "the blessed package to manage your versions by scm tags" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -4927,7 +4737,6 @@ test = ["build", "pytest", "rich", "wheel"] name = "silx" version = "1.1.2" description = "Software library for X-ray data analysis" -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -4974,7 +4783,6 @@ test = ["pytest", "pytest-mock", "pytest-xvfb"] name = "six" version = "1.16.0" description = "Python 2 and 3 compatibility utilities" -category = "main" optional = false python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*" files = [ @@ -4986,7 +4794,6 @@ files = [ name = "smmap" version = "5.0.1" description = "A pure Python implementation of a sliding window memory map manager" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -4998,7 +4805,6 @@ files = [ name = "sniffio" version = "1.3.0" description = "Sniff out which async library your code is running under" -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5010,7 +4816,6 @@ files = [ name = "snowballstemmer" version = "2.2.0" description = "This package provides 29 stemmers for 28 languages generated from Snowball algorithms." -category = "main" optional = false python-versions = "*" files = [ @@ -5022,7 +4827,6 @@ files = [ name = "soupsieve" version = "2.5" description = "A modern CSS selector implementation for Beautiful Soup." -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -5034,7 +4838,6 @@ files = [ name = "sparse" version = "0.14.0" description = "Sparse n-dimensional arrays" -category = "main" optional = false python-versions = ">=3.8, <4" files = [ @@ -5057,7 +4860,6 @@ tox = ["dask[array]", "pytest (>=3.5)", "pytest-black", "pytest-cov", "tox"] name = "sphinx" version = "7.1.2" description = "Python documentation generator" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5094,7 +4896,6 @@ test = ["cython", "filelock", "html5lib", "pytest (>=4.6)"] name = "sphinx-autodoc-typehints" version = "1.24.0" description = "Type hints (PEP 484) support for the Sphinx autodoc extension" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -5115,7 +4916,6 @@ testing = ["covdefaults (>=2.3)", "coverage (>=7.2.7)", "diff-cover (>=7.5)", "p name = "sphinx-basic-ng" version = "1.0.0b2" description = "A modern skeleton for Sphinx themes." -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5133,7 +4933,6 @@ docs = ["furo", "ipython", "myst-parser", "sphinx-copybutton", "sphinx-inline-ta name = "sphinx-rtd-theme" version = "1.3.0" description = "Read the Docs theme for Sphinx" -category = "main" optional = false python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,>=2.7" files = [ @@ -5153,7 +4952,6 @@ dev = ["bump2version", "sphinxcontrib-httpdomain", "transifex-client", "wheel"] name = "sphinxcontrib-applehelp" version = "1.0.4" description = "sphinxcontrib-applehelp is a Sphinx extension which outputs Apple help books" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5169,7 +4967,6 @@ test = ["pytest"] name = "sphinxcontrib-devhelp" version = "1.0.2" description = "sphinxcontrib-devhelp is a sphinx extension which outputs Devhelp document." -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -5185,7 +4982,6 @@ test = ["pytest"] name = "sphinxcontrib-htmlhelp" version = "2.0.1" description = "sphinxcontrib-htmlhelp is a sphinx extension which renders HTML help files" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5201,7 +4997,6 @@ test = ["html5lib", "pytest"] name = "sphinxcontrib-jquery" version = "4.1" description = "Extension to include jQuery on newer Sphinx releases" -category = "main" optional = false python-versions = ">=2.7" files = [ @@ -5216,7 +5011,6 @@ Sphinx = ">=1.8" name = "sphinxcontrib-jsmath" version = "1.0.1" description = "A sphinx extension which renders display math in HTML via JavaScript" -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -5231,7 +5025,6 @@ test = ["flake8", "mypy", "pytest"] name = "sphinxcontrib-qthelp" version = "1.0.3" description = "sphinxcontrib-qthelp is a sphinx extension which outputs QtHelp document." -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -5247,7 +5040,6 @@ test = ["pytest"] name = "sphinxcontrib-serializinghtml" version = "1.1.5" description = "sphinxcontrib-serializinghtml is a sphinx extension which outputs \"serialized\" HTML files (json and pickle)." -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -5263,7 +5055,6 @@ test = ["pytest"] name = "sphinxcontrib-websupport" version = "1.2.4" description = "Sphinx API for Web Apps" -category = "main" optional = true python-versions = ">=3.5" files = [ @@ -5282,7 +5073,6 @@ test = ["Sphinx", "pytest", "sqlalchemy", "whoosh"] name = "stack-data" version = "0.6.3" description = "Extract data from python stack frames and tracebacks for informative displays" -category = "main" optional = false python-versions = "*" files = [ @@ -5302,7 +5092,6 @@ tests = ["cython", "littleutils", "pygments", "pytest", "typeguard"] name = "symmetrize" version = "0.5.5" description = "Symmetrization and centering of 2D pattern using nonrigid point set registration" -category = "main" optional = false python-versions = "*" files = [ @@ -5326,7 +5115,6 @@ sphinx-rtd-theme = "*" name = "sympy" version = "1.12" description = "Computer algebra system (CAS) in Python" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5341,7 +5129,6 @@ mpmath = ">=0.19" name = "terminado" version = "0.17.1" description = "Tornado websocket backend for the Xterm.js Javascript terminal emulator library." -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5362,7 +5149,6 @@ test = ["pre-commit", "pytest (>=7.0)", "pytest-timeout"] name = "threadpoolctl" version = "3.2.0" description = "threadpoolctl" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5374,7 +5160,6 @@ files = [ name = "tifffile" version = "2022.10.10" description = "Read and write TIFF files" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5392,7 +5177,6 @@ all = ["fsspec", "imagecodecs (>=2022.2.22)", "lxml", "matplotlib (>=3.3)", "zar name = "tinycss2" version = "1.2.1" description = "A tiny CSS parser" -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5411,7 +5195,6 @@ test = ["flake8", "isort", "pytest"] name = "tomli" version = "2.0.1" description = "A lil' TOML parser" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -5423,7 +5206,6 @@ files = [ name = "tomlkit" version = "0.12.1" description = "Style preserving TOML library" -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5435,7 +5217,6 @@ files = [ name = "toolz" version = "0.12.0" description = "List processing tools and functional utilities" -category = "main" optional = false python-versions = ">=3.5" files = [ @@ -5447,7 +5228,6 @@ files = [ name = "tornado" version = "6.3.3" description = "Tornado is a Python web framework and asynchronous networking library, originally developed at FriendFeed." -category = "main" optional = false python-versions = ">= 3.8" files = [ @@ -5468,7 +5248,6 @@ files = [ name = "tqdm" version = "4.66.1" description = "Fast, Extensible Progress Meter" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -5489,7 +5268,6 @@ telegram = ["requests"] name = "traitlets" version = "5.11.2" description = "Traitlets Python configuration system" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5505,7 +5283,6 @@ test = ["argcomplete (>=3.0.3)", "mypy (>=1.5.1)", "pre-commit", "pytest (>=7.0, name = "traits" version = "6.4.2" description = "Observable typed attributes for Python classes" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -5570,10 +5347,10 @@ test = ["Cython", "PySide6", "Sphinx", "flake8", "flake8-ets", "mypy", "numpy", name = "transforms3d" version = "0.4.1" description = "Functions for 3D coordinate transformations" -category = "main" optional = false python-versions = ">=3.6" files = [ + {file = "transforms3d-0.4.1-py3-none-any.whl", hash = "sha256:aea08776c1c915c8b424418994202aced8e46301c375ce63423d14f1d0045aa7"}, {file = "transforms3d-0.4.1.tar.gz", hash = "sha256:31c755266a0b0a222488b8d039f6f325cf486c52728c03e307ce047b2fad1179"}, ] @@ -5581,7 +5358,6 @@ files = [ name = "types-python-dateutil" version = "2.8.19.14" description = "Typing stubs for python-dateutil" -category = "main" optional = true python-versions = "*" files = [ @@ -5593,7 +5369,6 @@ files = [ name = "typing-extensions" version = "4.8.0" description = "Backported and Experimental Type Hints for Python 3.8+" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5605,7 +5380,6 @@ files = [ name = "tzdata" version = "2023.3" description = "Provider of IANA time zone data" -category = "main" optional = false python-versions = ">=2" files = [ @@ -5617,7 +5391,6 @@ files = [ name = "tzlocal" version = "4.3" description = "tzinfo object for the local timezone" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -5637,7 +5410,6 @@ devenv = ["black", "check-manifest", "flake8", "pyroma", "pytest (>=4.3)", "pyte name = "uncertainties" version = "3.1.7" description = "Transparent calculations with uncertainties on the quantities involved (aka error propagation); fast calculation of derivatives" -category = "main" optional = false python-versions = "*" files = [ @@ -5658,7 +5430,6 @@ tests = ["nose", "numpy"] name = "uri-template" version = "1.3.0" description = "RFC 6570 URI Template Processor" -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5673,7 +5444,6 @@ dev = ["flake8", "flake8-annotations", "flake8-bandit", "flake8-bugbear", "flake name = "url-normalize" version = "1.4.3" description = "URL normalization for Python" -category = "main" optional = false python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*, !=3.5.*" files = [ @@ -5686,14 +5456,13 @@ six = "*" [[package]] name = "urllib3" -version = "2.0.6" +version = "2.0.7" description = "HTTP library with thread-safe connection pooling, file post, and more." -category = "main" optional = false python-versions = ">=3.7" files = [ - {file = "urllib3-2.0.6-py3-none-any.whl", hash = "sha256:7a7c7003b000adf9e7ca2a377c9688bbc54ed41b985789ed576570342a375cd2"}, - {file = "urllib3-2.0.6.tar.gz", hash = "sha256:b19e1a85d206b56d7df1d5e683df4a7725252a964e3993648dd0fb5a1c157564"}, + {file = "urllib3-2.0.7-py3-none-any.whl", hash = "sha256:fdb6d215c776278489906c2f8916e6e7d4f5a9b602ccbcfdf7f016fc8da0596e"}, + {file = "urllib3-2.0.7.tar.gz", hash = "sha256:c97dfde1f7bd43a71c8d2a58e369e9b2bf692d1334ea9f9cae55add7d0dd0f84"}, ] [package.extras] @@ -5706,7 +5475,6 @@ zstd = ["zstandard (>=0.18.0)"] name = "wcwidth" version = "0.2.8" description = "Measures the displayed width of unicode strings in a terminal" -category = "main" optional = false python-versions = "*" files = [ @@ -5718,7 +5486,6 @@ files = [ name = "webcolors" version = "1.13" description = "A library for working with the color formats defined by HTML and CSS." -category = "main" optional = true python-versions = ">=3.7" files = [ @@ -5734,7 +5501,6 @@ tests = ["pytest", "pytest-cov"] name = "webencodings" version = "0.5.1" description = "Character encoding aliases for legacy web content" -category = "main" optional = true python-versions = "*" files = [ @@ -5746,7 +5512,6 @@ files = [ name = "websocket-client" version = "1.6.3" description = "WebSocket client for Python with low level API options" -category = "main" optional = true python-versions = ">=3.8" files = [ @@ -5763,7 +5528,6 @@ test = ["websockets"] name = "widgetsnbextension" version = "4.0.9" description = "Jupyter interactive widgets for Jupyter Notebook" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -5775,7 +5539,6 @@ files = [ name = "xarray" version = "0.20.2" description = "N-D labeled arrays and datasets in Python" -category = "main" optional = false python-versions = ">=3.7" files = [ @@ -5799,7 +5562,6 @@ viz = ["matplotlib", "nc-time-axis", "seaborn"] name = "zarr" version = "2.16.1" description = "An implementation of chunked, compressed, N-dimensional arrays for Python" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5821,7 +5583,6 @@ jupyter = ["ipytree (>=0.2.2)", "ipywidgets (>=8.0.0)", "notebook"] name = "zipfile37" version = "0.1.3" description = "Read and write ZIP files - backport of the zipfile module from Python 3.7" -category = "main" optional = false python-versions = "*" files = [ @@ -5832,7 +5593,6 @@ files = [ name = "zipp" version = "3.17.0" description = "Backport of pathlib-compatible object wrapper for zip files" -category = "main" optional = false python-versions = ">=3.8" files = [ @@ -5845,10 +5605,10 @@ docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.link testing = ["big-O", "jaraco.functools", "jaraco.itertools", "more-itertools", "pytest (>=6)", "pytest-black (>=0.3.7)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-ignore-flaky", "pytest-mypy (>=0.9.1)", "pytest-ruff"] [extras] -docs = ["sphinx", "sphinx-rtd-theme", "tomlkit", "sphinx-autodoc-typehints"] -notebook = ["jupyter", "ipykernel"] +docs = ["sphinx", "sphinx-autodoc-typehints", "sphinx-rtd-theme", "tomlkit"] +notebook = ["ipykernel", "jupyter"] [metadata] lock-version = "2.0" python-versions = ">=3.8,<3.11" -content-hash = "0886d7c6beeb6d8052154aa45cff0bac51bf4dd7f182e70603758a256f5f819e" +content-hash = "0b7d42c3cd21ecb610f3dcc6b879656334652da52e13f4b464052c94d50b9d79" diff --git a/pyproject.toml b/pyproject.toml index 78581d11..e94540ab 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -17,7 +17,7 @@ lmfit = "^1.0.3" matplotlib = "^3.5.1" natsort = "^8.1.0" numba = "^0.55.1" -numpy = ">=1.18,<1.22" +numpy = ">=1.18,<1.23" opencv-python = "<=4.8.0.74" pandas = "^1.4.1" psutil = "^5.9.0" diff --git a/sed/calibrator/energy.py b/sed/calibrator/energy.py index a0058a6a..ab5fe36d 100644 --- a/sed/calibrator/energy.py +++ b/sed/calibrator/energy.py @@ -1826,7 +1826,7 @@ def peakdetect1d( if lookahead < 1: raise ValueError("Lookahead must be '1' or above in value") - if not (np.isscalar(delta) and delta >= 0): + if not (np.ndim(delta) == 0 and delta >= 0): raise ValueError("delta must be a positive number") # maxima and minima candidates are temporarily stored in diff --git a/sed/config/default.yaml b/sed/config/default.yaml index 85066a04..363d505a 100644 --- a/sed/config/default.yaml +++ b/sed/config/default.yaml @@ -31,6 +31,10 @@ dataframe: tof_binning: 1 # binning factor used for the adc coordinate (2^(adc_binning-1)) adc_binning: 1 + # list of columns to apply jitter to. + jitter_cols: ["@x_column", "@y_column", "@tof_column"] + # Jitter amplitude or list of jitter amplitudes. Should equal half the digitial step size of each jitter_column + jitter_amps: 0.5 energy: # Number of bins to use for energy calibration traces diff --git a/sed/core/dfops.py b/sed/core/dfops.py index a09a5f9c..e4d43252 100644 --- a/sed/core/dfops.py +++ b/sed/core/dfops.py @@ -30,6 +30,8 @@ def apply_jitter( with added jitter. Defaults to None. amps (Union[float, Sequence[float]], optional): Amplitude scalings for the jittering noise. If one number is given, the same is used for all axes. + For normal noise, the added noise will have sdev [-amp, +amp], for + uniform noise it will cover the interval [-amp, +amp]. Defaults to 0.5. jitter_type (str, optional): the type of jitter to add. 'uniform' or 'normal' distributed noise. Defaults to "uniform". diff --git a/sed/core/processor.py b/sed/core/processor.py index 22114e44..51d7b638 100644 --- a/sed/core/processor.py +++ b/sed/core/processor.py @@ -1267,23 +1267,38 @@ def calibrate_delay_axis( else: print(self._dataframe) - def add_jitter(self, cols: Sequence[str] = None): + def add_jitter( + self, + cols: List[str] = None, + amps: Union[float, Sequence[float]] = None, + **kwds, + ): """Add jitter to the selected dataframe columns. Args: - cols (Sequence[str], optional): The colums onto which to apply jitter. + cols (List[str], optional): The colums onto which to apply jitter. Defaults to config["dataframe"]["jitter_cols"]. + amps (Union[float, Sequence[float]], optional): Amplitude scalings for the + jittering noise. If one number is given, the same is used for all axes. + For uniform noise (default) it will cover the interval [-amp, +amp]. + Defaults to config["dataframe"]["jitter_amps"]. + **kwds: additional keyword arguments passed to apply_jitter """ if cols is None: - cols = self._config["dataframe"].get( - "jitter_cols", - self._dataframe.columns, - ) # jitter all columns + cols = self._config["dataframe"]["jitter_cols"] + for loc, col in enumerate(cols): + if col.startswith("@"): + cols[loc] = self._config["dataframe"].get(col.strip("@")) + + if amps is None: + amps = self._config["dataframe"]["jitter_amps"] self._dataframe = self._dataframe.map_partitions( apply_jitter, cols=cols, cols_jittered=cols, + amps=amps, + **kwds, ) metadata = [] for col in cols: diff --git a/sed/diagnostics.py b/sed/diagnostics.py index 912de307..22e7dd6d 100644 --- a/sed/diagnostics.py +++ b/sed/diagnostics.py @@ -1,7 +1,6 @@ """This module contains diagnostic output functions for the sed module """ -from typing import List from typing import Sequence from typing import Tuple @@ -13,16 +12,16 @@ def plot_single_hist( - histvals: List[int], - edges: List[float], + histvals: np.ndarray, + edges: np.ndarray, legend: str = None, **kwds, ) -> pbk.Figure: """Bokeh-based plotting of a single histogram with legend and tooltips. Args: - histvals (List[int]): Histogram counts (e.g. vertical axis). - edges (List[float]): Histogram edge values (e.g. horizontal axis). + histvals (np.ndarray): Histogram counts (e.g. vertical axis). + edges (np.ndarray): Histogram edge values (e.g. horizontal axis). legend (str, optional): Text for the plot legend. Defaults to None. **kwds: Keyword arguments for ``bokeh.plotting.figure().quad()``. diff --git a/tests/test_binning.py b/tests/test_binning.py index 871be1bc..74062cb5 100644 --- a/tests/test_binning.py +++ b/tests/test_binning.py @@ -393,8 +393,8 @@ def test_simplify_binning_arguments( ranges_, ) - for i, bin_ in enumerate(bins__): - np.testing.assert_array_equal(bin_, bins_expected[i]) + for i, _ in enumerate(bins__): + np.testing.assert_array_equal(bins__[i], bins_expected[i]) np.testing.assert_array_equal(axes__[i], axes_expected[i]) if ranges__ is not None: np.testing.assert_array_equal(ranges__[i], ranges_expected[i]) diff --git a/tests/test_processor.py b/tests/test_processor.py index fba83d77..270d1614 100644 --- a/tests/test_processor.py +++ b/tests/test_processor.py @@ -581,11 +581,15 @@ def test_add_jitter(): system_config={}, ) res1 = processor.dataframe["X"].compute() + res1a = processor.dataframe["ADC"].compute() processor.add_jitter() res2 = processor.dataframe["X"].compute() + res2a = processor.dataframe["ADC"].compute() np.testing.assert_allclose(res1, np.round(res1)) np.testing.assert_allclose(res1, np.round(res2)) assert (res1 != res2).all() + # test that jittering is not applied on ADC column + np.testing.assert_allclose(res1a, res2a) def test_event_histogram():