radioactivedecay - Release 0.6.1

• Fix TypeError: expected str, bytes or os.PathLike object, not NoneType errors on import with Python 3.9 (#117 & #118)

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 1 year ago

radioactivedecay - Release 0.6.0

• Modernize build system using a single pyproject.toml (#115).
• Drop Python 3.8 support and add Python 3.13 support (#115).
• Code quality improvements: PEP 585 style type hints, some mypy, black & pylint fixes, and increased test coverage (#115).
• Fix test failures with Sympy >=1.13.2 (#109).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 1 year ago

radioactivedecay - Release 0.5.1

• Fix tests to work with NumPy 2.0.0, which introducted NEP 51 string representations of NumPy data types (#107).

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 2 years ago

radioactivedecay - Release 0.5.0

• Add new decay_time_series_pandas() and decay_time_series() methods for Inventories. These respectively return a pandas dataframe or lists of data for how the inventory decays over time (including all progeny in the output) (#104)
• This means Pandas is now a dependency of this package
• Fix pkg_resources deprecated warning and some pylint warnings (#106)
• Drop support for Python 3.6 & 3.7 which are end of life (#106)

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 2 years ago

radioactivedecay - Release 0.4.22

• Add explicit support for Python v3.12.
• Fix broken conda badge in README.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 2 years ago

radioactivedecay - Release 0.4.21

• Add Inventory.to_csv() and InventoryHP.to_csv() methods for writing an inventory's contents to a CSV file (in user's chosen units) (#94).

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 3 years ago

radioactivedecay - Release 0.4.20

• Add rd.read_csv() function for creating an inventory by reading nuclides & quantities (and optionally units) in from a CSV file (#94).

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 3 years ago

radioactivedecay - Release 0.4.19

• Fix bug whereby inventories would not instantiate with NumPy int datatypes (e.g. numpy.int32) for the nuclide quantity in the instantiation dictionary. Previously a ValueError was raised (#96).

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 3 years ago

radioactivedecay - Release 0.4.18

• Prohibit instantiation of an inventory if the user supplies an activity for a stable nuclide.

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 3 years ago

radioactivedecay - Release 0.4.17

• Fixes bug affecting the conversion of dpm to other activity units. Results given were incorrect by a factor of 3600 due to a timesing instead of dividing by 60 error.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 3 years ago

radioactivedecay - Release 0.4.16

• Added explicit support for Python v3.11.
• Use latest importlib-resources API (files() etc.) to fix warnings. This required that the backport importlib_resources package is used for Python 3.7 & 3.8.
• Fix pylint repr() usage warnings in tests.
• Use isort to sort imports and check in code formatting action.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 3 years ago

radioactivedecay - Release 0.4.15

• Fix normal precision inventory unit tests for decay() and cumulative_decays() methods (#84). The tests now warn if the calculated floats are not exact matches for the test defaults, and assert that the calculated floats are within max(reltol=1e-7, abstol=1e-30) of the expected values. This means the tests that had previously started flaking on GitHub Actions CI (sporadically) will now pass.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 3 years ago

radioactivedecay - Release 0.4.14

• Fix bug where high-precision (SymPy) default dataset had incorrect half-lives for Th-232, Sm-147 and Rb-87 (#82). All users performing InventoryHP decay calculations for chains containing these radionuclide are encouraged to upgrade without delay. Previous radioactivedecay versions gave incorrect results (note normal precision Inventory decays were unaffected).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 3 years ago

radioactivedecay - Release 0.4.13

• Code improvement to support metastable states up to 6th state (#76).
• Added labels for more decay modes (including heavy cluster decay modes) to decay chain plots code (#77).
• Improve parsing of nuclide strings (#78). Note: you must use the correct capitalization of the metastable state and the element chars when using mass number first format, e.g. use '130nI' to get I-130n, not '130ni', '130Ni' or '130NI' as these will be mistaken as Nickel (Ni). Capitalization does not matter if using element first formats, e.g. 'I-130N' or 'I130N' will be correctly parsed to I-130n.

Scientific Software - Peer-reviewed - Python
Published by lemointm about 4 years ago

radioactivedecay - Release 0.4.12

• Added more stable products to the default ICRP-107 dataset (#75).

Scientific Software - Peer-reviewed - Python
Published by lemointm about 4 years ago

radioactivedecay - Release 0.4.11

• Default ymin for Inventory plot() method is now 0.95x the minimum quantity that occurs over the decay period when yscale='log' (#70 & #72).
• Improved nuclide string parsing: robust to nuclide strings containing whitespaces and some incorrect capitalizations of the element / metastable state chars (#65 & #72).
• Fix load_dataset() docstring not showing in decaydata API docpage (#71).

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 4 years ago

radioactivedecay - Release 0.4.10

• Fix incorrect parsing of sympy version string (#67, #68). This bug meant radioactivedecay import failed if using sympy >=1.10. The fix makes setuptools an explicit dependency.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 4 years ago

radioactivedecay - Release 0.4.9

• Code refactoring: reduce coupling between modules by refactoring Converter, Nuclide & Inventory classes to not store duplicate data, but to receive data when needed via their API calls. DecayData objects no longer store Converter objects. Continuing to reduce pylint/mypy errors/warnings, however will need to wait to bump requirement to Python 3.7+ to improve type hinting of NumPy/SciPy arrays (requires NumPy 1.20+, holding off for now to maintain Python 3.6 support) (#64, #66).
• Improve API documentation table of contents & README fix (#66).
• Better unit tests for DecayData class and error handling is instance does not contain SymPy data (#66).
• Move dataset creation and comparison notebooks to separate repos within the radioactivedecay org on GitHub (#63).
• Tweak GitHub Issue & PR markdown templates (#62).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.8

• Fix some code bugs and make other improvements to the ReadMe and the Docs (#57, #58 & #59).
• Reduce number of mypy errors, use Python f-strings everywhere (#60).
• Fix the URL for the codecov badge in the ReadMe (#56 & #60).
• Introduce GitHub Actions for CI/CD. Add Issue & Pull Request templates (#61).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.7

• Fix old references to Radionuclide class in Readme, docs and docstrings (#54 & #55). This class was renamed to Nuclide from release v0.4.0.
• Other small rewrites to docs.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.6

• Projected transferred into radioactivedecay organization on GitHub: updated code & docs accordingly.
• Moved hosting of docs to GitHub Pages (https://radioactivedecay.github.io).
• Opened forum for project at https://github.com/radioactivedecay/radioactivedecay/discussions (uses GitHub Discussions).
• Only store radioactivedecay version number in radioactivedecay/init.py file. Read this file to obtain version number in setup.py and docs/source/conf.py.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.5

• Latest SymPy release (v1.9) changed internals of Rational / Matrix objects. This breaks loading of SymPy <=1.8 pickle objects when using SymPy v1.9. radioactivedecay now packages SymPy pickle files appropriate for SymPy <=1.8 and for SymPy >=1.9. It checks which SymPy version is in the local environment before choosing the correct files to load (fixes issue #50 and failure of radioactivedecay v0.4.4 to build on the conda-forge feedstock).
• Added support for Python v3.10 (PyPI only, not yet available via conda-forge).
• Move responsibility for file I/O from DecayData class initiator into separate function called load_dataset().

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.4

• Fix docstring typo, Inventory plot() method (#48).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.3

• Refactored DecayData class to store progeny, branching fractions and decay modes data in separate numpy arrays.
• Use np.array_equal() for checking equality of numpy arrays.
• Fix bug which caused scipy C and C^-1 matrices to be unnecessarily large.
• Added tests to check shape of scipy C and C^-1 matrices from icrp107ame2020nubase2020 dataset.
• Use idx as variable name for index of for loops.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.2

• Fixed bug in InventoryHP meaning decay() gave some incorrect results.
• Hard-coded Avogadro's constant to avoid tests failing with older versions of SciPy.
• Updated notebooks to be consistent with v0.4.0+.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.4.0

• Release 0.4.0 is a large update to radioactivedecay. It adds functionality to supply nuclide masses, moles and numbers of atoms when creating inventories, and also methods so inventories can report their contents in terms of these quantities, as well as mass or atom fractions (#35). Mass conversions use atomic mass data from the Atomic Mass Data Center (AMDC) by default.
• To enable SymPy high precision calculations throughout unit and quantity conversions, there is a new InventoryHP class (high-precision inventory class). This behaves the same as the normal precision Inventory class. The old Inventory.decay_high_precision() method is now depricated - use InventoryHP.decay() instead for high-precision decay calculations. The number of significant figures for high precision decay calculations is now specified via the InventoryHP.sig_fig attribute (default is 320) rather than as a parameter to the InventoryHP decay() and plot() methods.
• Added new cumulative_decays() method to the inventory classes. This calculates the total number of atoms of each radionuclide that decay over the decay time period.
• Added support to specify nuclides using canonical ids (#36).
• Documentation updates for all new and modified functionality.
• LICENSE file split into separate files for radioactivedecay, ICRP-107 decay data, and AMDC atomic mass data (#38).
• Added parsing of AME2020 and NuBase2020 atomic mass and isomer excitation energy data to ICRP-107 dataset Jupyter notebook. Added stable nuclides to decaydata.npz file, C and C_inv matrix SciPy and SymPy files in ICRP-107 (#33 & #34).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 4 years ago

radioactivedecay - Release 0.3.4

Release 0.3.4

• Fix bug in decay chain plots which caused overlaps of some radionuclides in complicated chains.
• Document method for installing via conda.
• Improve clarity of matplotlib imports.
• Correct a DecayData attribute docstring entry.

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 5 years ago

radioactivedecay - Release 0.3.3

Release 0.3.3

• Improve readme and fix typo.
• Add MANIFEST.in so LICENSE and markdown files get packaged.
• Update year in LICENSE file.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.3.2

Release 0.3.2

• Allow specification of sig_fig as a parameter to the decay_high_precision() method.
• Improve code with respect to pylint and mypy checks.
• Add discussion on the radioactive progeny that are not in the ICRP-107 data to the limitations section of the docs and to the Jupyter notebook analyzing the ICRP-107 data.
• Update other Jupyter notebooks for this release.
• Theory docpage typo fix.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.3.1

Release 0.3.1

• Fix bugs upon supplying Matplotlib Figure or Axes objects to Inventory and Radionuclide plot() methods.
• Docs and ReadMe updates.
• Changelog typo fixes.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.3.0

Release beta 0.3.0

• Add plot() method to Radionuclide class for creating decay chain diagrams. This adds a dependency on the NetworkX library.
• Changes plot() method of Inventory class: fix for bug which ignored the user setting of npoints when using high precision decay mode, docstring fixes, no longer call plt.show().
• Mistakes in comments of unittest python files.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.2.4

Release beta 0.2.4 - Add Inventory.half_life() method as spelling variation of Inventory.half_lives() - ReadMe: simplify. Use 'readable' for inv_t1 half-lives example.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.2.3

Release beta 0.2.3 (Mar 15, 2021)

• Improve 'readable' half-life strings for radionuclides with half-lives less than 1 s or greater than 1000 years.
• Switch from reporting microseconds as 'us' to 'μs'.
• Docs improvements: required packages and acknowledgements.
• ReadMe: Matplotlib dependency is used for plotting.
• Changelog typo fixes.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.2.2

Release beta 0.2.2

• Supply 'readable' as time unit parameter to half-life methods to get strings with the half-lives in human-readable units.
• Add support for unicode 'μs' and for 'By' (billion year) time units.
• Changed the Inventory.plot() graphs so that the decay curves are ordered from highest to lowest radionuclides in the decay chains by default. Alphabetical ordering can be specified by supplying the new order=='alphabetical' parameter to the method.
• DecayData.half_life() method docstring typo fix.

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 5 years ago

radioactivedecay - Release 0.2.1

Release beta 0.2.1

• Fixed version numbers.
• Updated logo.
• Use logo hosted on GitHub in ReadMe.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.2.0

Release beta 0.2.0

• Adds plot() method for creating inventory decay graphs using matplotlib.
• New logo in readme and docs.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.1.1

Release beta 0.1.1

The code, testing and documentation has reached a maturity level sufficient for a beta release. Changes from 0.1.0 to 0.1.1 are:

• Documentation improvements, including improved theory docpage on numerical computation methods.
• Updated Jupyter notebooks with comparisons to other decay software and decay dataset creation.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.1.0

• Adds decay_high_precision() method for high numerical precision decay calculations (adds a new dependency on the SymPy package).
• Code refactoring. Decay dataset format overhauled.
• ReadMe and Docs updates.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.0.9

• Add support for using Radionuclide objects in place of radionuclide strings for Inventory constructor, add() and remove() methods.
• Add Radionuclide __hash__() method (needed for above change).
• Add half_lives(), progeny(), branching_fractions() and decay_modes() methods to Inventory.
• Add type hinting.
• Add support for calling len() on an Inventory to find the number of radionuclides it contains.
• Add support for == and != operators with DecayData, Radionuclide and Inventory instances.
• Add support for 'ps' (picoseconds) time unit.
• Code refactoring. Radionuclide and Inventory classes moved into separate files.
• In icrp107_dataset.ipynb, clarify that ICRP-107 does not contain data on spontaneous fission outcomes.
• ReadMe and Docs updates (mainly updates of the theory and tutorial docpages).

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.0.8

• Add methods to Radionuclide class for fetching branching fractions and decay modes.
• Add methods to DecayData class for fetching half-lives, branching fractions and decay modes.
• Refactor utility functions into their own .py source file.
• Fix broken links to notebooks.
• ReadMe and Docs updates.
• Add code of conduct and contributing guidelines.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.0.7

• Restore notebooks folder.
• Add comparison to Radiological Tookbox v3.0.0.
• Add comparison to PyNE v0.7.2.
• Use Black for code formatting.
• ReadMe and Docs updates.
• Add theory section to docs.
• Fix bug in loading custom decay dataset files (allow_pickle=True in np.load()).
• Restore support for Python 3.9.

Scientific Software - Peer-reviewed - Python
Published by alexmalins over 5 years ago

radioactivedecay - Release 0.0.6

• adds docs & tests
• new option to supply paths to read other decay datasets
• updates day to year conversion factor for ICRP 107 dataset. Decay calculation results may now be slightly different from previous versions
• better code, better performance
• improved ReadMe

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 6 years ago

radioactivedecay - Release 0.0.5

New functionality for adding and subtracting inventories Support for more time unit strings Better readme

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 6 years ago

radioactivedecay - Release 0.0.4

Fix bugs affecting missing decay modes for some radionuclides Add Jupyter Notebook for generating the ICRP-07 dataset files Add Jupyter Notebook to test functionality and check results against a baseline version

Scientific Software - Peer-reviewed - Python
Published by alexmalins almost 6 years ago

radioactivedecay - Release 0.0.3

• Fix bugs affecting parsing of arguments

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 6 years ago

radioactivedecay - Release 0.0.2

• Add PyPI support
• Fix bug in validity check of dictionary argument to Inventory() affecting Python 3.8+

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 6 years ago

radioactivedecay - Release 0.0.1

First release

radioactivedecay is currently in alpha

Scientific Software - Peer-reviewed - Python
Published by alexmalins about 6 years ago