All notable changes to this project will be documented in this file.
The format is based on Keep a Changelog and this project adheres to Semantic Versioning.
- Add codemeta file
- Directly use the Markdown formatting of the README on pypi, rather than converting to reST
- Remove unnecessary
orcid
package from the test environment - Specify versions of all package dependencies
- Use pip to install package in conda build
- Composition type is included in the pandas data-frame resulting from
to_dataframe()
0.4.1 - 2018-03-09
- Documentation for old versions is available on the Releases page of the docs
- Doctr deploys on tags now
- Syntax changes for example files in the documentation
0.4.0 - 2018-03-07
- New method to instantiate a
ChemKED
class directly from a ReSpecTh XML file - The
__version__
attribute can be imported from the top-level module - New
time-histories
field to replace thevolume-history
. This field allows specification of several other relevant parameters besides volume. - Added
rcm-data
field and movedcompressed-temperature
,compressed-pressure
, andcompression-time
to this field - Added
stroke
,clearance
, andcompression-ratio
to thercm-data
field - Added conda-forge instructions to the installation documentation
- Allow alpha versions to be specified during testing
- Crossref lookups via Habanero now comply with the "be-nice" policy
- Removed
UnboundLocalError
from error processing for reference validation - Switch to flake8 for style checking in CI services
file-author
field is now a list calledfile-authors
- ReSpecTh->ChemKED converter function now returns a dictionary, while the command-line entry points write out files
- Require Habanero>=0.6.0 to support the
mailto
argument - Require pytest>=3.2.0 to support the
pytest.mark.filterwarnings
decorator - Deprecate the
volume-history
field in the ChemKED YAML file and replace withtime-histories
- ORCID lookups are now done by a function in the local
orcid.py
module, removing an external dependency - Composition in a
DataPoint
is now stored in a dictionary ofnamedtuple
s (calledComposition
) rather than a list of dictionaries
- Crossref lookups in the converters use the common API instance from validation
d/dt max extrapolated
ignition type can be converted to/from ReSpecTh- Tests now check for appropriate warnings and ignore unrelated warnings
0.3.0 - 2017-10-09
- New extrapolated ignition type, where the maximum slope is extrapolated to the baseline
- Tests that the composition type is stored properly in the
DataPoint
species_conversion
dictionary can be passed to theget_cantera_mole_fraction
andget_cantera_mass_fraction
functions to change the name of a species in the output string- Jupyter Notebook examples of usage
- Removes
elemental-composition
as a synonym foratomic-composition
- Fixes
test_incorrect_doi_period_at_end
docstring
- Conda builds are now noarch - one package for all Pythons!
- pip installs now require Python compatible with 3.5
- Appveyor runs a single job and no longer builds conda packages
- Remove journal from required fields in the reference
0.2.1 - 2017-08-31
- Fixes Cantera convenience output functions
0.2.0 - 2017-08-10
- Adds ChemKED method to write new file, with tests
- Adds converters to and from ReSpecTh files, with tests
- Adds command-line entry points for converter scripts
- Add docs for converters
ignition_type
dictionary inDataPoint
is nowdeepcopy
d
0.1.6 - 2017-07-17
- Added logo files to repo
- Added
first_stage_ignition_delay
,compressed_pressure
, andcompressed_temperature
as properties
- Added Zenodo collection DOI to CITATION.md
0.1.5 - 2017-05-22
- Schema can now be split into multiple files via
!include
directive
- Remove Python 2.7 classifier from
setup.py
- DataFrame output for datapoints lists with multiple compositions (i.e., a species not in all compositions)
- Improved tests with no internet
- Improved tests with no warning
0.1.4 - 2017-04-21
- Add
skip_validation
keyword argument to theChemKED
initializer
- Python 2.7 support is removed again
0.1.3 - 2017-04-13
- Add back Python 2.7 support
- Add Appveyor builds for Windows conda packages
0.1.2 - 2017-04-13
- Tests of the composition uncertainty in the DataPoint
- Tests of the values in the references
- Packaging for conda and PyPI
- Add Anaconda-Server badge to README
- All fixed DOIs in CITATION.md are now specified with placeholders
0.1.1 - 2017-04-02
- Added Zenodo DOI badge to README
- Added CITATION file, and mention of license to README
- Fixed chemked-version bug in schema introduced in 0.1.0
0.1.0 - 2017-04-02
- First minor release of PyKED, supporting autoignition experiments.
- Basic API documentation is available via https://pr-omethe-us.github.io/PyKED/