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pr-omethe-us/PyKED: v0.4.0

Bryan W. Weber; Kyle Niemeyer; EthanBesse


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  <dc:creator>Bryan W. Weber</dc:creator>
  <dc:creator>Kyle Niemeyer</dc:creator>
  <dc:creator>EthanBesse</dc:creator>
  <dc:date>2018-03-07</dc:date>
  <dc:description>0.4.0 - 2018-04-07
Added

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 the volume-history. This field allows specification of several other relevant parameters besides volume.
Added rcm-data field and moved compressed-temperature, compressed-pressure, and compression-time to this field
Added stroke, clearance, and compression-ratio to the rcm-data field
Added conda-forge instructions to the installation documentation
Allow alpha versions to be specified during testing

Changed

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 called file-authors
ReSpecTh-&gt;ChemKED converter function now returns a dictionary, while the command-line entry points write out files
Require Habanero&gt;=0.6.0 to support the mailto argument
Require pytest&gt;=3.2.0 to support the pytest.mark.filterwarnings decorator
Deprecate the volume-history field in the ChemKED YAML file and replace with time-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 of namedtuples (called Composition) rather than a list of dictionaries

Fixed

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
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  <dc:identifier>https://zenodo.org/record/1193936</dc:identifier>
  <dc:identifier>10.5281/zenodo.1193936</dc:identifier>
  <dc:identifier>oai:zenodo.org:1193936</dc:identifier>
  <dc:relation>url:https://github.com/pr-omethe-us/PyKED/tree/v0.4.0</dc:relation>
  <dc:relation>doi:10.5281/zenodo.597935</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:title>pr-omethe-us/PyKED: v0.4.0</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
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