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pr-omethe-us/PyKED: v0.4.0

Bryan W. Weber; Kyle Niemeyer; EthanBesse


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    <subfield code="a">&lt;a href="https://github.com/pr-omethe-us/PyKED/compare/v0.3.0...v0.4.0"&gt;0.4.0&lt;/a&gt; - 2018-04-07
Added
&lt;ul&gt;
&lt;li&gt;New method to instantiate a &lt;code&gt;ChemKED&lt;/code&gt; class directly from a ReSpecTh XML file&lt;/li&gt;
&lt;li&gt;The &lt;code&gt;__version__&lt;/code&gt; attribute can be imported from the top-level module&lt;/li&gt;
&lt;li&gt;New &lt;code&gt;time-histories&lt;/code&gt; field to replace the &lt;code&gt;volume-history&lt;/code&gt;. This field allows specification of several other relevant parameters besides volume.&lt;/li&gt;
&lt;li&gt;Added &lt;code&gt;rcm-data&lt;/code&gt; field and moved &lt;code&gt;compressed-temperature&lt;/code&gt;, &lt;code&gt;compressed-pressure&lt;/code&gt;, and &lt;code&gt;compression-time&lt;/code&gt; to this field&lt;/li&gt;
&lt;li&gt;Added &lt;code&gt;stroke&lt;/code&gt;, &lt;code&gt;clearance&lt;/code&gt;, and &lt;code&gt;compression-ratio&lt;/code&gt; to the &lt;code&gt;rcm-data&lt;/code&gt; field&lt;/li&gt;
&lt;li&gt;Added conda-forge instructions to the installation documentation&lt;/li&gt;
&lt;li&gt;Allow alpha versions to be specified during testing&lt;/li&gt;
&lt;/ul&gt;
Changed
&lt;ul&gt;
&lt;li&gt;Crossref lookups via Habanero now comply with the "be-nice" policy&lt;/li&gt;
&lt;li&gt;Removed &lt;code&gt;UnboundLocalError&lt;/code&gt; from error processing for reference validation&lt;/li&gt;
&lt;li&gt;Switch to flake8 for style checking in CI services&lt;/li&gt;
&lt;li&gt;&lt;code&gt;file-author&lt;/code&gt; field is now a list called &lt;code&gt;file-authors&lt;/code&gt;&lt;/li&gt;
&lt;li&gt;ReSpecTh-&amp;gt;ChemKED converter function now returns a dictionary, while the command-line entry points write out files&lt;/li&gt;
&lt;li&gt;Require Habanero&amp;gt;=0.6.0 to support the &lt;code&gt;mailto&lt;/code&gt; argument&lt;/li&gt;
&lt;li&gt;Require pytest&amp;gt;=3.2.0 to support the &lt;code&gt;pytest.mark.filterwarnings&lt;/code&gt; decorator&lt;/li&gt;
&lt;li&gt;Deprecate the &lt;code&gt;volume-history&lt;/code&gt; field in the ChemKED YAML file and replace with &lt;code&gt;time-histories&lt;/code&gt;&lt;/li&gt;
&lt;li&gt;ORCID lookups are now done by a function in the local &lt;code&gt;orcid.py&lt;/code&gt; module, removing an external dependency&lt;/li&gt;
&lt;li&gt;Composition in a &lt;code&gt;DataPoint&lt;/code&gt; is now stored in a dictionary of &lt;code&gt;namedtuple&lt;/code&gt;s (called &lt;code&gt;Composition&lt;/code&gt;) rather than a list of dictionaries&lt;/li&gt;
&lt;/ul&gt;
Fixed
&lt;ul&gt;
&lt;li&gt;Crossref lookups in the converters use the common API instance from validation&lt;/li&gt;
&lt;li&gt;&lt;code&gt;d/dt max extrapolated&lt;/code&gt; ignition type can be converted to/from ReSpecTh&lt;/li&gt;
&lt;li&gt;Tests now check for appropriate warnings and ignore unrelated warnings&lt;/li&gt;
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