psdi-data-conversion 0.1.5__py3-none-any.whl → 0.1.7__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- psdi_data_conversion/app.py +11 -1
- psdi_data_conversion/static/content/header-links.html +1 -1
- psdi_data_conversion/static/content/index-versions/header-links.html +1 -1
- psdi_data_conversion/static/content/index-versions/psdi-common-header.html +12 -9
- psdi_data_conversion/static/content/psdi-common-header.html +12 -9
- psdi_data_conversion/static/styles/format.css +2 -2
- psdi_data_conversion/static/styles/psdi-common.css +5 -0
- psdi_data_conversion/{static/content → templates}/documentation.htm +25 -5
- psdi_data_conversion/templates/index.htm +2 -2
- {psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/METADATA +4 -1
- {psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/RECORD +14 -14
- {psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/WHEEL +0 -0
- {psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/entry_points.txt +0 -0
- {psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/licenses/LICENSE +0 -0
psdi_data_conversion/app.py
CHANGED
@@ -197,7 +197,7 @@ def get_tag_and_sha() -> str:
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@app.route('/')
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def website():
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"""Return the web page along with
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"""Return the web page along with relevant data
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"""
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tag, sha = get_tag_and_sha()
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return render_template("index.htm",
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sha=sha)
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@app.route('/documentation.htm')
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def documentation():
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"""Return the documentation page
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"""
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tag, sha = get_tag_and_sha()
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return render_template("documentation.htm",
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tag=tag,
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sha=sha)
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@app.route('/convert/', methods=['POST'])
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def convert():
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"""Convert file to a different format and save to folder 'downloads'. Delete original file. Note that downloading is
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<a href="../../" class="navbar__item navbar__link">Home</a>
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<a href="report.htm" class="navbar__item navbar__link">Report Missing Format/Conversion</a>
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<a href="feedback.htm" class="navbar__item navbar__link">Provide Feedback</a>
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<a href="documentation.htm" class="navbar__item navbar__link">Documentation</a>
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<a href="../../documentation.htm" class="navbar__item navbar__link">Documentation</a>
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<a href="download.htm" class="navbar__item navbar__link service-only">Download</a>
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<a href="accessibility.htm" class="navbar__item navbar__link">Accessibility</a>
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<a href="mailto:support@psdi.ac.uk" class="navbar__item navbar__link" id="mail">Contact Us</a>
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<a href="./" class="navbar__item navbar__link">Home</a>
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<a href="static/content/report.htm" class="navbar__item navbar__link">Report Missing Format/Conversion</a>
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<a href="static/content/feedback.htm" class="navbar__item navbar__link">Provide Feedback</a>
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<a href="
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<a href="./documentation.htm" class="navbar__item navbar__link">Documentation</a>
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<a href="static/content/download.htm" class="navbar__item navbar__link service-only">Download</a>
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<a href="static/content/accessibility.htm" class="navbar__item navbar__link">Accessibility</a>
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<a href="mailto: psdi@soton.ac.uk" class="navbar__item navbar__link" id="mail">Contact</a>
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<div class="header-left">
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<div class="navbar__brand">
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<a class="navbar__logo" href="https://psdi.ac.uk/">
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<img src="static/img/psdi-logo-darktext.png" alt="PSDI logo"
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<img src="static/img/psdi-logo-lighttext.png" alt="PSDI logo"
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class="dm-only">
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<img src="static/img/psdi-logo-darktext.png" alt="PSDI logo" class="lm-only">
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<img src="static/img/psdi-logo-lighttext.png" alt="PSDI logo" class="dm-only">
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</a>
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<a class="navbar__title" href=".">
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<h5>Data Conversion Service</h5>
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</div>
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</div>
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<div class="navbar__items navbar__items--right">
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<!-- This file contains the links that will appear in the top-right of the header bar for .html files in the index.htm page. -->
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<!-- This file contains the links that will appear in the top-right of the header bar for .html files in the index.htm page. -->
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<a href="./" class="navbar__item navbar__link">Home</a> <a href="static/content/report.htm"
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class="navbar__item navbar__link">Report Missing Format/Conversion</a> <a href="static/content/feedback.htm"
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class="navbar__item navbar__link">Provide Feedback</a> <a href="./documentation.htm"
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class="navbar__item navbar__link">Documentation</a> <a href="static/content/download.htm"
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class="navbar__item navbar__link service-only">Download</a> <a href="static/content/accessibility.htm"
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class="navbar__item navbar__link">Accessibility</a> <a href="mailto: psdi@soton.ac.uk"
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class="navbar__item navbar__link" id="mail">Contact</a>
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<button class="clean-btn color-mode-toggle" title="Switch between dark and light mode"
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aria-label="Lightmode/darkmode toggle button">
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<img src="static/img/colormode-toggle-lm.svg" alt="Lightmode toggle icon"
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-
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<img src="static/img/colormode-toggle-dm.svg" alt="Darkmode toggle icon"
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class="dm-only">
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<img src="static/img/colormode-toggle-lm.svg" alt="Lightmode toggle icon" class="lm-only">
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<img src="static/img/colormode-toggle-dm.svg" alt="Darkmode toggle icon" class="dm-only">
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</button>
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</div>
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</div>
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<div class="header-left">
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<div class="navbar__brand">
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<a class="navbar__logo" href="https://psdi.ac.uk/">
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<img src="../img/psdi-logo-darktext.png" alt="PSDI logo"
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<img src="../img/psdi-logo-lighttext.png" alt="PSDI logo"
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class="dm-only">
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<img src="../img/psdi-logo-darktext.png" alt="PSDI logo" class="lm-only">
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<img src="../img/psdi-logo-lighttext.png" alt="PSDI logo" class="dm-only">
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</a>
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<a class="navbar__title" href="../../">
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<h5>Data Conversion Service</h5>
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</div>
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</div>
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<div class="navbar__items navbar__items--right">
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<!-- This file contains the links that will appear in the top-right of the header bar for .html files in this directory. -->
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<!-- This file contains the links that will appear in the top-right of the header bar for .html files in this directory. -->
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<a href="../../" class="navbar__item navbar__link">Home</a> <a href="report.htm"
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class="navbar__item navbar__link">Report Missing Format/Conversion</a> <a href="feedback.htm"
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class="navbar__item navbar__link">Provide Feedback</a> <a href="../../documentation.htm"
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class="navbar__item navbar__link">Documentation</a> <a href="download.htm"
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class="navbar__item navbar__link service-only">Download</a> <a href="accessibility.htm"
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class="navbar__item navbar__link">Accessibility</a> <a href="mailto:support@psdi.ac.uk"
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class="navbar__item navbar__link" id="mail">Contact Us</a>
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<button class="clean-btn color-mode-toggle" title="Switch between dark and light mode"
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aria-label="Lightmode/darkmode toggle button">
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<img src="../img/colormode-toggle-lm.svg" alt="Lightmode toggle icon"
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<img src="../img/colormode-toggle-dm.svg" alt="Darkmode toggle icon"
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class="dm-only">
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<img src="../img/colormode-toggle-lm.svg" alt="Lightmode toggle icon" class="lm-only">
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<img src="../img/colormode-toggle-dm.svg" alt="Darkmode toggle icon" class="dm-only">
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</button>
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</div>
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</div>
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/* We use the production-mode variable to control whether elements with the "prod-only" or "dev-only" class are shown
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*/
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[production-mode=
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[production-mode=False] .prod-only {
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display: none;
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}
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[production-mode=
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[production-mode=True] .dev-only {
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display: none;
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}
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align-items : center;
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}
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/* Applies only to buttons with this class not in the PSDI header, to not break docusaurus sites */
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.clean-btn {
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margin: 0;
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}
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#psdi-header .clean-btn {
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background : none;
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border : none;
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<head>
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<meta name="viewport" content="width=device-width, initial-scale=1.0">
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<title>PSDI Data Conversion Service</title>
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<link rel="icon" type="image/x-icon" href="
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<link rel="icon" type="image/x-icon" href="./static/img/psdi-icon-dark.svg">
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<link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
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<link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
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<link rel="stylesheet"
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<link href="https://fonts.googleapis.com/css?family=Open+Sans:400" rel="stylesheet" type="text/css">
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<link href="https://fonts.googleapis.com/css?family=Lexend:400" rel="stylesheet" type="text/css">
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<link rel="stylesheet" href="{{url_for('static', filename='styles/format.css')}}">
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<script src="https://code.jquery.com/jquery-3.7.1.js" integrity="sha256-eKhayi8LEQwp4NKxN+CfCh+3qOVUtJn3QNZ0TciWLP4="
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crossorigin="anonymous"></script>
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<script src="https://cdn.jsdelivr.net/jquery.dirtyforms/2.0.0/jquery.dirtyforms.min.js"></script>
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<script src="
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<script src="
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<script src="
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<script src="static/javascript/load_accessibility.js"></script>
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<script src="static/javascript/common.js" type="module"></script>
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<script src="static/javascript/psdi-common.js" type="module"></script>
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</head>
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<body marginwidth="0">
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<div id="cover"></div>
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<header class="header" id="psdi-header"></header>
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<script type="module">
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import { setHeaderLinksSource, setHeaderSource, setFooterSource } from "./static/javascript/psdi-common.js";
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// Due to the index being a template which will exist in a different directory once rendered, we need to set
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// a non-default location of the header links file
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setHeaderSource("{{url_for('static', filename='content/index-versions/psdi-common-header.html')}}");
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setFooterSource("{{url_for('static', filename='content/index-versions/psdi-common-footer.html')}}");
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setHeaderLinksSource("{{url_for('static', filename='content/index-versions/header-links.html')}}");
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</script>
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<div class="hero">
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<div class="max-width-box">
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in the changes being lost. Note that page appearance may vary slightly according to the browser used.</p>
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<p>The colour options here are not compatible with the dark-mode toggle in the header bar. If a custom dark scheme
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is desired, the appropriate colours can be selected in light-mode.</p>
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<h3>About</h3>
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<p><strong>PSDI Data Conversion service</strong><br>
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<span class="local-only">Local GUI</span><span class="service-only">Public web service</span> mode -
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<span class="dev-only">Development</span><span class="prod-only">Production</span> build<br>
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{% if tag %}<strong>Version:</strong> {{ tag }}<br>{% endif %}
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{% if sha %}<span class="dev-only"><strong>SHA of latest commit:</strong> {{ sha }}<br></span>{% endif %}
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<strong>Project source:</strong> <a
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href="https://github.com/PSDI-UK/psdi-data-conversion">https://github.com/PSDI-UK/psdi-data-conversion</a><br>
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</p>
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<div class="medGap"></div>
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</div>
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</form>
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<p>Your one-stop shop for file format conversion, PSDI's Data Conversion Service enables users to seamlessly
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convert between different file formats and assess the quality of proposed conversions. This is the web version
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of our service. To find out more about Data Conversion and our other tools, click
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<a href="https://resources.psdi.ac.uk/
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<a href="https://resources.psdi.ac.uk/service/8334f94b-1c6e-4034-a5ab-71c6df375cba" id="more"
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target="_blank">here.</a>
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</p>
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<div id="format-selection">
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</div>
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</form>
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{% if tag %}
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<div class="secondary
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<div class="secondary dev-only">
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<div class="max-width-box">PSDI Data Conversion {{ tag }} {% if sha %} (SHA: {{ sha }}) {% endif %}</div>
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</div>
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{% endif %}
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Metadata-Version: 2.4
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Name: psdi_data_conversion
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Version: 0.1.
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Version: 0.1.7
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Summary: Chemistry file format conversion service, provided by PSDI
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Project-URL: Homepage, https://data-conversion.psdi.ac.uk/
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Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/
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# PSDI Data Conversion
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[](https://opensource.org/licenses/Apache-2.0)
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Release date: 2024-04-29
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This is the repository for the PSDI PF2 Chemistry File Format Conversion project. The goal of this project is to provide utilities to assist in converting files between the many different file formats used in chemistry, providing information on what converters are available for a given conversion and the expected quality of it, and providing multiple interfaces to perform these conversions. These interfaces are:
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psdi_data_conversion/__init__.py,sha256=urMsTqsTHTch1q4rMT9dgGnrvdPFMP9B8r-6Kr8H5sE,404
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psdi_data_conversion/app.py,sha256=
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psdi_data_conversion/app.py,sha256=knw1gCOdm5K3XWwAMhWVqqPY5fu-0EqUA2a_7IcL8m8,17512
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psdi_data_conversion/constants.py,sha256=Hq2OVbcSkcv6T87-YJlo1PVlr9ILlB4H3E9JYjzvCF4,7423
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psdi_data_conversion/converter.py,sha256=Y77mqH2OKxf2YelphWDl82AKoRa-APle-l3e8wG_WZA,27315
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psdi_data_conversion/database.py,sha256=XzKvtT-cFmKLWLo5OBB5CV_rGHuqEEuENNyZnbS39qE,56419
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psdi_data_conversion/static/content/convert.htm,sha256=sw4U8yQQXNYXl2ruYPfg6qIMozL2KMpWlKcAzn208X8,7166
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psdi_data_conversion/static/content/convertato.htm,sha256=IQ2PUodkWdZbbuvctDs2Ow0tEJXvhrnzhvGYDF7Oiiw,3669
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psdi_data_conversion/static/content/convertc2x.htm,sha256=mqMscskUPS1JtV1ABl91kH_JyCmK7ORFjD1n2_MZFz4,3669
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psdi_data_conversion/static/content/documentation.htm,sha256=1GiEjlDCP0kJ3CKkx3l1gPxeOPp4bdOP95MPKx4dzvI,5557
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psdi_data_conversion/static/content/download.htm,sha256=DQKWEuq_Bjv2TyV6DnPXnHrSOBvGYRHOU-m6YOwfsh4,4727
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psdi_data_conversion/static/content/feedback.htm,sha256=fZrhn4Egs9g6ygqPzV6ZG9ndYK02VdALNVNXRsZ716k,1788
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psdi_data_conversion/static/content/header-links.html,sha256=
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psdi_data_conversion/static/content/header-links.html,sha256=DMELMnFgAuNz8XUt9P75Zn9qWz9bZyfIv4OVZRP86BY,699
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psdi_data_conversion/static/content/psdi-common-footer.html,sha256=3_KqTtwtkvCvi52LcRrN7oVfMfFdHqrHc39gMrYzGxg,4070
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psdi_data_conversion/static/content/report.htm,sha256=CRwlF7a7QvAjHsajuehWOtLxbo-JAjqrS_Q-I4BWxzs,4549
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psdi_data_conversion/static/content/index-versions/header-links.html,sha256=
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psdi_data_conversion/static/content/index-versions/header-links.html,sha256=L3Bz1HzmdwkeCiOFITZWyXkPupYWtZVaZ06Vlxb0Mgw,751
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psdi_data_conversion/static/content/index-versions/psdi-common-footer.html,sha256=APBMI9c5-4fNV-CCYEs9ySgAahc7u1w-0e3EjM1MiD8,4126
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psdi_data_conversion/static/content/index-versions/psdi-common-header.html,sha256=deLfs9orJk_snptS34Vgp3r0q37gItvcODOLpOqlEKQ,1888
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psdi_data_conversion/static/data/data.json,sha256=1nljosxtwbLRfIIIa6-GHJnhvzhB759oEGvVQ18QP_4,3647095
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psdi_data_conversion/static/img/colormode-toggle-dm.svg,sha256=Q85ODwU67chZ77lyT9gITtnmqzJEycFmz35dJuqaPXE,502
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psdi_data_conversion/static/img/colormode-toggle-lm.svg,sha256=sIKXsNmLIXU4fSuuqrN0r-J4Hd3NIqoiXNT3mdq5-Fo,1155
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psdi_data_conversion/static/javascript/psdi-common.js,sha256=I0QqGQ7l_rA4KEfenQTfPc-uOXXp8sxMh_NHL3EkFm4,6231
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psdi_data_conversion/static/javascript/report.js,sha256=BHH5UOhXJtB6J_xk_y6woquNKt5W9hCrQapxKtGG1eA,12470
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psdi_data_conversion/static/styles/format.css,sha256=
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psdi_data_conversion/templates/
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psdi_data_conversion/static/styles/format.css,sha256=v4kppsPEigK76bjkrL1r_5fA5350dtj3OQh4qzY27rc,3269
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psdi_data_conversion/static/styles/psdi-common.css,sha256=w6WMKL4oeAQDQlwZOr-K-F3OXUXLbcjvmSGWqIT5Lj4,17378
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psdi_data_conversion/templates/documentation.htm,sha256=thLOvEW4crVlqgydiOvP-Oiq8o7KtAsC1oqR6ltGDDs,7192
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psdi_data_conversion/templates/index.htm,sha256=YM4iXC_4ARj-VfPVxVrfW1SI3WacqO-p5T-ohysR0FA,6833
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psdi_data_conversion/testing/__init__.py,sha256=Xku7drtLTYLLPsd403eC0LIEa_iohVifyeyAITy2w7U,135
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psdi_data_conversion/testing/constants.py,sha256=BtIafruSobZ9cFY0VW5Bu209eiftnN8b3ObouZBrFQU,521
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psdi_data_conversion/testing/conversion_callbacks.py,sha256=ATR-_BsYCUN8KyOyUjfdWCELzySxLN5jOI0JyrQnmHQ,18858
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psdi_data_conversion/testing/conversion_test_specs.py,sha256=8W97tI6dVbHE9BEW76dsKDlfsm5oTlrlntG--b0h8HU,26106
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psdi_data_conversion/testing/gui.py,sha256=ul7ixYANIzmOG2ZNOZmQO6wsHmGHdiBGAlw-KuoN0j8,19085
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psdi_data_conversion/testing/utils.py,sha256=YrFxjyiIx1seph0j7jCUgAVm6HvXY9QJjx0MvNJRbfw,26134
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psdi_data_conversion-0.1.7.dist-info/METADATA,sha256=apoqhRWCzkWMbXnZvyxcmU1L4pY-sLp0BPNAVTOVGzo,48380
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psdi_data_conversion-0.1.7.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
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psdi_data_conversion-0.1.7.dist-info/entry_points.txt,sha256=xL7XTzaPRr2E67WhOD1M1Q-76hB8ausQlnNiHzuZQPA,123
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psdi_data_conversion-0.1.7.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
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psdi_data_conversion-0.1.7.dist-info/RECORD,,
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{psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/entry_points.txt
RENAMED
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{psdi_data_conversion-0.1.5.dist-info → psdi_data_conversion-0.1.7.dist-info}/licenses/LICENSE
RENAMED
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