psdi-data-conversion 0.0.32__py3-none-any.whl → 0.0.35__py3-none-any.whl

psdi_data_conversion/static/content/convert.htm

@@ -10,11 +10,19 @@
   <meta name="viewport" content="width=device-width, initial-scale=1.0">
   <title>PSDI Data Conversion Service</title>
   <link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
+
   <link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
   <link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
+
+  <link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
+  <script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
+  <script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
+  <script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
+
+  <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
+
   <link rel="stylesheet" href="../styles/format.css">
   <script src="../javascript/load_accessibility.js"></script>
-  <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
   <script src="../javascript/common.js" type="module"></script>
   <script src="../javascript/psdi-common.js" type="module"></script>
 </head>
@@ -99,16 +107,19 @@
       <p id="fileChecking">
       </p>
       <p id="convertFile">
-        <input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
+        <input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
         contained in archives) all have the correct extension<br>
-        <input type="checkbox" id="requestLog">Also download log file for the conversion<br>
+        <input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
         Select file to convert:
         <br><input type="file" name="fileToUpload" id="fileToUpload"><br>
         If you have sensitive data you might prefer to use
         <a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
         our service.<br>
-        <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
-          disabled=true>
+        <span class="convert-button-and-spinner">
+          <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
+            disabled=true>
+          <span class="loading-spinner spinner-border"></span>
+        </span>
       </p>
       <div class="medGap"></div>
     </div>

psdi_data_conversion/static/content/convertato.htm

@@ -10,11 +10,19 @@
   <meta name="viewport" content="width=device-width, initial-scale=1.0">
   <title>PSDI Data Conversion Service</title>
   <link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
+
   <link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
   <link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
+
+  <link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
+  <script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
+  <script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
+  <script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
+
+  <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
+
   <link rel="stylesheet" href="../styles/format.css">
   <script src="../javascript/load_accessibility.js"></script>
-  <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
   <script src="../javascript/common.js" type="module"></script>
   <script src="../javascript/psdi-common.js" type="module"></script>
 </head>
@@ -43,16 +51,19 @@
       </p>
       <h6 id="heading"></h6>
       <p id="convertFile">
-        <input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
+        <input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
         contained in archives) all have the correct extension<br>
-        <input type="checkbox" id="requestLog">Also download log file for the conversion<br>
+        <input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
         Select file to convert:
         <br><input type="file" name="fileToUpload" id="fileToUpload"><br>
         If you have sensitive data you might prefer to use
         <a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
         our service.<br>
-        <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
-          disabled=true>
+        <span class="convert-button-and-spinner">
+          <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
+            disabled=true>
+          <span class="loading-spinner spinner-border"></span>
+        </span>
       </p>
     </div>
     <div class="largeGap"></div>

psdi_data_conversion/static/content/convertc2x.htm

@@ -7,14 +7,23 @@
 <html>
 
 <head>
+
   <meta name="viewport" content="width=device-width, initial-scale=1.0">
   <title>PSDI Data Conversion Service</title>
   <link rel="icon" type="image/x-icon" href="../img/psdi-icon-dark.svg">
+
   <link href="https://fonts.googleapis.com/css?family=Lato:400" rel="stylesheet" type="text/css">
   <link href="https://fonts.googleapis.com/css?family=Open+Sans+Condensed:700" rel="stylesheet" type="text/css">
+
+  <link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/css/bootstrap.min.css">
+  <script src="https://cdn.jsdelivr.net/npm/jquery@3.7.1/dist/jquery.slim.min.js"></script>
+  <script src="https://cdn.jsdelivr.net/npm/popper.js@1.16.1/dist/umd/popper.min.js"></script>
+  <script src="https://cdn.jsdelivr.net/npm/bootstrap@4.6.2/dist/js/bootstrap.bundle.min.js"></script>
+
+  <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
+
   <link rel="stylesheet" href="../styles/format.css">
   <script src="../javascript/load_accessibility.js"></script>
-  <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.3/jquery.min.js"></script>
   <script src="../javascript/common.js" type="module"></script>
   <script src="../javascript/psdi-common.js" type="module"></script>
 </head>
@@ -43,16 +52,19 @@
       </p>
       <h6 id="heading"></h6>
       <p id="convertFile">
-        <input type="checkbox" checked id="extCheck">Enforce file naming checking to ensure uploaded files (and files
+        <input type="checkbox" checked id="extCheck"> Enforce file naming checking to ensure uploaded files (and files
         contained in archives) all have the correct extension<br>
-        <input type="checkbox" id="requestLog">Also download log file for the conversion<br>
+        <input type="checkbox" id="requestLog"> Also download log file for the conversion<br>
         Select file to convert:
         <br><input type="file" name="fileToUpload" id="fileToUpload"><br>
         If you have sensitive data you might prefer to use
         <a href="download.htm">one of our downloadable tools or Python library</a> rather than uploading your data to
         our service.<br>
-        <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
-          disabled=true>
+        <span class="convert-button-and-spinner">
+          <input type="button" class="button init-disabled" value=" Convert " name="uploadButton" id="uploadButton"
+            disabled=true>
+          <span class="loading-spinner spinner-border"></span>
+        </span>
       </p>
     </div>
     <div class="largeGap"></div>

psdi_data_conversion/static/content/report.htm

@@ -86,7 +86,7 @@
       <div class="smallGap"></div>
       <p>
         To report a missing format or conversion, please use
-        <a href="https://psdidev2.azurewebsites.net/static/content/report.htm?origin=local">the interface on the public
+        <a href="https://data-conversion.psdi.ac.uk/static/content/report.htm?origin=local">the interface on the public
           web app</a>.
       </p>
       <div class="medGap"></div>

psdi_data_conversion/static/javascript/convert_common.js

@@ -58,6 +58,8 @@ export function commonConvertReady(converter) {
 // Converts user-supplied file to another format and downloads the resulting file
 export function convertFile(form_data, download_fname, fname) {
 
+    showSpinner();
+
     let convertTimedOut = false;
 
     var jqXHR = $.ajax({
@@ -68,6 +70,7 @@ export function convertFile(form_data, download_fname, fname) {
         contentType: false,
         timeout: CONVERT_TIMEOUT,
         success: async function () {
+            hideSpinner();
             if (!convertTimedOut) {
                 await downloadFile(`../downloads/${download_fname}`, download_fname)
 
@@ -105,6 +108,7 @@ export function convertFile(form_data, download_fname, fname) {
                 })
         },
         error: function (xmlhttprequest, textstatus, message) {
+            hideSpinner();
             if (textstatus === "timeout") {
                 convertTimedOut = true;
                 alert("ERROR: Conversion attempt timed out. This may be because the conversion is too complicated, " +
@@ -216,7 +220,8 @@ function checkFile(event) {
         if (message !== "")
             message += "\n\n";
         message += "The file exceeds the maximum size limit of " + (max_file_size / MEGABYTE).toFixed(2) +
-            " MB; its size is " + (file.size / MEGABYTE).toFixed(2) + " MB.";
+            " MB; its size is " + (file.size / MEGABYTE).toFixed(2) + " MB. Please either log in for an increased " +
+            "file size limit, or see the Downloads page to run the app locally with no limit.";
         allGood = false;
     }
 
@@ -249,4 +254,19 @@ async function downloadFile(path, filename) {
             a.click();
             a.remove();
         });
+}
+
+
+/**
+ * Show the loading spinner
+ */
+function showSpinner() {
+    $(".loading-spinner").css({ display: "inherit" });
+}
+
+/**
+ * Hide the loading spinner
+ */
+function hideSpinner() {
+    $(".loading-spinner").css({ display: "none" });
 }

psdi_data_conversion/static/styles/format.css

@@ -144,4 +144,23 @@ select#dark-background option {
 
 [production-mode=False] .dev-only {
   display: none;
+}
+
+.footer__hline hr {
+  border-top-style   : none;
+  border-bottom-style: inset;
+  border-bottom-width: 1px;
+}
+
+/* Convert button and loading spinner */
+.convert-button-and-spinner {
+  display       : flex;
+  flex-direction: row;
+  align-items   : center;
+}
+
+.loading-spinner {
+  display: none;
+  color  : var(--ifm-color-primary);
+  scale  : 75%;
 }

{psdi_data_conversion-0.0.32.dist-info → psdi_data_conversion-0.0.35.dist-info}/METADATA

@@ -1,8 +1,8 @@
 Metadata-Version: 2.1
 Name: psdi_data_conversion
-Version: 0.0.32
+Version: 0.0.35
 Summary: Chemistry file format conversion service, provided by PSDI
-Project-URL: Homepage, https://psdidev2.azurewebsites.net/
+Project-URL: Homepage, https://data-conversion.psdi.ac.uk/
 Project-URL: Documentation, https://psdi-uk.github.io/psdi-data-conversion/
 Project-URL: Repository, https://github.com/PSDI-UK/psdi-data-conversion
 Project-URL: Issues, https://github.com/PSDI-UK/psdi-data-conversion/issues
@@ -249,7 +249,7 @@ Version: Pre-release 2024-02-27
 
 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:
 
-- Online web service, available at https://psdidev2.azurewebsites.net
+- Online web service, available at https://data-conversion.psdi.ac.uk/
 - Version of the web app you can download and run locally (e.g. if you need to convert files which exceed the online app's file size limit)
 - Command-line application, to run conversions from a terminal
 - Python library
@@ -319,9 +319,8 @@ This is the repository for the PSDI PF2 Chemistry File Format Conversion project
 - `LICENSE` (Apache Licence version 2.0)
 - `pyproject.toml` (Python project metadata and settings)
 - `README.md` (This file)
-- `requirements.txt` (Requirements for the Azure web app deployment of this project)
+- `requirements.txt` (Requirements for the web app deployment of this project)
 - `run_local.sh` (Helper script to run the web app locally)
-- `startup.sh` (Startup script for the Azure web app)
 
 ## Requirements
 
@@ -567,7 +566,7 @@ The code documentation for the Python library is published online at https://psd
 
 ## Using the Online Conversion Service
 
-Enter https://psdidev2.azurewebsites.net in a browser. Guidance on usage is given on each page of the website.
+Enter https://data-conversion.psdi.ac.uk/ in a browser. Guidance on usage is given on each page of the website.
 
 ## Running the Python/Flask app locally
 

{psdi_data_conversion-0.0.32.dist-info → psdi_data_conversion-0.0.35.dist-info}/RECORD

@@ -22,16 +22,16 @@ psdi_data_conversion/converters/openbabel.py,sha256=L_YN83C3PVpa2r67CKf7RVt_2UY6
 psdi_data_conversion/scripts/atomsk.sh,sha256=N_NMO5q8sI3Lt1TerC-xcKbMI0kfscAudy5UAbY0uR0,804
 psdi_data_conversion/scripts/c2x.sh,sha256=F48jhgtgouKKZDQ9p6tCCNBN5bPuidBq2GcTurdWzQc,770
 psdi_data_conversion/static/content/accessibility.htm,sha256=UMkkVouE_HgkI1gEpCtm-fHSlL40yjkqbkAvOrGUjxQ,14277
-psdi_data_conversion/static/content/convert.htm,sha256=8dev0B8sFyi35R-SWDjhbBN-Y_70Hcfq1-YAguMCP20,6293
-psdi_data_conversion/static/content/convertato.htm,sha256=uwYL9wpHbmIwJewy-5xSLU3H_q2lBSwqubaxkd0BfV0,2765
-psdi_data_conversion/static/content/convertc2x.htm,sha256=LHMOnVDUzFHeSy-tyGLB0izCCs3fBGI1c9SA9YsmNlI,2764
+psdi_data_conversion/static/content/convert.htm,sha256=lDMXZQ3vkMBYLrL57_W1bNNzW5M7EOC9vqL7YnZdHbU,6827
+psdi_data_conversion/static/content/convertato.htm,sha256=WzOEBU6VcY2uS_0eFyUj7nyZJP5U2yqOlvZDmWyDa18,3299
+psdi_data_conversion/static/content/convertc2x.htm,sha256=y9ehRa4lD81zM2FIc7jz2IrfHmOzBqQ2qf24o48HOTs,3299
 psdi_data_conversion/static/content/documentation.htm,sha256=6lDc81OoUmcGp01a_3rxVSHunajBh-09QJZgedBcSFM,5647
 psdi_data_conversion/static/content/download.htm,sha256=kPqCdjS6ssd77BHcCFKxm-QBhD-rpm13dUj4a7z-RY8,4094
 psdi_data_conversion/static/content/feedback.htm,sha256=jFoOI3t1VVchBcQBZGjPaVo2qnHmrvrM7MJjuDylLQg,1878
 psdi_data_conversion/static/content/header-links.html,sha256=7B2bHa7dLfSZ4hPMvVJ3kR0niVAOO3FtHJo0K6m1oP4,693
 psdi_data_conversion/static/content/psdi-common-footer.html,sha256=CM9F6AXM1LVMLvTP51xTzOicEelSXlyXQyN-BjrQAJk,3933
 psdi_data_conversion/static/content/psdi-common-header.html,sha256=I2YXZ92K2nsIAhLSKCA9zJHc5B_QGiB3HAbD0YDCw0g,1742
-psdi_data_conversion/static/content/report.htm,sha256=EUJPEoWv8ctjpTcOo4zTWw7OwS5cVaGO6K6Rjx5pxkA,4530
+psdi_data_conversion/static/content/report.htm,sha256=o0Fn6QgKIEr2KtDoucQ203F3YhHQCIbAnbMvU7ylgh8,4530
 psdi_data_conversion/static/content/index-versions/header-links.html,sha256=WN9oZL7hLtH_yv5PvX3Ky7_YGrNvQL_RQ5eU8DB50Rg,764
 psdi_data_conversion/static/content/index-versions/psdi-common-footer.html,sha256=zzizo_YEPhvH3_jNPFkFoKZA0TnIG6EXzQOsgooU1K8,3989
 psdi_data_conversion/static/content/index-versions/psdi-common-header.html,sha256=FQevMlVaiQ8tRb381El7DYq_9VSNbtpL9EeImDdwDfM,1809
@@ -63,7 +63,7 @@ psdi_data_conversion/static/img/ukri-logo-lighttext.png,sha256=ptIQwIGGdVsO2rTxi
 psdi_data_conversion/static/javascript/accessibility.js,sha256=kbnWHeBNPrTLrnYRjMEUmiOcCXM2bORYIRfzUB03TAE,7208
 psdi_data_conversion/static/javascript/common.js,sha256=eAYSNrvRGx4ep2dIyMk1-J_biDvt-MWtUJNoSBUVXa4,1306
 psdi_data_conversion/static/javascript/convert.js,sha256=BQt4nhTrMDclhrZSMssFsxDU5f1ZyRakmJ1bFvsLjes,9112
-psdi_data_conversion/static/javascript/convert_common.js,sha256=uI-PrISECdHMEIOy7POE2xJFG9NMFjU1CocFo4ZZiy0,8842
+psdi_data_conversion/static/javascript/convert_common.js,sha256=h-_sTdWlkVH0drojgNMonacqRfk33xSTsb-8GhfPwXw,9288
 psdi_data_conversion/static/javascript/convertato.js,sha256=km4BGyeNRoSL8uK6G7Zz0vOw2tO6KElasKR6sReFwGk,3593
 psdi_data_conversion/static/javascript/convertc2x.js,sha256=0tRUU3eugmxlbVl2xXm0gHT1WDGbvlCmwDZw_-Ja-Sk,3588
 psdi_data_conversion/static/javascript/data.js,sha256=davPYzCif_28FRpToQOYsoBgxpy6EMPWnBGQw0xKZrw,6111
@@ -71,7 +71,7 @@ psdi_data_conversion/static/javascript/format.js,sha256=xJM_1U-TETsYULvNr7nTt0MK
 psdi_data_conversion/static/javascript/load_accessibility.js,sha256=jTLfmubEmko2bJ_MKWMkmYxUeBxotozc-0-ua69CYJo,3265
 psdi_data_conversion/static/javascript/psdi-common.js,sha256=I0QqGQ7l_rA4KEfenQTfPc-uOXXp8sxMh_NHL3EkFm4,6231
 psdi_data_conversion/static/javascript/report.js,sha256=RP5EPVo44cTTfAvEdvSBR-zsg6dwqMb1brTukz4Pi4Y,12355
-psdi_data_conversion/static/styles/format.css,sha256=gY20e3SP-Aszpla0NhjfxjkygHxHjYqNe-QcLqS-rkk,2858
+psdi_data_conversion/static/styles/format.css,sha256=eItTL6TSG_DucsYBqiyPednUVXaCXx8GXmQUQ_YZHkE,3207
 psdi_data_conversion/static/styles/psdi-common.css,sha256=gx6h9gnw2ONvCd46QSzg-uLntxfhyoEYkf0P_U0Nhu8,17107
 psdi_data_conversion/templates/index.htm,sha256=HE8YVUAFKey-JS-Z9EN6mdikYA98re5BP_62fLEg9yI,5612
 psdi_data_conversion/testing/__init__.py,sha256=Xku7drtLTYLLPsd403eC0LIEa_iohVifyeyAITy2w7U,135
@@ -79,8 +79,8 @@ psdi_data_conversion/testing/constants.py,sha256=TnUtsNmlFSzBrCWrCOp0TfKz33s8Oxz
 psdi_data_conversion/testing/conversion_callbacks.py,sha256=oSq93JdTz7KvLVirq_Ibaglg1ZxzuoKuWMv9DS2ykgs,18709
 psdi_data_conversion/testing/conversion_test_specs.py,sha256=bJxCDS-qq9M2_v22V6qJ4ZNHR9nOHcBsHzXMle91ejs,14795
 psdi_data_conversion/testing/utils.py,sha256=1QHd-bwc04SzqvwkV9Bhmm8Zi4ARoQE4jaECaTvaGAU,22601
-psdi_data_conversion-0.0.32.dist-info/METADATA,sha256=5W3s0lLZf-YsBZj42wGj7oxUQxyHC_PV29IuGXueqs4,36493
-psdi_data_conversion-0.0.32.dist-info/WHEEL,sha256=TJPnKdtrSue7xZ_AVGkp9YXcvDrobsjBds1du3Nx6dc,87
-psdi_data_conversion-0.0.32.dist-info/entry_points.txt,sha256=o5y9mx-xX_koYtoAEB4acBG8lUkmhu8TlJhYD7axDS0,69
-psdi_data_conversion-0.0.32.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
-psdi_data_conversion-0.0.32.dist-info/RECORD,,
+psdi_data_conversion-0.0.35.dist-info/METADATA,sha256=RWmDNsk8UqhorFVTHDdBiT0s9IwBpCknEGa4vO1Se20,36435
+psdi_data_conversion-0.0.35.dist-info/WHEEL,sha256=TJPnKdtrSue7xZ_AVGkp9YXcvDrobsjBds1du3Nx6dc,87
+psdi_data_conversion-0.0.35.dist-info/entry_points.txt,sha256=o5y9mx-xX_koYtoAEB4acBG8lUkmhu8TlJhYD7axDS0,69
+psdi_data_conversion-0.0.35.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
+psdi_data_conversion-0.0.35.dist-info/RECORD,,