Merge pull request #2 from scemama/master

Fast loading time

.github/workflows/gh-pages.yml

@@ -0,0 +1,31 @@
+name: github pages
+
+on:
+  push:
+    branches:
+      - main
+
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v2
+
+      - name: refresh apt
+        run: sudo apt-get update
+
+      - name: install dependencies
+        run: sudo apt-get install hugo
+
+      - name: install theme
+        run: git submodule update --init --recursive
+
+      - name: make
+        run: make
+
+      - name: Deploy
+        uses: peaceiris/actions-gh-pages@v3
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: ./public
+

content/dataset.html

@@ -101,16 +101,18 @@ draft: false
     await loadFiles()
   }
   async function loadFiles() {
+    const db = await indexDB.loadAsync()                                                        
+    const data = await loadAllData()
     processingIndicator.isActive = true
-    var data = await loadAllData()
+
     window.defaultDats = []
     for (const sub of Object.values(data)) {
       for (const exSet of uniq(sub.map(d => d.set))) {
         const subset = sub.filter(d => d.set.isSameSet(exSet))
         for (mol of uniq(subset.map(d => d.molecule))) {
           const submol = subset.filter(d => d.molecule === mol)
-          const source = await submol.findAsync(async (d) => {
-            if (await d.set.getDOIAsync() === "10.1021/acs.jctc.8b01205") {
+          const source = submol.find((d) => {
+            if (db.sets.get(d.set.name)[d.set.index] === "10.1021/acs.jctc.8b01205") {
               return d.method.name === "CASPT2" && d.method.basis === "aug-cc-pVDZ"
             } else {
               return d.method.isTBE

static/js/GeometriesLoader.js

@@ -6,11 +6,11 @@ class GeometriesLoader{
       const myset=item.set.split("#").join("")
       try {
         const mol=await Geometry.loadXYZAsync(`/${myset}/${mymol}.xyz`)
-        xyzs.push(mol)  
+        xyzs.push(mol)
       } catch (error) {
         console.error("Geometry not found",item)
-      } 
+      }
     }
     return xyzs.flat()
   }
-}
+}

static/js/Geometry.js

@@ -6,9 +6,8 @@ class Geometry {
   static async loadXYZAsync(file) {
     switch (trueTypeOf(file)) {
       case String.name:
-        file = getFullDataPath("/structures/"+file)
-        const maxAge= (DebugMode.Enabled,0,600)
-        var str = await getTextFromFileUrlAsync(file,{"Cache-Control":`max-age=${maxAge}`})
+        file = getFullDataPath("structures"+file)
+        var str = getTextFromFileUrl(file)
         break;
       case File.name:
         var str = await getTextFromUploadedFileAsync(file)
@@ -33,4 +32,4 @@ class Geometry {
     }
     return geoms
   }
-}
+}

static/js/data.js

@@ -261,17 +261,20 @@ class dataFileBase {
     })
   }
   CopyExcitationsTypeFrom(data) {
+    var exc_strings = data.excitations.map( e => [e, JSON.stringify(e.initial), JSON.stringify(e.final) ] )
     for (const ex of this.excitations) {
-      const ex2 = data.excitations.find((e) => {
-        return (JSON.stringify(e.initial) === JSON.stringify(ex.initial)) && (JSON.stringify(e.final) === JSON.stringify(ex.final))
+      const exi = JSON.stringify(ex.initial)
+      const exf = JSON.stringify(ex.final)
+      const ex2 = exc_strings.find((e) => {
+        return (e[1]=== exi) && (e[2]=== exf)
       })
       if (ex2 !== undefined) {
         if (DebugMode.Enabled) {
-          const restflag=ex.type.Value & ex2.type.Value
+          const restflag=ex.type.Value & ex2[0].type.Value
           const result=restflag==ex.type.Value
-          console.assert(result, "Excitation type error", data.molecule, ex, ex2, this.sourceFile)
+          console.assert(result, "Excitation type error", data.molecule, ex, ex2[0], this.sourceFile)
         }
-        ex.type = ex2.type
+        ex.type = ex2[0].type
       }
     }
   }
@@ -279,9 +282,9 @@ class dataFileBase {
     switch (trueTypeOf(file)) {
       case String.name:
         file = getFullDataPath(file)
-        const maxAge= (DebugMode.Enabled,0,600)
+        // const maxAge= (DebugMode.Enabled,0,600)
         // var str = await getTextFromFileUrlAsync(file,{"Cache-Control":`max-age=${maxAge}`})
-        var str = await getTextFromFileUrl(file)
+        var str = getTextFromFileUrl(file)
         break;
       case File.name:
         var str = await getTextFromUploadedFileAsync(file)
@@ -291,6 +294,20 @@ class dataFileBase {
     dat.sourceFile = new websiteFile(file)
     return dat
   }
+  static load(file, kind = undefined) {
+    switch (trueTypeOf(file)) {
+      case String.name:
+        file = getFullDataPath(file)
+        var str = getTextFromFileUrl(file)
+        break;
+      case File.name:
+        var str = (async () => await getTextFromUploadedFileAsync(file))().then(x=>x)
+        break
+    }
+    var dat = this.loadString(str, kind);
+    dat.sourceFile = new websiteFile(file)
+    return dat
+  }
   _OnReadMetaPair(key, value) {
     switch (key) {
       case "molecule":

static/js/loadAllData.js

@@ -4,10 +4,10 @@ async function loadAllData() {
     fluo: [],
   };
   for (const f of getAbsFilesName()) {
-    dic.abs.push(await VertDataFile.loadAsync(f,VertExcitationKinds.Absorbtion))
+    dic.abs.push(VertDataFile.load(f,VertExcitationKinds.Absorbtion))
   }
   for (const f of getFluoFilesName()) {
-    dic.fluo.push(await VertDataFile.loadAsync(f,VertExcitationKinds.Fluorescence))
+    dic.fluo.push(VertDataFile.load(f,VertExcitationKinds.Fluorescence))
   }
   return dic;
 }

static/js/uniq.js

@@ -1,8 +1,11 @@
 function uniq(array)
 {
-  return uniqueArray = array.filter((obj1,index) => {
-    return index === array.findIndex(obj2 => {
-      return JSON.stringify(obj1) === JSON.stringify(obj2);
-    });
-  });
-}
+   if (array.length == 0) return [];
+   const sortedArray = array.sort().map( x => [x, JSON.stringify(x)] );
+   var uniqueArray = [ sortedArray[0][0] ];
+   for (let i=1 ; i<sortedArray.length ; i++) {
+     if ( sortedArray[i][1] != sortedArray[i-1][1])
+       uniqueArray.push(sortedArray[i][0])
+   }
+   return uniqueArray;
+}