push new db or demo version

dump.rdb

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:4ca3d33b2de6c4119d3f100efdb3c0f43431320df29923e22a4112a01a89cccb
+oid sha256:edb6dac953afd60f97f39ca1a77dfb3cc323e573cbfd6b6ed768d6d637613898
 size 2454945

src/constants.py

@@ -14,7 +14,7 @@ HNSW_PARAMETERS = {
     # Defines the initial capacity of the vector index. It helps in pre-allocating space for the index.
     "INITIAL_CAP": 440,
     # Max number of outgoing edges (connections) for each node in a graph layer.
-    "M": 128,
+    "M": 256,
     # Max number of connected neighbors to consider during graph building.
     # Higher values increase accuracy, but also increase index build time.
     "EF_CONSTRUCTION": 4096,

src/static/main.js

@@ -101,6 +101,9 @@ function handleJSMEStructureChange(event) {
  */
 function getJsmeGuiScale() {
   const width = getJsmeContainerWidthNumber();
+  if (width == null || width <= 0) {
+    return 1;
+  }
   let menuScale;
   if (width > 460) {
     menuScale = 1.3;
@@ -136,10 +139,7 @@ function getJsmeContainerWidthPx() {
  */
 function getJsmeContainerWidthNumber() {
   const container = document.getElementById("jsme_container");
-  if (!container) {
-    return null;
-  }
-  return container.parentNode.offsetWidth;
+  return container?.parentNode?.offsetWidth;
 }
 
 // ============================================================================
@@ -154,8 +154,7 @@ function getJsmeContainerWidthNumber() {
 function updateGradioTextbox(smiles) {
   try {
     const textbox = document.querySelector(SMILES_INPUT_SELECTOR);
-
-    if (!textbox || textbox.value === smiles) {
+    if (textbox?.value === smiles) {
       return;
     }
 
@@ -184,15 +183,11 @@ function updateGradioTextbox(smiles) {
  * @param {string} smiles - The SMILES string to display in JSME
  */
 function updateJSMEFromTextbox(smiles) {
-  if (!jsmeApplet) {
-    return;
-  }
-
   try {
-    if (smiles && smiles.trim() !== "") {
-      jsmeApplet.readGenericMolecularInput(smiles.trim());
+    if (smiles?.trim() !== "") {
+      jsmeApplet?.readGenericMolecularInput(smiles.trim());
     } else {
-      jsmeApplet.reset();
+      jsmeApplet?.reset();
     }
     lastTextboxValue = smiles;
   } catch (error) {
@@ -243,13 +238,9 @@ function handleTextboxPaste(event) {
  * Handles window resize events and updates JSME applet width
  */
 function handleResize() {
-  if (!jsmeApplet) {
-    return;
-  }
-
   try {
-    jsmeApplet.setMenuScale(getJsmeGuiScale());
-    jsmeApplet.setWidth(getJsmeContainerWidthPx());
+    jsmeApplet?.setMenuScale(getJsmeGuiScale());
+    jsmeApplet?.setWidth(getJsmeContainerWidthPx());
   } catch (error) {
     console.error("Error resizing JSME applet:", error);
   }
@@ -266,10 +257,7 @@ function handleResize() {
  * @public
  */
 window.setJSMESmiles = function (smiles) {
-  if (jsmeApplet) {
-    updateJSMEFromTextbox(smiles);
-  }
-
+  updateJSMEFromTextbox(smiles);
   updateGradioTextbox(smiles);
   return smiles;
 };
@@ -280,10 +268,7 @@ window.setJSMESmiles = function (smiles) {
  * @public
  */
 window.clearJSME = function () {
-  if (jsmeApplet) {
-    jsmeApplet.reset();
-  }
-
+  jsmeApplet?.reset();
   updateGradioTextbox("");
   return ["", [], [], "Cleared - Draw a new molecule or enter SMILES"];
 };

src/static/main.min.js

@@ -1 +1 @@
-function initializeJSME(){try{(jsmeApplet=new JSApplet.JSME("jsme_container",getJsmeContainerWidthPx(),CONTAINER_HEIGHT,{options:"NOcanonize,rButton,zoom,zoomgui,newLook,star,multipart,polarnitro,NOexportInChI,NOexportInChIkey,NOsearchInChIkey,NOexportSVG,NOpaste"})).setCallBack("AfterStructureModified",handleJSMEStructureChange),jsmeApplet.setMenuScale(getJsmeGuiScale()),jsmeApplet.setUserInterfaceBackgroundColor("#adadad"),jsmeApplet.readGenericMolecularInput(DEFAULT_SMILES),lastTextboxValue=DEFAULT_SMILES,setupTextboxEventListeners(),window.addEventListener("resize",handleResize)}catch(e){throw e}}function handleJSMEStructureChange(){try{updateGradioTextbox(jsmeApplet.smiles())}catch(e){}}function getJsmeGuiScale(){const e=getJsmeContainerWidthNumber();return e>460?1.3:e>420?1.1:e>370?1.05:e>300?.88:2}function getJsmeContainerWidthPx(){const e=getJsmeContainerWidthNumber();return null==e||e<=0?"100%":`${e}px`}function getJsmeContainerWidthNumber(){const e=document.getElementById("jsme_container");return e?e.parentNode.offsetWidth:null}function updateGradioTextbox(e){try{const t=document.querySelector(SMILES_INPUT_SELECTOR);if(!t||t.value===e)return;t.value=e,lastTextboxValue=e,GRADIO_CHANGE_EVENTS.forEach(e=>{const n=new Event(e,{bubbles:!0,cancelable:!0});t.dispatchEvent(n)})}catch(e){}}function updateJSMEFromTextbox(e){if(jsmeApplet)try{e&&""!==e.trim()?jsmeApplet.readGenericMolecularInput(e.trim()):jsmeApplet.reset(),lastTextboxValue=e}catch(e){}}function setupTextboxEventListeners(){const e=document.querySelector(SMILES_INPUT_SELECTOR);e&&(e.addEventListener("input",handleTextboxChange),e.addEventListener("change",handleTextboxChange),e.addEventListener("paste",handleTextboxPaste),e.addEventListener("keyup",handleTextboxChange))}function handleTextboxChange(e){e.target.value!==lastTextboxValue&&updateJSMEFromTextbox(e.target.value)}function handleTextboxPaste(e){setTimeout(()=>{updateJSMEFromTextbox(e.target.value)},PASTE_DELAY)}function handleResize(){if(jsmeApplet)try{jsmeApplet.setMenuScale(getJsmeGuiScale()),jsmeApplet.setWidth(getJsmeContainerWidthPx())}catch(e){}}function initializeWhenReady(){"undefined"!=typeof JSApplet&&JSApplet.JSME?initializeJSME():setTimeout(initializeWhenReady,INIT_RETRY_DELAY)}function startInitialization(){"loading"===document.readyState?document.addEventListener("DOMContentLoaded",()=>{setTimeout(initializeWhenReady,INIT_RETRY_DELAY)}):setTimeout(initializeWhenReady,INIT_RETRY_DELAY)}let jsmeApplet=null,lastTextboxValue="";const DEFAULT_SMILES="CCO",CONTAINER_HEIGHT="450px",SMILES_INPUT_SELECTOR="#smiles_input textarea, #smiles_input input",PASTE_DELAY=50,INIT_RETRY_DELAY=2e3,GRADIO_CHANGE_EVENTS=["input","change","keyup"];window.setJSMESmiles=function(e){return jsmeApplet&&updateJSMEFromTextbox(e),updateGradioTextbox(e),e},window.clearJSME=function(){return jsmeApplet&&jsmeApplet.reset(),updateGradioTextbox(""),["",[],[],"Cleared - Draw a new molecule or enter SMILES"]},startInitialization();
+function initializeJSME(){try{jsmeApplet=new JSApplet.JSME("jsme_container",getJsmeContainerWidthPx(),"450px",{options:"NOcanonize,rButton,zoom,zoomgui,newLook,star,multipart,polarnitro,NOexportInChI,NOexportInChIkey,NOsearchInChIkey,NOexportSVG,NOpaste"}),jsmeApplet.setCallBack("AfterStructureModified",handleJSMEStructureChange),jsmeApplet.setMenuScale(getJsmeGuiScale()),jsmeApplet.setUserInterfaceBackgroundColor("#adadad"),jsmeApplet.readGenericMolecularInput("CCO"),lastTextboxValue="CCO",setupTextboxEventListeners(),window.addEventListener("resize",handleResize)}catch(e){throw e}}function handleJSMEStructureChange(){try{updateGradioTextbox(jsmeApplet.smiles())}catch(e){}}function getJsmeGuiScale(){const e=getJsmeContainerWidthNumber();if(null==e||e<=0)return 1;let t;return t=e>460?1.3:e>420?1.1:e>370?1.05:e>300?.88:2,t}function getJsmeContainerWidthPx(){const e=getJsmeContainerWidthNumber();return null==e||e<=0?"100%":`${e}px`}function getJsmeContainerWidthNumber(){const e=document.getElementById("jsme_container");return e?.parentNode?.offsetWidth}function updateGradioTextbox(e){try{const t=document.querySelector(SMILES_INPUT_SELECTOR);if(t?.value===e)return;t.value=e,lastTextboxValue=e,GRADIO_CHANGE_EVENTS.forEach((e=>{const n=new Event(e,{bubbles:!0,cancelable:!0});t.dispatchEvent(n)}))}catch(e){}}function updateJSMEFromTextbox(e){try{""!==e?.trim()?jsmeApplet?.readGenericMolecularInput(e.trim()):jsmeApplet?.reset(),lastTextboxValue=e}catch(e){}}function setupTextboxEventListeners(){const e=document.querySelector(SMILES_INPUT_SELECTOR);e&&(e.addEventListener("input",handleTextboxChange),e.addEventListener("change",handleTextboxChange),e.addEventListener("paste",handleTextboxPaste),e.addEventListener("keyup",handleTextboxChange))}function handleTextboxChange(e){e.target.value!==lastTextboxValue&&updateJSMEFromTextbox(e.target.value)}function handleTextboxPaste(e){setTimeout((()=>{updateJSMEFromTextbox(e.target.value)}),50)}function handleResize(){try{jsmeApplet?.setMenuScale(getJsmeGuiScale()),jsmeApplet?.setWidth(getJsmeContainerWidthPx())}catch(e){}}function initializeWhenReady(){"undefined"!=typeof JSApplet&&JSApplet.JSME?initializeJSME():setTimeout(initializeWhenReady,2e3)}function startInitialization(){"loading"===document.readyState?document.addEventListener("DOMContentLoaded",(()=>{setTimeout(initializeWhenReady,2e3)})):setTimeout(initializeWhenReady,2e3)}let jsmeApplet=null,lastTextboxValue="";const DEFAULT_SMILES="CCO",CONTAINER_HEIGHT="450px",SMILES_INPUT_SELECTOR="#smiles_input textarea, #smiles_input input",PASTE_DELAY=50,INIT_RETRY_DELAY=2e3,GRADIO_CHANGE_EVENTS=["input","change","keyup"];window.setJSMESmiles=function(e){return updateJSMEFromTextbox(e),updateGradioTextbox(e),e},window.clearJSME=function(){return jsmeApplet?.reset(),updateGradioTextbox(""),["",[],[],"Cleared - Draw a new molecule or enter SMILES"]},startInitialization();