Update to version 0.2.1

1. changed to new plugin icon
2. fixed an error in the regex pattern
3. showOrcaOutline and replaceKeywords are changed to async functions to accelerate the processing speed
4. the parseOrcaFile function is optimized for handing very big orca output files (<50MB). The buffer structure is optimized. The progress of parsing will be showed as a message in VS Code
5. additional error message is added.

Author: liqunkang

CHANGELOG.md

@@ -23,3 +23,12 @@ Check [Keep a Changelog](http://keepachangelog.com/) for recommendations on how
 ## [0.2.0] - 2023-10-15
 
 - This version removed the previous `generate_patterns.py` script and the `headings.md` file. The list of regular expressions in `patterns.json` file is now more unversal and the matched text is displayed in the `ORCA FILE OUTLINE` view. Most of the keywords in the ORCA output file are in full capital letters, which is not very user friendly. The matched text is now converted to title case before being displayed in the `ORCA FILE OUTLINE` view. There is a list of keywords in the `keywords.json` file, which will be used to replace some of the converted matched text to its correct form. The list of keywords will be updated in future small releases.
+
+## [0.2.1] - 2023-10-16
+
+- changed to new plugin icon
+- fixed an error in the regex pattern
+- showOrcaOutline and replaceKeywords are changed to async functions to accelerate the processing speed
+- the parseOrcaFile function is optimized for handing very big orca output files (<50MB). The buffer structure is optimized. The progress of parsing will be showed as a message in VS Code
+- additional error message is added
+

README.md

@@ -12,43 +12,26 @@ N/A
 
 ## Extension Settings
 
-The current version (0.2.0) of this extension does not have any settings.
+The current version (0.2.1) of this extension does not have any settings.
 
-## Known Issues
+## Issues and Important Notes
 
-1. The TOC view will not automatically update when you save changes to the ORCA output file. You will need to manually run the command `Refresh Orca Outline` from the command palette. This will be fixed in a future release.
+- Due to the memory limit of VS Code for large files, the extension will not work properly for very large ORCA output files (>50MB) because VS code will disable the `activeEditor`. To parse very large ORCA output files and generate the TOC view, the extension will need to be run in a separate process. This will be implemented in a future release. Currently, the extension will work for ORCA output files that are less than 50MB in size. If you have very large ORCA output files, please consider splitting them into smaller chunks or remove the parts that are not needed (for example full print of the MOs).
 
-## Release Notes
-
-Users appreciate release notes as you update your extension.
-
-### 0.0.1
-
-Initial release of orcatoc. This is a very early release and is still under development.
-
----
-
-### 0.0.2
+- If you don's see the `ORCA FILE OUTLINE` in the sidebar of `EXPLORER`, please make sure that the `OPEN EDITORS` drop down menu is expanded. This is a known issue and will be fixed in a future release.
 
-Added support for automatically showing TOC view when opening an ORCA output file.
-
-`headings.md` file added to the extension. This file contains a list of regular expressions that are used to parse the ORCA output file. The list of regular expressions will be updated in future releases.
-
-`generate_patterns.py` script added to the extension. This script is used to parse the `headings.md` file and generate the `patterns.json` file. The `patterns.json` file is used by the extension to parse the ORCA output file.
-
----
-
-### 0.1.0
+## Release Notes
 
-Update of `patterns.json` file and `headings.md` file. Additional regular expressions added to the list used to parse the ORCA output file. Most frequently used keywords in the ORCA output file are now parsed. The list of regular expressions will be updated in future releases.
+For detailed release notes, please see [CHANGELOG.md](CHANGELOG.md).
 
-### 0.2.0
+### 0.2.1
 
-This version removed the previous `generate_patterns.py` script and the `headings.md` file. The list of regular expressions in `patterns.json` file is now more unversal and the matched text is displayed in the `ORCA FILE OUTLINE` view. Most of the keywords in the ORCA output file are in full capital letters, which is not very user friendly. The matched text is now converted to title case before being displayed in the `ORCA FILE OUTLINE` view. There is a list of keywords in the `keywords.json` file, which will be used to replace some of the converted matched text to its correct form. The list of keywords will be updated in future small releases.
+Bug fixes and optimizations.
 
 ## TODO
 
 - [x] Automatically show TOC view when opening an ORCA output file
+- [X] Support for large ORCA output files (<50MB).
 - [ ] Automatically update TOC view when saving changes to an ORCA output file (additional command to manually refresh TOC view)
 - [ ] Add support for enabling/disabling TOC view for specific file types
 - [ ] Add support for controlling the showing level of TOC entries

extension.js

@@ -50,6 +50,7 @@ class OrcaOutlineProvider {
 			});
 		} else {
 			// If there's no element, return the top-level matches
+            console.log(typeof this._matches, this._matches);
 			return this._matches.map(match => {
 				return {
 					label: `${match.title} (Line ${match.line + 1})`,
@@ -82,28 +83,48 @@ class OrcaOutlineProvider {
 
 let orcaOutlineProvider = new OrcaOutlineProvider([]);
 
-function showOrcaOutline() {
+async function showOrcaOutline() {  // Make the function asynchronous
     const activeEditor = vscode.window.activeTextEditor;
     if (!activeEditor) {
-        vscode.window.showErrorMessage("No active document found. Please open a file first.");
+        // Check if there's a file with .out extension in the workspace
+        if (vscode.workspace.textDocuments.some(doc => doc.uri.scheme === 'file' && doc.fileName.endsWith('.out'))) {
+            vscode.window.showErrorMessage("The file might be too large to open! VS Code is unable to operate with files larger than 50MB in active editor. Please consider breaking the file into smaller chunks.");
+        } else {
+            // If there's no file with .out extension in the workspace, show an error message, and Open File button to open the Open File dialog
+            vscode.window.showErrorMessage("No active document found. Please open a file first.", "Open File").then((value) => {
+                if (value === "Open File") {
+                    vscode.commands.executeCommand("workbench.action.files.openFile");
+                }
+            });
+        }
         return;
     }
 
     const document = activeEditor.document;
-    if (document.languageId !== 'orcaOut' || !document.fileName.endsWith('.out')) {
-        // Check if the active document is an ORCA file (.out)
-        vscode.window.showErrorMessage("The active document is not an ORCA file.");
-        return;
-    }
+    try {
+        if (document.languageId !== 'orcaOut' || !document.fileName.endsWith('.out')) {
+            // Check if the active document is an ORCA file (.out)
+            vscode.window.showErrorMessage("The active document is not an ORCA file.");
+            return;
+        }
 
-    const matches = parseOrcaFile(document, document.uri.fsPath);  // Pass the file path to the function
-    orcaOutlineProvider.update(matches, document.uri.fsPath);  // Update the global instance of the provider
+        // Maybe handle non-UTF-8 characters here, normalize or clean up the document text
 
-	//console.log(matches);  // This will print matches in the debug console
-	//orcaOutlineProvider.update(matches, document.uri.fsPath);
+        const matches = await parseOrcaFile(document, document.uri.fsPath);  // Wait for the promise to resolve
 
-}
+        // Apply keyword replacements to the matches
+        await replaceKeywords(matches);  // Wait for the promise to resolve
+
+        orcaOutlineProvider.update(matches, document.uri.fsPath);  // Update the global instance of the provider
 
+        // The keyword replacement seems to be commented out, but if you decide to use it again, make sure to await it as well
+        // await replaceKeywords(matches);  
+        // orcaOutlineProvider.update(matches, document.uri.fsPath);
+
+    } catch (error) {
+        vscode.window.showErrorMessage(`Error processing the file: ${error.message}`);
+    }
+}
 
 function activate(context) {
     context.subscriptions.push(vscode.commands.registerCommand('extension.showOrcaOutline', showOrcaOutline));
@@ -131,62 +152,91 @@ function toTitleCase(str) {
     });
 }
 
+
 function parseOrcaFile(document, filePath) {
     let matches = [];
-    let stack = [{ children: matches }];  // A default root node for ease of algorithm
-
-    // First, get all the matches in order.
-    let allMatches = [];
-    orcaPatterns.forEach(pattern => {
-        let match;
-        while (match = pattern.regex.exec(document.getText())) {
-            const line = document.positionAt(match.index).line;
-            let title = match[1] || pattern.title;
-            title = toTitleCase(title.trim());
-            for (let keyword in keywordReplacements) {
-                if (title.includes(keyword)) {
-                    title = title.replace(keyword, keywordReplacements[keyword]);
+    let stack = [{ children: matches }];
+
+    return vscode.window.withProgress({
+        location: vscode.ProgressLocation.Notification,
+        title: "Parsing ORCA File",
+        cancellable: true
+    }, (progress, token) => {
+        return new Promise((resolve, reject) => {
+            let buffer = document.getText();
+
+            let allMatches = [];
+            let totalPatterns = orcaPatterns.length;
+            orcaPatterns.forEach((pattern, index) => {
+                let match;
+                while (match = pattern.regex.exec(buffer)) {
+                    const line = document.positionAt(match.index).line;
+                    let title = match[1] || pattern.title;
+                    title = toTitleCase(title.trim());
+
+                    // Replace keywords in the title
+                    //for (let keyword in keywordReplacements) {
+                    //    if (title.includes(keyword)) {
+                    //        title = title.replace(keyword, keywordReplacements[keyword]);
+                    //    }
+                    // }
+
+                    allMatches.push({
+                        line: line,
+                        title: title,
+                        level: pattern.level,
+                        children: [],
+                        command: {
+                            command: 'vscode.open',
+                            arguments: [vscode.Uri.file(filePath), {
+                                selection: new vscode.Range(line, 0, line, 0)
+                            }],
+                            title: 'Open File'
+                        },
+                        tooltip: `${pattern.title} (Line ${line + 1})`
+                    });
                 }
-            }
-            allMatches.push({
-                line: line,
-                title: title,
-                level: pattern.level,
-                children: [],
-                command: {
-                    command: 'vscode.open',
-                    arguments: [vscode.Uri.file(filePath), {
-                        selection: new vscode.Range(line, 0, line, 0)
-                    }],
-                    title: 'Open File'
-                },
-                tooltip: `${pattern.title} (Line ${line + 1})`
-            });
-        }
-    });
 
-    // Sort allMatches by line number
-    allMatches.sort((a, b) => a.line - b.line);
+                progress.report({ message: `Processing Pattern ${index + 1} of ${totalPatterns}`, increment: (100 / totalPatterns) });
+                
+                if (token.isCancellationRequested) {
+                    reject("Operation was cancelled by the user.");
+                }
+            });
 
-    // Populate the tree based on sorted matches
-    allMatches.forEach(matchItem => {
-        // Pop items from the stack until we reach the parent of the current matchItem
-        while (stack.length > matchItem.level) {
-            stack.pop();
-        }
+            allMatches.sort((a, b) => a.line - b.line);
 
-        // Add the current matchItem as a child to the top item on the stack
-        stack[stack.length - 1].children.push(matchItem);
+            allMatches.forEach(matchItem => {
+                while (stack.length > matchItem.level) {
+                    stack.pop();
+                }
 
-        // Push the current matchItem onto the stack to become the new potential parent
-        stack.push(matchItem);
+                stack[stack.length - 1].children.push(matchItem);
+                stack.push(matchItem);
+            });
 
+            resolve(matches);
+        });
     });
+}
 
 
-    return matches;
+
+
+async function replaceKeywords(matches) {
+    for (let match of matches) {
+        for (let keyword in keywordReplacements) {
+            if (match.title.includes(keyword)) {
+                match.title = match.title.replace(keyword, keywordReplacements[keyword]);
+            }
+        }
+        if (match.children) {
+            await replaceKeywords(match.children);  // Recursive replacement for child nodes
+        }
+    }
 }
 
+
 module.exports = {
     activate,
     deactivate

package.json

@@ -2,7 +2,7 @@
   "name": "orcatoc",
   "displayName": "orca_toc",
   "description": "Provides an outline for ORCA files in the VS Code sidebar.",
-  "version": "0.2.0",
+  "version": "0.2.1",
   "engines": {
     "vscode": "^1.82.0"
   },
@@ -25,8 +25,8 @@
         "explorer": [
             {
                 "id": "orcaFileOutline",
-                "name": "ORCA File Outline",
-                "when": "resourceExtname == .out"
+                "name": "ORCA FILE OUTLINE",
+                "when": "resourceExtname =~ /.out$/"
             }
         ]
     },
@@ -59,5 +59,5 @@
   },
   "license": "GPL-3.0",
   "publisher": "liqunKang",
-  "icon": "images/orca_TOC.png"
+  "icon": "images/orca_TOC_new.png"
 }

patterns.json

@@ -8,7 +8,7 @@
         "level": 2
     },
     {
-        "regex": "^\\-+\\n\\s+([^\\n\\s]+)\\n\\-+",
+        "regex": "^\\-+\\n\\s+([^\\n]+)\\n\\-+",
         "level": 3
     },
     {