| import { useState, useEffect, useRef } from "react"; |
| import { AlertCircle, Check, ClipboardCopy, Info, Pencil, RefreshCw, X } from "lucide-react"; |
| import { Button } from "@/components/ui/button"; |
| import { Input } from "@/components/ui/input"; |
| import { useKetcherEditor } from "@/hooks/useKetcherEditor"; |
|
|
| |
| const FADE_IN_STYLE_ID = "structuredraw-fadein"; |
| if (typeof document !== "undefined" && !document.getElementById(FADE_IN_STYLE_ID)) { |
| const styleSheet = document.createElement("style"); |
| styleSheet.id = FADE_IN_STYLE_ID; |
| styleSheet.textContent = ` |
| @keyframes fadeIn { |
| from { opacity: 0; transform: translateY(10px); } |
| to { opacity: 1; transform: translateY(0); } |
| } |
| .animate-fadeIn { |
| animation: fadeIn 0.5s ease-out forwards; |
| }`; |
| document.head.appendChild(styleSheet); |
| } |
|
|
| const StructureDrawView = () => { |
| const [smiles, setSmiles] = useState(""); |
| const [inputSmiles, setInputSmiles] = useState(""); |
| const [copySuccess, setCopySuccess] = useState(false); |
| const [showCopyModal, setShowCopyModal] = useState(false); |
| const [copyModalText, setCopyModalText] = useState(""); |
| const [error, setError] = useState(null); |
| const [isLoading, setIsLoading] = useState(false); |
| const copyTextRef = useRef(null); |
|
|
| const { ketcherFrame, isEditorReady, executeCommand, resetEditor } = useKetcherEditor(); |
|
|
| |
| const examples = [ |
| { name: "Ethanol", value: "CCO", description: "Alcohol" }, |
| { |
| name: "Aspirin", |
| value: "CC(=O)OC1=CC=CC=C1C(=O)O", |
| description: "Pain reliever", |
| }, |
| { |
| name: "Caffeine", |
| value: "CN1C=NC2=C1C(=O)N(C)C(=O)N2C", |
| description: "Stimulant", |
| }, |
| { |
| name: "Ibuprofen", |
| value: "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", |
| description: "Anti-inflammatory", |
| }, |
| ]; |
|
|
| |
| useEffect(() => { |
| if (error) setError(null); |
| }, [inputSmiles, error]); |
|
|
| |
| useEffect(() => { |
| if (showCopyModal && copyTextRef.current) { |
| copyTextRef.current.select(); |
| } |
| }, [showCopyModal]); |
|
|
| |
| const copyToClipboard = async (text = null) => { |
| const textToCopy = text || smiles; |
|
|
| if (!textToCopy) { |
| setError("No SMILES to copy. Generate SMILES first."); |
| return; |
| } |
|
|
| |
| try { |
| |
| if (navigator.clipboard && navigator.clipboard.writeText) { |
| await navigator.clipboard.writeText(textToCopy); |
| setCopySuccess(true); |
| setTimeout(() => setCopySuccess(false), 2000); |
| return; |
| } |
|
|
| |
| const textArea = document.createElement("textarea"); |
| textArea.value = textToCopy; |
|
|
| |
| textArea.style.position = "fixed"; |
| textArea.style.left = "-999999px"; |
| textArea.style.top = "-999999px"; |
| document.body.appendChild(textArea); |
|
|
| |
| textArea.focus(); |
| textArea.select(); |
|
|
| const successful = document.execCommand("copy"); |
| document.body.removeChild(textArea); |
|
|
| if (successful) { |
| setCopySuccess(true); |
| setTimeout(() => setCopySuccess(false), 2000); |
| return; |
| } else { |
| throw new Error("execCommand copy failed"); |
| } |
| } catch (err) { |
| console.error("Failed to copy text:", err); |
|
|
| |
| setCopyModalText(textToCopy); |
| setShowCopyModal(true); |
| } |
| }; |
|
|
| |
| const loadSmiles = async () => { |
| if (!inputSmiles.trim()) { |
| setError("Please enter a SMILES string"); |
| return; |
| } |
|
|
| if (!isEditorReady) { |
| setError("Editor not ready. Please try again in a moment."); |
| return; |
| } |
|
|
| setIsLoading(true); |
| setError(null); |
|
|
| try { |
| |
| await executeCommand("setMolecule", [inputSmiles]); |
| setSmiles(inputSmiles); |
| } catch (err) { |
| console.error("Failed to load SMILES:", err); |
| setError("Invalid SMILES string or error loading structure. Please check your input."); |
| } finally { |
| setIsLoading(false); |
| } |
| }; |
|
|
| |
| const getSmiles = async () => { |
| if (!isEditorReady) { |
| setError("Editor not ready. Please try again in a moment."); |
| return ""; |
| } |
|
|
| setIsLoading(true); |
| setError(null); |
|
|
| try { |
| |
| const newSmiles = await executeCommand("getSmiles"); |
|
|
| if (!newSmiles || newSmiles === "") { |
| setError("No structure drawn. Please draw a molecule first."); |
| setIsLoading(false); |
| return ""; |
| } |
|
|
| setSmiles(newSmiles); |
| return newSmiles; |
| } catch (err) { |
| console.error("Failed to generate SMILES:", err); |
| setError("Could not generate SMILES from the current structure"); |
| } finally { |
| setIsLoading(false); |
| } |
| return ""; |
| }; |
|
|
| |
| const clearEditor = async () => { |
| if (!isEditorReady) { |
| console.warn("Editor not ready for clearing"); |
| return; |
| } |
|
|
| try { |
| |
| await executeCommand("setMolecule", [""]); |
| setSmiles(""); |
| } catch (err) { |
| console.error("Failed to clear editor:", err); |
| setError("Failed to clear the editor"); |
| } |
| }; |
|
|
| const handleUseExample = (exampleValue) => { |
| setInputSmiles(exampleValue); |
| }; |
|
|
| |
| const handleRetryInit = () => { |
| resetEditor(); |
| setError(null); |
| }; |
|
|
| return ( |
| <div className="flex flex-col gap-6 p-4 md:p-6 bg-white dark:bg-gray-900"> |
| {/* Header with animated background */} |
| <div className="bg-linear-to-r from-blue-600 to-purple-700 dark:from-blue-700 dark:to-purple-900 rounded-xl shadow-xl overflow-hidden relative"> |
| {/* Animated background elements */} |
| <div className="absolute inset-0 overflow-hidden opacity-10"> |
| <div className="absolute left-0 top-0 w-40 h-40 rounded-full bg-white transform -translate-x-1/2 -translate-y-1/2"></div> |
| <div className="absolute right-20 bottom-0 w-64 h-64 rounded-full bg-white transform translate-x-1/2 translate-y-1/2"></div> |
| <div className="absolute left-1/3 top-1/2 w-32 h-32 rounded-full bg-white transform -translate-y-1/2"></div> |
| </div> |
| </div> |
| |
| {/* Copy Modal - For fallback copying */} |
| {showCopyModal && ( |
| <div className="fixed inset-0 bg-black/50 flex items-center justify-center z-50 p-4 animate-fadeIn"> |
| <div className="bg-white dark:bg-gray-800 p-6 rounded-xl shadow-2xl max-w-lg w-full"> |
| <div className="flex justify-between items-center mb-4"> |
| <h3 className="text-lg font-bold text-gray-900 dark:text-white">Copy SMILES</h3> |
| <Button |
| variant="ghost" |
| onClick={() => setShowCopyModal(false)} |
| className="text-gray-500 hover:text-gray-700 dark:text-gray-400 dark:hover:text-gray-200" |
| > |
| <X className="w-5 h-5" /> |
| </Button> |
| </div> |
| <p className="mb-4 text-gray-700 dark:text-gray-300"> |
| Automatic copying failed. Please select and copy this text manually: |
| </p> |
| <div className="mb-4"> |
| <Input |
| type="text" |
| ref={copyTextRef} |
| value={copyModalText} |
| readOnly |
| className="w-full font-mono text-sm" |
| onClick={(e) => (e.target as HTMLInputElement).select()} |
| /> |
| </div> |
| <div className="flex justify-end gap-3"> |
| <Button |
| variant="secondary" |
| onClick={() => setShowCopyModal(false)} |
| className="px-4 py-2 bg-gray-200 dark:bg-gray-700 text-gray-800 dark:text-gray-200 rounded-sm hover:bg-gray-300 dark:hover:bg-gray-600" |
| > |
| Close |
| </Button> |
| </div> |
| </div> |
| </div> |
| )} |
| |
| {/* Main content area */} |
| <div className="grid grid-cols-1 lg:grid-cols-12 gap-6"> |
| {/* Left sidebar with controls */} |
| <div className="lg:col-span-3 flex flex-col gap-4"> |
| {/* SMILES Input Section */} |
| <div className="bg-white dark:bg-gray-800 p-6 rounded-xl shadow-xl border border-gray-100 dark:border-gray-700 backdrop-blur-sm"> |
| <div className="flex items-center mb-4"> |
| <div className="bg-indigo-100 dark:bg-indigo-900/50 p-2 rounded-lg mr-3"> |
| <Pencil className="h-5 w-5 text-indigo-700 dark:text-indigo-400" /> |
| </div> |
| <h2 className="text-lg font-bold text-gray-800 dark:text-white">SMILES Input</h2> |
| </div> |
| |
| <div className="space-y-4"> |
| <div> |
| <label |
| htmlFor="smiles-input" |
| className="block text-sm font-medium text-gray-700 dark:text-gray-300 mb-2" |
| > |
| Enter SMILES to Edit |
| </label> |
| <Input |
| id="smiles-input" |
| type="text" |
| value={inputSmiles} |
| onChange={(e) => setInputSmiles(e.target.value)} |
| placeholder="e.g., CCO for ethanol" |
| className="w-full" |
| /> |
| </div> |
| |
| <Button |
| onClick={loadSmiles} |
| disabled={isLoading || !isEditorReady || !inputSmiles.trim()} |
| className={`w-full relative overflow-hidden px-4 py-2.5 rounded-lg text-white font-medium flex items-center justify-center transition-all duration-300 focus:outline-hidden focus:ring-2 focus:ring-offset-2 dark:focus:ring-offset-gray-800 focus:ring-blue-500 ${ |
| isLoading || !isEditorReady || !inputSmiles.trim() |
| ? "bg-gray-400 dark:bg-gray-600 cursor-not-allowed" |
| : "bg-linear-to-r from-blue-600 to-indigo-700 hover:from-blue-700 hover:to-indigo-800" |
| }`} |
| > |
| {isLoading && "Loading..."} |
| {!isLoading && !isEditorReady && "Initializing..."} |
| {!isLoading && isEditorReady && "Load Structure"} |
| </Button> |
| </div> |
| |
| {/* Quick Examples */} |
| <div className="mt-6"> |
| <p className="text-sm font-medium text-gray-700 dark:text-gray-300 mb-2"> |
| Quick Examples: |
| </p> |
| <div className="flex flex-wrap gap-2"> |
| {examples.map((example, index) => ( |
| <Button |
| variant="outline" |
| key={index} |
| onClick={() => handleUseExample(example.value)} |
| className="inline-flex items-center px-3 py-1.5 border border-gray-300 dark:border-gray-600 shadow-xs text-xs font-medium rounded-full text-gray-700 dark:text-gray-300 bg-white dark:bg-gray-700 hover:bg-gray-50 dark:hover:bg-gray-600 focus:outline-hidden focus:ring-2 focus:ring-offset-2 focus:ring-indigo-500 dark:focus:ring-offset-gray-800 transition-all duration-200" |
| title={`${example.name}: ${example.description}`} |
| > |
| {example.name} |
| </Button> |
| ))} |
| </div> |
| </div> |
| </div> |
| |
| {/* Generated SMILES Section */} |
| <div className="bg-white dark:bg-gray-800 p-6 rounded-xl shadow-xl border border-gray-100 dark:border-gray-700 backdrop-blur-sm"> |
| <div className="flex items-center mb-4"> |
| <div className="bg-green-100 dark:bg-green-900/50 p-2 rounded-lg mr-3"> |
| <ClipboardCopy className="h-5 w-5 text-green-700 dark:text-green-400" /> |
| </div> |
| <h2 className="text-lg font-bold text-gray-800 dark:text-white">Generated SMILES</h2> |
| </div> |
| |
| <div className="space-y-4"> |
| <div className="bg-gray-50 dark:bg-gray-900/50 p-4 rounded-lg border border-gray-200 dark:border-gray-700"> |
| <p className="text-sm text-gray-500 dark:text-gray-400 mb-2"> |
| Structure as SMILES: |
| </p> |
| <div className="font-mono text-sm bg-white dark:bg-gray-800 p-3 rounded-sm border border-gray-200 dark:border-gray-700 break-all max-h-32 overflow-y-auto"> |
| {smiles || ( |
| <span className="text-gray-400 dark:text-gray-500"> |
| No structure generated yet |
| </span> |
| )} |
| </div> |
| </div> |
| |
| <div className="flex flex-col sm:flex-row gap-3"> |
| <Button |
| onClick={getSmiles} |
| disabled={isLoading || !isEditorReady} |
| className={`flex-1 relative overflow-hidden px-4 py-2.5 rounded-lg font-medium flex items-center justify-center transition-all duration-300 focus:outline-hidden focus:ring-2 focus:ring-offset-2 focus:ring-blue-500 ${ |
| isLoading || !isEditorReady |
| ? "bg-gray-400 dark:bg-gray-600 text-white cursor-not-allowed" |
| : "bg-blue-600 text-white hover:bg-blue-700" |
| }`} |
| > |
| Generate SMILES |
| </Button> |
| |
| <Button |
| onClick={() => copyToClipboard()} |
| disabled={!smiles} |
| className={`flex-1 relative overflow-hidden px-4 py-2.5 rounded-lg font-medium flex items-center justify-center transition-all duration-300 focus:outline-hidden focus:ring-2 focus:ring-offset-2 focus:ring-indigo-500 ${ |
| !smiles |
| ? "bg-gray-400 dark:bg-gray-600 text-white cursor-not-allowed" |
| : "bg-indigo-600 text-white hover:bg-indigo-700" |
| }`} |
| > |
| {copySuccess ? ( |
| <> |
| <Check className="w-5 h-5 mr-1" /> |
| Copied! |
| </> |
| ) : ( |
| <> |
| <ClipboardCopy className="w-5 h-5 mr-1" /> |
| Copy |
| </> |
| )} |
| </Button> |
| </div> |
| </div> |
| </div> |
| |
| {/* Information Box */} |
| <div className="bg-linear-to-br from-blue-50 to-indigo-50 dark:from-blue-900/30 dark:to-indigo-900/30 border border-blue-200 dark:border-blue-800/50 rounded-xl p-5 text-sm shadow-lg"> |
| <h4 className="font-bold text-blue-800 dark:text-blue-300 mb-3 flex items-center"> |
| <Info className="h-5 w-5 mr-2 text-blue-500 dark:text-blue-400" /> |
| About This Tool |
| </h4> |
| <div className="space-y-3 text-gray-700 dark:text-gray-300"> |
| <p> |
| This structure editor allows you to draw chemical structures and generate their |
| SMILES notation. |
| </p> |
| <div> |
| <h5 className="font-medium mb-1 text-gray-800 dark:text-gray-200">Features:</h5> |
| <ul className="list-disc list-inside space-y-1 pl-1 text-gray-600 dark:text-gray-400"> |
| <li>Draw chemical structures with an intuitive interface</li> |
| <li>Load existing structures from SMILES strings</li> |
| <li>Generate SMILES notation from drawn structures</li> |
| <li>Copy results to clipboard for use in other applications</li> |
| </ul> |
| </div> |
| </div> |
| </div> |
| </div> |
|
|
| {} |
| <div className="lg:col-span-9 flex flex-col gap-4"> |
| {} |
| <div |
| className={`px-6 py-3 rounded-xl flex items-center justify-between ${ |
| isEditorReady |
| ? "bg-green-50 dark:bg-green-900/20 border border-green-200 dark:border-green-800/40" |
| : "bg-yellow-50 dark:bg-yellow-900/20 border border-yellow-200 dark:border-yellow-800/40" |
| }`} |
| > |
| <div className="flex items-center"> |
| <div |
| className={`h-3 w-3 rounded-full mr-3 ${ |
| isEditorReady ? "bg-green-500 animate-pulse" : "bg-yellow-500 animate-pulse" |
| }`} |
| ></div> |
| <span |
| className={`font-medium ${ |
| isEditorReady |
| ? "text-green-800 dark:text-green-300" |
| : "text-yellow-800 dark:text-yellow-300" |
| }`} |
| > |
| {isEditorReady ? "Editor Ready" : "Initializing Editor..."} |
| </span> |
| </div> |
|
|
| <div className="flex gap-3"> |
| {!isEditorReady && ( |
| <Button |
| onClick={handleRetryInit} |
| className="inline-flex items-center px-3 py-1.5 rounded-lg text-sm font-medium transition-colors bg-yellow-100 dark:bg-yellow-900/30 text-yellow-700 dark:text-yellow-300 hover:bg-yellow-200 dark:hover:bg-yellow-900/50 border border-yellow-300 dark:border-yellow-700/50" |
| > |
| <RefreshCw className="h-4 w-4 mr-1.5" /> |
| Retry Init |
| </Button> |
| )} |
| |
| <Button |
| onClick={clearEditor} |
| disabled={isLoading || !isEditorReady} |
| className={`inline-flex items-center px-3 py-1.5 rounded-lg text-sm font-medium transition-colors ${ |
| isLoading || !isEditorReady |
| ? "bg-gray-300 dark:bg-gray-700 text-gray-500 dark:text-gray-400 cursor-not-allowed" |
| : "bg-white dark:bg-gray-800 text-gray-700 dark:text-gray-300 hover:bg-gray-100 dark:hover:bg-gray-700 border border-gray-300 dark:border-gray-600" |
| }`} |
| > |
| <RefreshCw className="h-4 w-4 mr-1.5" /> |
| Clear Editor |
| </Button> |
| </div> |
| </div> |
|
|
| {} |
| {error && ( |
| <div |
| className="p-4 rounded-xl bg-red-50 dark:bg-red-900/30 text-red-700 dark:text-red-200 border border-red-300 dark:border-red-700/50 flex items-start shadow-lg animate-fadeIn" |
| role="alert" |
| > |
| <AlertCircle |
| className="h-5 w-5 mr-3 shrink-0 mt-0.5 text-red-500 dark:text-red-400" |
| aria-hidden="true" |
| /> |
| <p>{error}</p> |
| </div> |
| )} |
|
|
| {} |
| <div |
| className="bg-white dark:bg-gray-800 rounded-xl shadow-xl border border-gray-200 dark:border-gray-700 overflow-hidden grow" |
| style={{ minHeight: "600px" }} |
| > |
| <iframe |
| ref={ketcherFrame} |
| src="/standalone/index.html" |
| title="Ketcher Editor" |
| className="w-full h-full" |
| style={{ minHeight: "600px" }} |
| frameBorder="0" |
| /> |
| </div> |
|
|
| {} |
| <div className="bg-white dark:bg-gray-800 p-5 rounded-xl border border-gray-200 dark:border-gray-700 shadow-lg"> |
| <h3 className="text-lg font-bold text-gray-800 dark:text-white mb-3 flex items-center"> |
| <Info className="h-5 w-5 mr-2 text-blue-500 dark:text-blue-400" /> |
| How to Use |
| </h3> |
| <ol className="list-decimal list-inside space-y-2 text-gray-700 dark:text-gray-300"> |
| <li>Draw a molecular structure using the editor tools</li> |
| <li>Click "Generate SMILES" to convert your structure to SMILES notation</li> |
| <li>Use "Copy" to save the SMILES to your clipboard</li> |
| <li> |
| Alternatively, paste a SMILES string in the input field and click "Load Structure" |
| </li> |
| </ol> |
| </div> |
| </div> |
| </div> |
| </div> |
| ); |
| }; |
| export default StructureDrawView; |
|
|