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index.js
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import * as dotenv from "dotenv";
dotenv.config(); // Load environment variables before anything else
import fs from "fs";
import { JSDOM } from "jsdom";
import { ReactionRenderer } from "../lib/esm/index.js";
// Set up a virtual DOM
const dom = new JSDOM(`<!DOCTYPE html><html><body></body></html>`, {
pretendToBeVisual: true,
});
global.window = dom.window;
global.document = dom.window.document;
global.DOMParser = dom.window.DOMParser;
global.XMLSerializer = dom.window.XMLSerializer;
global.HTMLElement = dom.window.HTMLElement;
global.Node = dom.window.Node;
async function generateReactionSVG() {
try {
// Initialize the ReactionRenderer
// const renderer = new ReactionRenderer();
const fileData = {
"displayMatrix": {
"multistep": false,
"condition": true,
"temperature": true,
"duration": true,
"solvent": true,
"elementMargin": 20,
"svg_type": "ketcher1",
"samples": {
"19": {
"coefficient": true,
"yield_equivalent": true,
"molecule_sum_formula": true,
"sample_name": false,
"sample_short_label": true,
"sample_external_label": false,
"molecule_name": true,
"sample_index": false,
"svg": true
},
"20": {
"coefficient": true,
"yield_equivalent": true,
"molecule_sum_formula": true,
"sample_name": false,
"sample_short_label": true,
"sample_external_label": false,
"molecule_name": true,
"sample_index": false,
"svg": true
},
"21": {
"coefficient": true,
"yield_equivalent": true,
"molecule_sum_formula": true,
"sample_name": false,
"sample_short_label": true,
"sample_external_label": false,
"molecule_name": true,
"sample_index": false,
"svg": true
},
"22": {
"coefficient": true,
"yield_equivalent": true,
"molecule_sum_formula": true,
"sample_name": false,
"sample_short_label": true,
"sample_external_label": false,
"molecule_name": true,
"sample_index": false,
"svg": true
},
"23": {
"coefficient": true,
"yield_equivalent": true,
"molecule_sum_formula": true,
"sample_name": false,
"sample_short_label": true,
"sample_external_label": false,
"molecule_name": true,
"sample_index": false,
"svg": true
},
"24": {
"coefficient": true,
"yield_equivalent": true,
"molecule_sum_formula": true,
"sample_name": false,
"sample_short_label": true,
"sample_external_label": false,
"molecule_name": true,
"sample_index": false,
"svg": true
}
}
},
"reactionArray": [
{
"sample_id": 19,
"position": 0,
"step": 1,
"type": "ReactionsStartingMaterialSample",
"sample_short_label": "CU1-19",
"sample_index": "0",
"sample_external_label": "CU1-Wyatt",
"sample_name": "If I Forget Thee Jerusalem",
"sum_formula": null,
"svgs": {
"ketcher1": "<?xml version=\"1.0\"?><svg xmlns=\"http://www.w3.org/2000/svg\" height=\"49.996453389692874\" version=\"1.1\" width=\"163.92919058066843\" style=\"overflow: hidden; position: relative;\" viewBox=\"0 0 183 69\">\n <g transform=\"translate(-293, -241)\">\n <defs style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\"/>\n <text x=\"-51.964595290334216\" y=\"-9.998226694846425\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,355,261)\">\n <tspan dy=\"8.493960805153575\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">I</tspan>\n </text>\n <text x=\"51.964595290334216\" y=\"9.998226694846425\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,355,261)\">\n <tspan dy=\"8.506039194846425\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">Cl</tspan>\n </text>\n <path fill=\"none\" stroke=\"#000000\" d=\"M-45.8535226,-6.47099594L-17.3199155,9.99822669\" stroke-width=\"1.6\" stroke-linecap=\"round\" stroke-linejoin=\"round\" transform=\"matrix(1,0,0,1,355,261)\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); stroke-linecap: round; stroke-linejoin: round;\"/>\n <path fill=\"none\" stroke=\"#000000\" d=\"M-17.3199155,9.99822669L17.3199155,-9.99822669\" stroke-width=\"1.6\" stroke-linecap=\"round\" stroke-linejoin=\"round\" transform=\"matrix(1,0,0,1,355,261)\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); stroke-linecap: round; stroke-linejoin: round;\"/>\n <path fill=\"none\" stroke=\"#000000\" d=\"M17.3199155,-9.99822669L37.8535226,1.85350119\" stroke-width=\"1.6\" stroke-linecap=\"round\" stroke-linejoin=\"round\" transform=\"matrix(1,0,0,1,355,261)\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); stroke-linecap: round; stroke-linejoin: round;\"/>\n </g>\n</svg>\n"
},
"equivalent": null,
"coefficient": 1
},
{
"sample_id": 20,
"position": 0,
"step": 1,
"type": "ReactionsStartingMaterialSample",
"sample_short_label": "CU1-20",
"sample_index": "0",
"sample_external_label": "CU1-Tula",
"sample_name": "Time To Murder And Create",
"sum_formula": null,
"svgs": {
"ketcher1": "<?xml version=\"1.0\"?><svg xmlns=\"http://www.w3.org/2000/svg\" height=\"203.51014667792037\" version=\"1.1\" width=\"294.17361889255915\" style=\"overflow: hidden; position: relative;\" viewBox=\"0 0 314 223\">\n <g transform=\"translate(-225, -164)\">\n <defs style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\"/>\n <text x=\"29.280429442059432\" y=\"-20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.50751916525995\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">C</tspan>\n </text>\n <text x=\"29.280429442059432\" y=\"-20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,391.0141,262.3508)\">\n <tspan dy=\"8.50751916525995\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">H</tspan>\n </text>\n <text x=\"29.280429442059432\" y=\"-20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,405.2203,267.7539)\">\n <tspan dy=\"5.50751916525995\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">3</tspan>\n </text>\n <text x=\"-74.64351900322984\" y=\"-80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.5066391610398\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">O</tspan>\n </text>\n <text x=\"-74.64351900322984\" y=\"-80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,388.0141,254.2461)\">\n <tspan dy=\"5.5066391610398\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">–</tspan>\n </text>\n <text x=\"-109.28160278101961\" y=\"-20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.50751916525995\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">C</tspan>\n </text>\n <text x=\"-109.28160278101961\" y=\"-20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,344.4578,262.3508)\">\n <tspan dy=\"8.50751916525995\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">H</tspan>\n </text>\n <text x=\"-109.28160278101961\" y=\"-20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,358.6641,267.7539)\">\n <tspan dy=\"5.50751916525995\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">3</tspan>\n </text>\n <text x=\"-5.357654335730365\" y=\"-80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.5066391610398\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">O</tspan>\n </text>\n <text x=\"29.280429442059432\" y=\"80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.4933608389602\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">C</tspan>\n </text>\n <text x=\"29.280429442059432\" y=\"80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,391.0141,262.3508)\">\n <tspan dy=\"8.4933608389602\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">H</tspan>\n </text>\n <text x=\"29.280429442059432\" y=\"80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,405.2203,267.7539)\">\n <tspan dy=\"5.4933608389602\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">3</tspan>\n </text>\n <text x=\"-74.64351900322984\" y=\"20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.49248083474005\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">O</tspan>\n </text>\n <text x=\"-74.64351900322984\" y=\"20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,388.0141,254.2461)\">\n <tspan dy=\"5.49248083474005\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">–</tspan>\n </text>\n <text x=\"-109.28160278101961\" y=\"80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.4933608389602\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">C</tspan>\n </text>\n <text x=\"-109.28160278101961\" y=\"80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,344.4578,262.3508)\">\n <tspan dy=\"8.4933608389602\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">H</tspan>\n </text>\n <text x=\"-109.28160278101961\" y=\"80.0011733389602\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,358.6641,267.7539)\">\n <tspan dy=\"5.4933608389602\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">3</tspan>\n </text>\n <text x=\"-5.357654335730365\" y=\"20.00029333474005\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.49248083474005\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">O</tspan>\n </text>\n <text x=\"69.28101611153953\" y=\"0\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.5078125\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">Mn</tspan>\n </text>\n <text x=\"69.28101611153953\" y=\"0\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,400.0688,254.2461)\">\n <tspan dy=\"5.5\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">2+</tspan>\n </text>\n <text x=\"109.28160278101961\" y=\"-40.0005866694801\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.5072258305199\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">O</tspan>\n </text>\n <text x=\"109.28160278101961\" y=\"-40.0005866694801\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,343.7938,262.3508)\">\n <tspan dy=\"8.5072258305199\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">H</tspan>\n </text>\n <text x=\"109.28160278101961\" y=\"-40.0005866694801\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,358,267.7539)\">\n <tspan dy=\"5.5072258305199\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">2</tspan>\n </text>\n <text x=\"109.28160278101961\" y=\"0\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\">\n <tspan dy=\"8.5078125\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">O</tspan>\n </text>\n <text x=\"109.28160278101961\" y=\"0\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 24px Arial;\" font-size=\"24px\" transform=\"matrix(1,0,0,1,343.7938,262.3508)\">\n <tspan dy=\"8.5078125\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">H</tspan>\n </text>\n <text x=\"109.28160278101961\" y=\"0\" text-anchor=\"middle\" font=\"30px "Arial"\" stroke=\"none\" fill=\"#000000\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); text-anchor: middle; font: 17px Arial;\" font-size=\"17px\" transform=\"matrix(1,0,0,1,358,267.7539)\">\n <tspan dy=\"5.5\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0);\">2</tspan>\n </text>\n <path fill=\"none\" stroke=\"#000000\" d=\"M17.83816252,-26.60714538L-5.35765434,-40.00058667\" stroke-width=\"1.6\" stroke-linecap=\"round\" stroke-linejoin=\"round\" transform=\"matrix(1,0,0,1,372.8703,262.3508)\" style=\"-webkit-tap-highlight-color: rgba(0, 0, 0, 0); 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},
{
"sample_id": 23,
"position": 0,
"step": 1,
"type": "ReactionsProductSample",
"sample_short_label": "CU1-23",
"sample_index": "0",
"sample_external_label": "CU1-Jamel",
"sample_name": "Frequent Hearses",
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},
"equivalent": null,
"coefficient": 1
},
{
"type": "condition",
"step": 1,
"value": "Françoise Sagan"
},
{
"type": "duration",
"step": 1,
"value": ""
},
{
"type": "temperature",
"step": 1,
"value": {
"data": [
],
"userText": "",
"valueUnit": "°C"
}
}
]
}
// Generate the SVG output
const svgOutput = new ReactionRenderer(fileData.displayMatrix, fileData.reactionArray)
const re = svgOutput.renderReaction();
console.log(re)
// Save the generated SVG to a file
// fs.writeFileSync("reaction.svg", svgOutput);
// console.log("✅ SVG Reaction Image saved as 'reaction.svg'");
} catch (error) {
console.error("❌ Error generating SVG reaction:", error);
}
}
// Run the function
generateReactionSVG();