diff --git a/.env b/.env
new file mode 100644
index 0000000..06f95df
--- /dev/null
+++ b/.env
@@ -0,0 +1 @@
+HEADLESS_REACTION_SVG=true
diff --git a/README.md b/README.md
index c649ebc..ff2c452 100644
--- a/README.md
+++ b/README.md
@@ -59,6 +59,10 @@ navigate to into reaction-svg-composer and execute
npm link
yarn compile
```
+### Development - ali 14.02.2024
+set .env (HEADLESS_REACTION_SVG=true) in root directory
+run following: node .\example\index.js
+
## Acknowledgments
diff --git a/example/index.js b/example/index.js
new file mode 100644
index 0000000..6c32cb3
--- /dev/null
+++ b/example/index.js
@@ -0,0 +1,238 @@
+
+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(``, {
+ 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": "\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": "\n"
+ },
+ "equivalent": 0.0016557297067639597,
+ "coefficient": 1
+ },
+ {
+ "sample_id": 21,
+ "position": 0,
+ "step": 1,
+ "type": "ReactionsReactantSample",
+ "sample_short_label": "New Reactant",
+ "sample_index": "0",
+ "sample_external_label": "CU1-Mikki",
+ "sample_name": "Mr Standfast",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "equivalent": 0.004222523970004419,
+ "coefficient": 1
+ },
+ {
+ "sample_id": 22,
+ "position": 0,
+ "step": 1,
+ "type": "ReactionsReactantSample",
+ "sample_short_label": "New Reactant",
+ "sample_index": "0",
+ "sample_external_label": "CU1-Jeremy",
+ "sample_name": "Dulce et Decorum Est",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "equivalent": 0.4998516253605817,
+ "coefficient": 1
+ },
+ {
+ "sample_id": 24,
+ "position": 0,
+ "step": 1,
+ "type": "ReactionsProductSample",
+ "sample_short_label": "CU1-24",
+ "sample_index": "0",
+ "sample_external_label": "CU1-Wilhelmina",
+ "sample_name": "It's a Battlefield",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "equivalent": 0,
+ "coefficient": 1
+ },
+ {
+ "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",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "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();
diff --git a/example/test2.json b/example/test2.json
new file mode 100644
index 0000000..ede6589
--- /dev/null
+++ b/example/test2.json
@@ -0,0 +1,198 @@
+{
+ "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": "\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": "\n"
+ },
+ "equivalent": 0.0016557297067639597,
+ "coefficient": 1
+ },
+ {
+ "sample_id": 21,
+ "position": 0,
+ "step": 1,
+ "type": "ReactionsReactantSample",
+ "sample_short_label": "New Reactant",
+ "sample_index": "0",
+ "sample_external_label": "CU1-Mikki",
+ "sample_name": "Mr Standfast",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "equivalent": 0.004222523970004419,
+ "coefficient": 1
+ },
+ {
+ "sample_id": 22,
+ "position": 0,
+ "step": 1,
+ "type": "ReactionsReactantSample",
+ "sample_short_label": "New Reactant",
+ "sample_index": "0",
+ "sample_external_label": "CU1-Jeremy",
+ "sample_name": "Dulce et Decorum Est",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "equivalent": 0.4998516253605817,
+ "coefficient": 1
+ },
+ {
+ "sample_id": 24,
+ "position": 0,
+ "step": 1,
+ "type": "ReactionsProductSample",
+ "sample_short_label": "CU1-24",
+ "sample_index": "0",
+ "sample_external_label": "CU1-Wilhelmina",
+ "sample_name": "It's a Battlefield",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "equivalent": 0,
+ "coefficient": 1
+ },
+ {
+ "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",
+ "sum_formula": null,
+ "svgs": {
+ "ketcher1": "\n"
+ },
+ "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"
+ }
+ }
+ ]
+}
\ No newline at end of file
diff --git a/package.json b/package.json
index a87b21c..31a6f32 100644
--- a/package.json
+++ b/package.json
@@ -15,6 +15,7 @@
"@types/jest": "^29.5.3",
"@typescript-eslint/eslint-plugin": "^6.4.0",
"@typescript-eslint/parser": "^6.4.0",
+ "cross-env": "^7.0.3",
"eslint": "^8.47.0",
"eslint-config-airbnb-base": "^15.0.0",
"eslint-config-airbnb-typescript": "^17.1.0",
@@ -28,16 +29,17 @@
"typescript": "^5.1.6"
},
"scripts": {
- "compile": "yarn run tscEs && yarn run tscCommon",
+ "compile": "yarn run tscEs && yarn run tscCommon && yarn run test",
"tscEs": "tsc -p tsconfig.esm.json",
"tscCommon": "tsc -p tsconfig.cjs.json",
"lint": "eslint --fix",
"start": "node --experimental-json-modules lib/esm/index.js",
- "test": "NODE_OPTIONS=\"$NODE_OPTIONS --experimental-vm-modules\" HEADLESS_REACTION_SVG=true jest",
+ "test": "cross-env NODE_OPTIONS=--experimental-vm-modules HEADLESS_REACTION_SVG=true jest",
"prepare": "yarn run tscEs && yarn run tscCommon"
},
"dependencies": {
"@svgdotjs/svg.js": "^3.2.0",
+ "dotenv": "^16.4.7",
"svgdom": "^0.1.14"
},
"exports": {
diff --git a/yarn.lock b/yarn.lock
index dbfdfe8..3580698 100644
--- a/yarn.lock
+++ b/yarn.lock
@@ -1551,7 +1551,14 @@ create-require@^1.1.0:
resolved "https://registry.yarnpkg.com/create-require/-/create-require-1.1.1.tgz#c1d7e8f1e5f6cfc9ff65f9cd352d37348756c333"
integrity sha512-dcKFX3jn0MpIaXjisoRvexIJVEKzaq7z2rZKxf+MSr9TkdmHmsU4m2lcLojrj/FHl8mk5VxMmYA+ftRkP/3oKQ==
-cross-spawn@^7.0.2, cross-spawn@^7.0.3:
+cross-env@^7.0.3:
+ version "7.0.3"
+ resolved "https://registry.yarnpkg.com/cross-env/-/cross-env-7.0.3.tgz#865264b29677dc015ba8418918965dd232fc54cf"
+ integrity sha512-+/HKd6EgcQCJGh2PSjZuUitQBQynKor4wrFbRg4DtAgS1aWO+gU52xpH7M9ScGgXSYmAVS9bIJ8EzuaGw0oNAw==
+ dependencies:
+ cross-spawn "^7.0.1"
+
+cross-spawn@^7.0.1, cross-spawn@^7.0.2, cross-spawn@^7.0.3:
version "7.0.6"
resolved "https://registry.yarnpkg.com/cross-spawn/-/cross-spawn-7.0.6.tgz#8a58fe78f00dcd70c370451759dfbfaf03e8ee9f"
integrity sha512-uV2QOWP2nWzsy2aMp8aRibhi9dlzF5Hgh5SHaB9OiTGEyDTiJJyx0uy51QXdyWbtAHNua4XJzUKca3OzKUd3vA==
@@ -1729,6 +1736,11 @@ domexception@^4.0.0:
dependencies:
webidl-conversions "^7.0.0"
+dotenv@^16.4.7:
+ version "16.4.7"
+ resolved "https://registry.yarnpkg.com/dotenv/-/dotenv-16.4.7.tgz#0e20c5b82950140aa99be360a8a5f52335f53c26"
+ integrity sha512-47qPchRCykZC03FhkYAhrvwU4xDBFIj1QPqaarj6mdM/hgUzfPHcpkHJOn3mJAufFeeAxAzeGsr5X0M4k6fLZQ==
+
electron-to-chromium@^1.4.284:
version "1.4.288"
resolved "https://registry.yarnpkg.com/electron-to-chromium/-/electron-to-chromium-1.4.288.tgz#bbce00eb03c1819fe3d0d0d861374b76c53f7507"