openchemlib 8.20.2 → 9.0.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (35) hide show
  1. package/README.md +5 -55
  2. package/{types.d.ts → dist/openchemlib.d.ts} +66 -240
  3. package/dist/openchemlib.debug.js +69894 -0
  4. package/dist/openchemlib.js +24 -0
  5. package/dist/resources.json +37 -0
  6. package/package.json +26 -44
  7. package/core.d.ts +0 -15
  8. package/core.js +0 -24
  9. package/dist/openchemlib-core.js +0 -283
  10. package/dist/openchemlib-full.js +0 -310
  11. package/dist/openchemlib-full.pretty.js +0 -101963
  12. package/dist/openchemlib-minimal.js +0 -228
  13. package/full.d.ts +0 -16
  14. package/full.js +0 -32
  15. package/full.pretty.d.ts +0 -1
  16. package/full.pretty.js +0 -32
  17. package/lib/canvas_editor/clipboard_handler.js +0 -15
  18. package/lib/canvas_editor/create_editor.js +0 -152
  19. package/lib/canvas_editor/cursor_manager_16.js +0 -41
  20. package/lib/canvas_editor/cursor_manager_24.js +0 -43
  21. package/lib/canvas_editor/cursors_24px.js +0 -21
  22. package/lib/canvas_editor/draw_context.js +0 -156
  23. package/lib/canvas_editor/editor_area.js +0 -31
  24. package/lib/canvas_editor/editor_dialog.js +0 -250
  25. package/lib/canvas_editor/editor_image.js +0 -46
  26. package/lib/canvas_editor/editor_stylesheet.js +0 -21
  27. package/lib/canvas_editor/events.js +0 -144
  28. package/lib/canvas_editor/init/canvas_editor.js +0 -137
  29. package/lib/canvas_editor/init/canvas_editor_element.js +0 -359
  30. package/lib/canvas_editor/init/index.js +0 -70
  31. package/lib/canvas_editor/toolbar.js +0 -28
  32. package/lib/canvas_editor/ui_helper.js +0 -57
  33. package/lib/canvas_editor/utils.js +0 -55
  34. package/minimal.d.ts +0 -18
  35. package/minimal.js +0 -14
package/package.json CHANGED
@@ -1,6 +1,7 @@
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  {
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  "name": "openchemlib",
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- "version": "8.20.2",
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+ "version": "9.0.0",
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+ "type": "module",
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  "description": "Manipulate molecules",
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  "keywords": [
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  "chemistry",
@@ -9,26 +10,19 @@
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  "SMILES"
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  ],
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  "scripts": {
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- "build:min": "node scripts/build.js build --mode=min",
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- "build:pretty": "node scripts/build.js build --mode=pretty -s pretty",
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- "compile:min": "node scripts/build.js compile --mode=min",
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- "compile:pretty": "node scripts/build.js compile --mode=pretty",
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- "copy:openchemlib": "node scripts/build.js copy:openchemlib",
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- "export": "node scripts/build.js export",
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- "build": "npm run build:min && npm run build-full-pretty",
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- "build-core": "npm run build:min -- -m core",
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- "build-debug-core": "npm run build:pretty -- -m core --verbose",
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- "build-debug-full": "npm run build:pretty -- -m full --verbose",
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- "build-debug-minimal": "npm run build:pretty -- -m minimal --verbose",
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- "build-esm": "npm run build-full && npm run build-esm-bundle-export",
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- "build-esm-bundle": "esbuild full.js --bundle --sourcemap --format=esm --outfile=distesm/full.js",
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- "build-esm-bundle-export": "npm run build-esm-bundle && node scripts/build_esm_bundle_types.js",
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- "build-esm-bundle-types": "node scripts/esm_bundle_types.js",
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- "build-esm-bundle-watch": "npm run build-esm-bundle -- --watch",
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- "build-help": "node scripts/build_help.mjs",
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- "build-full": "npm run build:min -- -m full",
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- "build-full-pretty": "npm run build:pretty -- -m full",
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- "build-minimal": "npm run build:min -- -m minimal",
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+ "build": "npm run build-java && npm run build-js && npm run build-resources",
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+ "build-help": "node scripts/build_help.js",
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+ "build-java": "npm run build-java-min && npm run build-java-debug",
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+ "build-java-debug": "node scripts/build.js build --mode=pretty -s debug",
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+ "build-java-debug-verbose": "npm run build-java-debug -- --verbose",
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+ "build-java-min": "node scripts/build.js build --mode=min",
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+ "build-js": "npm run build-js-min && npm run build-js-debug && npm run build-js-types",
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+ "build-js-debug": "esbuild lib/index.debug.js --bundle --format=esm --outfile=dist/openchemlib.debug.js",
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+ "build-js-min": "esbuild lib/index.js --minify --bundle --format=esm --outfile=dist/openchemlib.js",
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+ "build-js-types": "node -e \"fs.cpSync('lib/index.d.ts', 'dist/openchemlib.d.ts')\"",
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+ "build-resources": "node scripts/build_resources.js",
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+ "clean": "node scripts/clean.js",
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+ "copy-openchemlib": "node scripts/build.js copy:openchemlib",
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  "eslint": "eslint .",
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  "eslint-fix": "npm run eslint -- --fix",
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  "prettier": "prettier --check .",
@@ -39,30 +33,18 @@
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  "vite-build": "vite build",
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  "vite-preview": "vite preview"
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  },
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- "main": "./core.js",
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  "exports": {
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- ".": "./core.js",
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- "./minimal": "./minimal.js",
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- "./minimal.js": "./minimal.js",
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- "./core": "./core.js",
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- "./core.js": "./core.js",
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- "./full": "./full.js",
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- "./full.js": "./full.js",
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- "./full.pretty": "./full.pretty.js",
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- "./full.pretty.js": "./full.pretty.js"
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+ ".": {
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+ "types": "./dist/openchemlib.d.ts",
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+ "default": "./dist/openchemlib.js"
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+ },
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+ "./debug": {
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+ "types": "./dist/openchemlib.d.ts",
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+ "default": "./dist/openchemlib.debug.js"
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+ }
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  },
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  "files": [
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- "dist",
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- "lib",
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- "types.d.ts",
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- "minimal.js",
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- "minimal.d.ts",
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- "core.js",
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- "core.d.ts",
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- "full.js",
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- "full.d.ts",
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- "full.pretty.js",
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- "full.pretty.d.ts"
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+ "dist"
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  ],
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  "repository": {
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  "type": "git",
@@ -78,7 +60,7 @@
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  },
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  "homepage": "https://github.com/cheminfo/openchemlib-js",
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  "devDependencies": {
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- "@types/node": "^22.14.0",
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+ "@types/node": "^22.14.1",
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  "autoprefixer": "^10.4.21",
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  "benchmark": "^2.1.4",
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  "esbuild": "^0.25.2",
@@ -86,7 +68,7 @@
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  "eslint-config-cheminfo-typescript": "^18.0.0",
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  "fast-png": "^6.3.0",
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  "globals": "^16.0.0",
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- "gwt-api-exporter": "^2.0.0",
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+ "gwt-api-exporter": "^3.0.0",
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  "image-js": "0.0.0-next-692b15513a",
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  "openchemlib-utils": "^6.7.0",
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  "postcss": "^8.5.3",
package/core.d.ts DELETED
@@ -1,15 +0,0 @@
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- export * from './minimal';
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- export {
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- CanonizerUtil,
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- ConformerGenerator,
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- DruglikenessPredictor,
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- DrugScoreCalculator,
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- ForceFieldMMFF94,
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- IInitializeConformersOptions,
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- IParameterizedString,
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- MoleculeProperties,
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- ReactionEncoder,
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- Reactor,
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- Transformer,
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- ToxicityPredictor,
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- } from './types';
package/core.js DELETED
@@ -1,24 +0,0 @@
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- 'use strict';
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-
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- const OCL = require('./dist/openchemlib-core.js');
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-
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- exports.default = OCL;
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- exports.CanonizerUtil = OCL.CanonizerUtil;
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- exports.ConformerGenerator = OCL.ConformerGenerator;
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- exports.DrugScoreCalculator = OCL.DrugScoreCalculator;
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- exports.DruglikenessPredictor = OCL.DruglikenessPredictor;
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- exports.ForceFieldMMFF94 = OCL.ForceFieldMMFF94;
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- exports.Molecule = OCL.Molecule;
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- exports.MoleculeProperties = OCL.MoleculeProperties;
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- exports.Reaction = OCL.Reaction;
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- exports.ReactionEncoder = OCL.ReactionEncoder;
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- exports.Reactor = OCL.Reactor;
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- exports.RingCollection = OCL.RingCollection;
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- exports.SDFileParser = OCL.SDFileParser;
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- exports.SSSearcher = OCL.SSSearcher;
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- exports.SSSearcherWithIndex = OCL.SSSearcherWithIndex;
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- exports.SmilesParser = OCL.SmilesParser;
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- exports.ToxicityPredictor = OCL.ToxicityPredictor;
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- exports.Transformer = OCL.Transformer;
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- exports.Util = OCL.Util;
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- exports.version = OCL.version;