chore: update ESLint config and lint all js code

.prettierignore

@@ -0,0 +1,6 @@
+CHANGELOG.md
+dist
+distold
+gwt
+openchemlib
+war

__tests__/SmilesParser.js

@@ -124,7 +124,7 @@ it('should should optionally not invent coordinates', () => {
 
 it('should should optionally not parse stereo features', () => {
   const parser = new SmilesParser();
-  const vitaminA = 'C/C(=C\\CO)/C=C/C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C';
+  const vitaminA = String.raw`C/C(=C\CO)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C`;
   const molecule = new Molecule(0, 0);
   parser.parseMolecule(vitaminA, { molecule, noStereo: true });
   const idCodeWithoutStereo = molecule.getIDCode();

__tests__/library.js

@@ -47,12 +47,12 @@ test('core', () => {
 });
 
 test('full', () => {
-  [full, pretty].forEach((lib) => {
+  for (const lib of [full, pretty]) {
     checkHas(lib, allAPI);
-  });
+  }
 });
 
-allAPI.forEach((key) => {
+for (const key of allAPI) {
   const api = full[key];
   if (typeof api === 'function') {
     test(`static properties of ${key}`, () => {
@@ -64,16 +64,16 @@ allAPI.forEach((key) => {
       });
     }
   }
-});
+}
 
 function checkHas(obj, properties) {
   expect(Object.keys(obj).sort()).toStrictEqual(properties.sort());
 }
 
 function checkHasNot(obj, properties) {
-  properties.forEach((prop) => {
+  for (const prop of properties) {
     expect(obj).not.toHaveProperty(prop);
-  });
+  }
 }
 
 function getFilteredKeys(obj) {

__tests__/molecule.js

@@ -1,6 +1,6 @@
 'use strict';
 
-const fs = require('fs');
+const fs = require('node:fs');
 
 const { Molecule } = require('../minimal');
 

__tests__/molfileAndAtomMapNo.test.js

@@ -11,11 +11,11 @@ test('molfile with atomMapNo', () => {
   const newMolfile = molecule.toMolfile();
   const atomMapNo = newMolfile
     .split(/\r?\n/)
-    .filter((line) => line.match(/ [OCH] /))
-    // eslint-disable-next-line prefer-named-capture-group
+    .filter((line) => line.match(/ [CHO] /))
     .map((line) =>
-      line.replace(/.* (?<och>[OCH]) .*(?<n>.) {2}0 {2}0$/, '$<och> $<n>'),
+      line.replace(/.* (?<och>[CHO]) .*(?<n>.) {2}0 {2}0$/, '$<och> $<n>'),
     );
+
   expect(atomMapNo).toStrictEqual(['O 5', 'C 1', 'C 3', 'C 4', 'H 2']);
 
   const svg = molecule.toSVG(300, 200);

__tests__/sssearcher.js

@@ -10,8 +10,7 @@ describe('SSSearcher', () => {
   let benzeneFragment = Molecule.fromSmiles('c1ccccc1');
   benzeneFragment.setFragment(true);
   let ethylBenzene = Molecule.fromSmiles('CCc1ccccc1');
-  let allicin = Molecule.fromSmiles('O=S(SC\\C=C)C\\C=C');
-
+  let allicin = Molecule.fromSmiles(String.raw`O=S(SC\C=C)C\C=C`);
   it('should find in itself', () => {
     let searcher = new SSSearcher();
     searcher.setMolecule(benzene);

__tests__/sssearcher_with_index.js

@@ -120,7 +120,7 @@ function getTestData() {
   const ethylBenzene = Molecule.fromSmiles('CCc1ccccc1');
   const ethylBenzeneIndex = searcher.createIndex(ethylBenzene);
 
-  const allicin = Molecule.fromSmiles('O=S(SC\\C=C)C\\C=C');
+  const allicin = Molecule.fromSmiles(String.raw`O=S(SC\C=C)C\C=C`);
   const allicinIndex = searcher.createIndex(allicin);
   return {
     benzene,

benchmark/diastereoID.mjs

@@ -0,0 +1,16 @@
+import { getDiastereotopicAtomIDs } from 'openchemlib-utils';
+
+import { Molecule, version } from '../full.js';
+
+console.log('OCL version', version);
+console.time('diastereoID');
+const response = await fetch('https://wikipedia.cheminfo.org/data.json');
+const { data } = await response.json();
+let totalLength = 0;
+for (const entry of data.molecules.slice(0, 700)) {
+  const molecule = Molecule.fromIDCode(entry.idCode);
+  const ids = getDiastereotopicAtomIDs(molecule);
+  totalLength += ids.length;
+}
+console.timeEnd('diastereoID');
+console.log(totalLength);

benchmark/molfile.js → benchmark/molfile.mjs

@@ -1,9 +1,7 @@
-'use strict';
+import Benchmark from 'benchmark';
 
-const Benchmark = require('benchmark');
-
-const OCLOld = require('../distold/openchemlib-full.pretty');
-const OCLNew = require('../full.pretty');
+import OCLOld from '../distold/openchemlib-full.pretty.js';
+import OCLNew from '../full.pretty.js';
 
 const idcode = 'enYXNH@MHDAELem`OCIILdhhdiheCDlieKDdefndZRVVjjfjjfjihJBbb@@@';
 const mol = OCLNew.Molecule.fromIDCode(idcode);

benchmark/sssearcher.js → benchmark/sssearcher.mjs

@@ -1,9 +1,7 @@
-'use strict';
+import Benchmark from 'benchmark';
 
-const Benchmark = require('benchmark');
-
-const OCLOld = require('../distold/openchemlib-full.pretty');
-const OCLNew = require('../full.pretty');
+import OCLOld from '../distold/openchemlib-full.pretty.js';
+import OCLNew from '../full.pretty.js';
 
 let benzeneFragmentNew = OCLNew.Molecule.fromSmiles('c1ccccc1');
 benzeneFragmentNew.setFragment(true);

benchmark/wikipedia.mjs

@@ -0,0 +1,14 @@
+import { Molecule, version } from '../full.js';
+
+console.log('OCL version', version);
+console.time('wikipedia');
+const response = await fetch('https://wikipedia.cheminfo.org/data.json');
+const { data } = await response.json();
+const idCodes = [];
+for (const entry of data.molecules.slice(0, 10000)) {
+  const molecule = Molecule.fromIDCode(entry.idCode);
+  const idCode = molecule.getIDCode();
+  idCodes.push(idCode);
+}
+console.timeEnd('wikipedia');
+console.log(idCodes.join(',').length);

eslint.config.mjs

@@ -0,0 +1,63 @@
+import cheminfo from 'eslint-config-cheminfo/base';
+import unicorn from 'eslint-config-cheminfo/unicorn';
+import globals from 'globals';
+
+export default [
+  {
+    ignores: [
+      'dist/**',
+      'distold/**',
+      'examples/**',
+      'gwt/**',
+      'scripts/stringWidthDataGenerator.js',
+      'war/**',
+    ],
+  },
+  ...cheminfo,
+  ...unicorn,
+  {
+    files: ['*.js'],
+    languageOptions: {
+      sourceType: 'commonjs',
+    },
+  },
+  {
+    files: ['__tests__/**'],
+    languageOptions: {
+      globals: {
+        ...globals.node,
+        ...globals.jest,
+      },
+      sourceType: 'commonjs',
+    },
+  },
+  {
+    files: ['benchmark/**'],
+    languageOptions: {
+      globals: {
+        ...globals.node,
+      },
+    },
+    rules: {
+      'no-console': 'off',
+    },
+  },
+  {
+    files: ['scripts/**'],
+    languageOptions: {
+      globals: {
+        ...globals.node,
+      },
+      sourceType: 'commonjs',
+    },
+    rules: {
+      'unicorn/no-process-exit': 'off',
+    },
+  },
+  {
+    files: ['tests/**'],
+    rules: {
+      'no-console': 'off',
+    },
+  },
+];

full.d.ts

@@ -5,5 +5,5 @@ export {
   SVGRenderer,
   AtomHighlightCallback,
   BondHighlightCallback,
-  ChangeListenerCallback
+  ChangeListenerCallback,
 } from './types';