openchemlib-utils - npm Package Compare versions

Comparing version 2.2.0 to 2.3.0

src/misc/dwar/parseDwar.js

src/misc/dwar/utils/getParts.js

src/misc/dwar/utils/parseColumnbProperties.js

src/misc/dwar/utils/parseData.js

src/reaction/applyReactions.js

src/reaction/reactionsDatabase.js

src/reaction/utils/applyMultipleReactantsReaction.js

src/reaction/utils/applyOneReactantReaction.js

src/reaction/utils/getReactantInfo.js

package.json

		{
		"name": "openchemlib-utils",
		"version": "2.2.0",
		"version": "2.3.0",
		"description": "Various utilities that extends openchemlib-js like HOSE codes or diastereotopic IDs",
		@@ -34,3 +34,3 @@ "main": "lib/index.js",
		"@babel/plugin-transform-modules-commonjs": "^7.20.11",
		"@types/jest": "^29.2.5",
		"@types/jest": "^29.4.0",
		"cheminfo-build": "^1.1.11",
		@@ -40,7 +40,7 @@ "eslint": "^8.32.0",
		"eslint-plugin-import": "^2.27.5",
		"jest": "^29.3.1",
		"jest": "^29.4.0",
		"jest-matcher-deep-close-to": "^3.0.2",
		"openchemlib": "8.0.0",
		"openchemlib": "^8.2.0",
		"prettier": "^2.8.3",
		"rollup": "^3.10.0"
		"rollup": "^3.10.1"
		},
		@@ -47,0 +47,0 @@ "dependencies": {

src/diastereotopic/__tests/toDiastereotopicSVG.test.js

		@@ -9,5 +9,5 @@ import OCL from 'openchemlib';
		let svg = toDiastereotopicSVG(molecule);
		expect(svg).toHaveLength(996);
		expect(svg).toMatchSnapshot();
		expect(svg).toHaveLength(1028);
		});
		});

src/index.js

		@@ -37,3 +37,6 @@ export * from './diastereotopic/addDiastereotopicMissingChirality';
		export * from './misc/toVisualizerMolfile';
		export * from './misc/dwar/parseDwar';

		export * from './fragment/fragmentAcyclicSingleBonds';

		export * from './reaction/applyReactions.js';

src/util/tagAtom.js

		@@ -25,5 +25,8 @@ let xAtomicNumber = 0;
		const OCL = molecule.getOCL();
		xAtomicNumber = OCL.Molecule.getAtomicNoFromLabel('X');
		xAtomicNumber = OCL.Molecule.getAtomicNoFromLabel(
		'X',
		OCL.Molecule.cPseudoAtomX,
		);
		}
		return xAtomicNumber;
		}

lib/index.js

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src/diastereotopic/__tests/__snapshots__/toDiastereotopicSVG.test.js.snap

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