openchemlib 8.7.0 → 8.7.2
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.
- package/core.js +22 -1
- package/dist/openchemlib-core.js +32 -32
- package/dist/openchemlib-full.js +41 -41
- package/dist/openchemlib-full.pretty.js +486 -483
- package/dist/openchemlib-minimal.js +3 -3
- package/full.js +25 -1
- package/full.pretty.js +25 -1
- package/minimal.js +12 -1
- package/package.json +1 -1
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@@ -1,7 +1,7 @@
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/**
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* openchemlib - Manipulate molecules
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* @version v8.7.
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* @date 2023-
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* @version v8.7.2
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* @date 2023-11-14T15:02:59.547Z
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* @link https://github.com/cheminfo/openchemlib-js
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* @license BSD-3-Clause
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*/
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@@ -137,7 +137,7 @@ _.put=function I$(a,b){return T0.w$(this,a,b)};_.remove=function J$(a){return T0
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var toReturn = $wnd["OCL"];
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toReturn.version = '8.7.
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toReturn.version = '8.7.2';
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return toReturn;
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}
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package/full.js
CHANGED
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@@ -1,3 +1,27 @@
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'use strict';
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const OCL = require('./dist/openchemlib-full.js');
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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.SVGRenderer = OCL.SVGRenderer;
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exports.SmilesParser = OCL.SmilesParser;
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exports.StructureEditor = OCL.StructureEditor;
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exports.StructureView = OCL.StructureView;
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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;
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package/full.pretty.js
CHANGED
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@@ -1,3 +1,27 @@
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'use strict';
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const OCL = require('./dist/openchemlib-full.pretty.js');
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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.SVGRenderer = OCL.SVGRenderer;
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exports.SmilesParser = OCL.SmilesParser;
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exports.StructureEditor = OCL.StructureEditor;
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exports.StructureView = OCL.StructureView;
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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;
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package/minimal.js
CHANGED
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@@ -1,3 +1,14 @@
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'use strict';
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const OCL = require('./dist/openchemlib-minimal.js');
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exports.default = OCL;
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exports.Molecule = OCL.Molecule;
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exports.Reaction = OCL.Reaction;
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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.Util = OCL.Util;
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exports.version = OCL.version;
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