openchemlib 8.7.0 → 8.7.1

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Files changed (9) hide show
  1. package/core.js +22 -1
  2. package/dist/openchemlib-core.js +3 -3
  3. package/dist/openchemlib-full.js +3 -3
  4. package/dist/openchemlib-full.pretty.js +3 -3
  5. package/dist/openchemlib-minimal.js +3 -3
  6. package/full.js +25 -1
  7. package/full.pretty.js +25 -1
  8. package/minimal.js +12 -1
  9. package/package.json +1 -1
package/core.js CHANGED
@@ -1,3 +1,24 @@
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  'use strict';
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- module.exports = require('./dist/openchemlib-core.js');
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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;
package/dist/openchemlib-core.js CHANGED
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.7.0
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- * @date 2023-10-13T08:32:25.922Z
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+ * @version v8.7.1
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+ * @date 2023-10-16T16:59:46.410Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -171,7 +171,7 @@ Glb.dkb=function dkb(a,b,c,d,e,f,g,h,i,j){var k,l,m,n,o,p,q,r,s,t;if(a==b)return
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  var toReturn = $wnd["OCL"];
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- toReturn.version = '8.7.0';
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+ toReturn.version = '8.7.1';
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  return toReturn;
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  }
package/dist/openchemlib-full.js CHANGED
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.7.0
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- * @date 2023-10-13T08:32:25.955Z
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+ * @version v8.7.1
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+ * @date 2023-10-16T16:59:46.440Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -184,7 +184,7 @@ _.cAtomQFNeighbourBits=xYb.ZU;_.cAtomQFNeighbourShift=xYb.$U;_.cAtomQFNeighbours
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  var toReturn = $wnd["OCL"];
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- toReturn.version = '8.7.0';
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+ toReturn.version = '8.7.1';
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  return toReturn;
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  }
package/dist/openchemlib-full.pretty.js CHANGED
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.7.0
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- * @date 2023-10-13T08:32:38.113Z
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+ * @version v8.7.1
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+ * @date 2023-10-16T16:59:57.971Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -89216,7 +89216,7 @@ $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps
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  var toReturn = $wnd["OCL"];
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- toReturn.version = '8.7.0';
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+ toReturn.version = '8.7.1';
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  return toReturn;
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  }
package/dist/openchemlib-minimal.js CHANGED
@@ -1,7 +1,7 @@
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  /**
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  * openchemlib - Manipulate molecules
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- * @version v8.7.0
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- * @date 2023-10-13T08:32:25.894Z
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+ * @version v8.7.1
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+ * @date 2023-10-16T16:59:46.377Z
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  * @link https://github.com/cheminfo/openchemlib-js
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  * @license BSD-3-Clause
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  */
@@ -137,7 +137,7 @@ _.put=function I$(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 = '8.7.0';
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+ toReturn.version = '8.7.1';
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  return toReturn;
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  }
package/full.js CHANGED
@@ -1,3 +1,27 @@
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  'use strict';
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- module.exports = require('./dist/openchemlib-full.js');
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+ const OCL = require('./dist/openchemlib-full.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.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;
package/full.pretty.js CHANGED
@@ -1,3 +1,27 @@
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  'use strict';
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- module.exports = require('./dist/openchemlib-full.pretty.js');
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+ const OCL = require('./dist/openchemlib-full.pretty.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.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;
package/minimal.js CHANGED
@@ -1,3 +1,14 @@
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  'use strict';
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- module.exports = require('./dist/openchemlib-minimal.js');
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+ const OCL = require('./dist/openchemlib-minimal.js');
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+
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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;
package/package.json CHANGED
@@ -1,6 +1,6 @@
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  {
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  "name": "openchemlib",
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- "version": "8.7.0",
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+ "version": "8.7.1",
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  "description": "Manipulate molecules",
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  "keywords": [
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  "chemistry",