openchemlib 8.0.1 → 8.1.0
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.
- package/README.md +3 -0
- package/core.d.ts +8 -5
- package/dist/openchemlib-core.js +142 -142
- package/dist/openchemlib-full.js +156 -156
- package/dist/openchemlib-full.pretty.js +7673 -6197
- package/dist/openchemlib-minimal.js +110 -110
- package/package.json +5 -4
- package/types.d.ts +17 -0
package/package.json
CHANGED
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@@ -1,6 +1,6 @@
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1
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{
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"name": "openchemlib",
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-
"version": "8.0
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3
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+
"version": "8.1.0",
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"description": "Manipulate molecules",
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"keywords": [
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"chemistry",
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@@ -56,13 +56,14 @@
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"homepage": "https://github.com/cheminfo/openchemlib-js",
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"devDependencies": {
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"benchmark": "^2.1.4",
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-
"eslint": "^8.
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+
"eslint": "^8.25.0",
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"eslint-config-cheminfo": "^8.0.2",
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"fs-extra": "^10.1.0",
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"gwt-api-exporter": "^2.0.0",
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-
"jest": "^
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+
"jest": "^29.2.0",
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+
"openchemlib-utils": "^2.1.3",
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"prettier": "^2.7.1",
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"rimraf": "^3.0.2",
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-
"yargs": "^17.
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+
"yargs": "^17.6.0"
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}
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}
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package/types.d.ts
CHANGED
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@@ -2849,6 +2849,17 @@ export declare class Reaction {
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getMergedCopy(): Reaction;
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}
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export declare class ReactionEncoder {
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static encode(reaction: Reaction): string;
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static decode(reaction: string): Reaction;
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}
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export declare class Reactor {
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constructor(reaction: Reaction);
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setReactant(no: number, reactant: Molecule): boolean;
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getProducts(): Molecule[][];
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}
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export declare class SDFileParser {
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/**
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* Creates a new parser.
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@@ -3004,6 +3015,12 @@ export declare class SSSearcherWithIndex {
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createIndex(molecule: Molecule): number[];
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}
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export declare class Transformer {
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constructor(reactant: Molecule, product: Molecule, name: string);
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setMolecule(molecule: Molecule, countMode: number): number;
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applyTransformation(molecule: Molecule, matchNo: number): void;
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}
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+
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export declare namespace Util {
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/**
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* Returns the HOSE(Hierarchical Organisation of Spherical Environments) code
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