openchemlib 8.12.0 → 8.13.0
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/dist/openchemlib-core.js +144 -144
- package/dist/openchemlib-full.js +156 -156
- package/dist/openchemlib-full.pretty.js +65 -37
- package/dist/openchemlib-minimal.js +109 -110
- package/package.json +1 -1
- package/types.d.ts +23 -0
package/package.json
CHANGED
package/types.d.ts
CHANGED
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@@ -48,6 +48,23 @@ export interface AtomQueryFeatures {
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ringSizeLarge: boolean;
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}
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51
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+
export interface BondQueryFeatures {
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single: boolean;
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double: boolean;
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triple: boolean;
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delocalized: boolean;
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metalLigand: boolean;
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quadruple: boolean;
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quintuple: boolean;
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notRing: boolean;
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ring: boolean;
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aromatic: boolean;
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nonAromatic: boolean;
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ringSize: number;
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brigdeMin: number;
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brigdeSpan: number;
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}
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+
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export interface IMoleculeToSVGOptions extends IDepictorOptions {
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/**
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* Factor used to compute the size of text nodes.
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@@ -945,6 +962,12 @@ export declare class Molecule {
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*/
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getAtomQueryFeaturesObject(atom: number): AtomQueryFeatures;
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/**
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* Get the bond query features as an object
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* @param bond
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968
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*/
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getBondQueryFeaturesObject(bond: number): BondQueryFeatures;
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/**
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* The list of atoms that are allowed at this position during sub-structure
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* search. (or refused atoms, if atom query feature cAtomQFAny is set).
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