openchemlib 9.7.0 → 9.8.0
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.d.ts +7 -4
- package/dist/openchemlib.debug.js +2154 -2176
- package/dist/openchemlib.js +9 -9
- package/package.json +9 -9
package/dist/openchemlib.d.ts
CHANGED
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@@ -546,6 +546,10 @@ export declare class Molecule {
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// eslint-disable-next-line @typescript-eslint/no-explicit-any
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getOCL(): any;
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+
/**
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* Returns a kekulized SMILES string.
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* @deprecated Use {@link toIsomericSmiles} instead.
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+
*/
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toSmiles(): string;
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toSmarts(): string;
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@@ -987,7 +991,7 @@ export declare class Molecule {
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* @param atom
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* @returns null or previously defined atom custom label
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*/
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-
getAtomCustomLabel(atom: number): string;
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+
getAtomCustomLabel(atom: number): string | null;
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/**
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*
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@@ -1642,12 +1646,11 @@ export declare class Molecule {
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* Canonizer.encodeAtomCustomLabels(). If a custom label start with ']' then the
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* label without the ']' symbol is shown at the top left of the original atom
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* label rather than replacing the original atom label. If label is null or
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-
* equals the normal atom label, then the custom label is removed.
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* is less efficient than the byte[] version: setAtomCustomLabel(int, byte[])
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* equals the normal atom label, then the custom label is removed.
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* @param atom
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* @param label - null to remove custom label
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*/
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-
setAtomCustomLabel(atom: number, label: string): void;
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+
setAtomCustomLabel(atom: number, label: string | null): void;
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/**
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* This is MDL's enhanced stereo representation (ESR). Stereo atoms and bonds
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