openchemlib 9.14.0 → 9.15.0
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 +43 -4
- package/dist/openchemlib.debug.js +545 -417
- package/dist/openchemlib.js +11 -11
- package/package.json +1 -1
package/dist/openchemlib.d.ts
CHANGED
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@@ -1701,9 +1701,10 @@ export declare class Molecule {
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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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* @param atom
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-
* @param label - null to remove custom label
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1704
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* @param label - `null` to remove custom label.
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* @returns Whether the label was changed.
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*/
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-
setAtomCustomLabel(atom: number, label: string | null):
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1707
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+
setAtomCustomLabel(atom: number, label: string | null): boolean;
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/**
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* This is MDL's enhanced stereo representation (ESR). Stereo atoms and bonds
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@@ -2977,14 +2978,52 @@ export declare class Canonizer {
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}
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/**
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-
* All depictor options default to `false`.
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2981
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* All boolean depictor options except `inflateToMaxAVBL` and `chiralTextBelowMolecule` default to `false`.
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*/
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export interface DepictorOptions {
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2984
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/**
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* Must be an integer between 0 and 65535.
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*
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* If 0 is passed, a constant value of 24 will be used regardless of `inflateToHighResAVBL`.
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* @default 0
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*/
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maxAVBL?: number;
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// Please keep the next groups and ordering the same as in AbstractDepictor.java
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2993
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// We reserve the right to improve / fix names if it makes them easier to understand.
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// Examples: hilite -> highlight, atomNo -> showAtomNumber
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/**
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* Mutually exclusive with `inflateToHighResAVBL`.
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* @default true (if inflateToHighResAVBL is not set)
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*/
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inflateToMaxAVBL?: boolean;
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/**
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* Mutually exclusive with `inflateToMaxAVBL`.
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*
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* Only has an effect if `maxAVBL` has a value different from 0.
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* @default false
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*/
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inflateToHighResAVBL?: boolean;
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/**
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* Put the chiral text just below the molecule.
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* @default true
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*/
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chiralTextBelowMolecule?: boolean;
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/**
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* Put the chiral text just above the molecule.
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* @default false
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*/
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chiralTextAboveMolecule?: boolean;
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/**
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* Put the chiral text at the top of the frame.
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* @default false
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*/
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chiralTextOnFrameTop?: boolean;
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/**
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* Put the chiral text at the bottom of the frame.
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* @default false
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*/
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chiralTextOnFrameBottom?: boolean;
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noTabus?: boolean;
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@@ -2995,7 +3034,6 @@ export interface DepictorOptions {
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suppressChiralText?: boolean;
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suppressCIPParity?: boolean;
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suppressESR?: boolean;
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-
noCarbonLabelWithCustomLabel?: boolean;
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showSymmetryAny?: boolean;
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showSymmetrySimple?: boolean;
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@@ -3005,6 +3043,7 @@ export interface DepictorOptions {
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noColorOnESRAndCIP?: boolean;
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noImplicitHydrogen?: boolean;
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drawBondsInGray?: boolean;
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noCarbonLabelWithCustomLabel?: boolean;
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}
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export declare class Reaction {
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