xsmiles
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XSMILES is a JavaScript tool to visualize atom and non-atom attributions and SMILES strings through interactive coordinated visualizations.
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TypeScript
import React from "react";
import { Method, Molecule, Vertex, RawMolecule } from "../../types/molecule.types";
import { GradientConfig } from "../../types/gradient.types";
import { MoleculeViewsConfig } from "../../types/moleculeViews.types";
import { DrawerType } from "../../types/drawer.interface";
import KDBush from "kdbush";
export interface Props {
id: string;
rawMolecule: RawMolecule;
method?: Method;
width?: number;
height?: number;
structureColorMode: "atom" | "attribution";
heatmap?: boolean;
alphaRange?: number[];
structureColor?: string;
background?: string;
theme?: "light" | "dark";
gradientConfig: GradientConfig;
hideBarChart?: boolean;
hideAttributesTable?: boolean;
drawerType: DrawerType;
scaleResolution?: number;
bondLength?: number;
showScoresOnStructure?: boolean;
}
interface State {
molecule: Molecule;
mouseOverChange: boolean;
viewsConfig: MoleculeViewsConfig;
kdTreeForAtoms: KDBush<Vertex> | undefined;
mouseOverVertices: Vertex[];
}
declare class MoleculeViews extends React.Component<Props, State> {
constructor(props: Props);
private createMolecule;
private initializeState;
switchMouseOverStateController(): void;
updateStructure: () => void;
returnMoleculeWithVertices: (molecule: Molecule) => void;
render(): JSX.Element | null;
onMouseMoveOverStructure: (event: any, molecule: Molecule, scaleResolution: number) => void;
private updateColorMaps;
private validate;
}
export default MoleculeViews;
//# sourceMappingURL=MoleculeViews.d.ts.map