bokehmol
Version:
Handle molecules with bokeh
43 lines • 2 kB
JavaScript
import { BaseHover, BaseHoverView } from "./base_hover";
import { RDKitFormatter } from "./rdkit_formatter";
export class RDKitHoverView extends BaseHoverView {
static __name__ = "RDKitHoverView";
initialize() {
super.initialize();
const { formatters, smiles_column, width, height, mols_per_row, prefer_coordgen, remove_hs, sanitize, kekulize, draw_options } = this.model;
// @ts-expect-error
formatters["@" + smiles_column] = new RDKitFormatter({
width: width,
height: height,
mols_per_row: mols_per_row,
prefer_coordgen: prefer_coordgen,
remove_hs: remove_hs,
sanitize: sanitize,
kekulize: kekulize,
draw_options: draw_options,
});
}
}
export class RDKitHover extends BaseHover {
static __name__ = "RDKitHover";
get computed_icon() {
return "data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC";
}
constructor(attrs) {
super(attrs);
}
static __module__ = "bokehmol.models.rdkit_hover";
static {
this.prototype.default_view = RDKitHoverView;
this.define(({ Bool, Dict, Unknown }) => ({
prefer_coordgen: [Bool, true],
remove_hs: [Bool, true],
sanitize: [Bool, true],
kekulize: [Bool, true],
draw_options: [Dict(Unknown), {}],
}));
this.register_alias("rdkit_hover", () => new RDKitHover());
}
tool_name = "RDKit Hover";
}
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