molstar
Version:
A comprehensive macromolecular library.
26 lines (25 loc) • 1.47 kB
JavaScript
import { PresetStructureRepresentations, StructureRepresentationPresetProvider, } from '../../../mol-plugin-state/builder/structure/representation-preset';
import { StateObjectRef } from '../../../mol-state';
import { SbNcbrPartialChargesPropertyProvider } from './property';
import { SbNcbrPartialChargesColorThemeProvider } from './color';
export const SbNcbrPartialChargesPreset = StructureRepresentationPresetProvider({
id: 'sb-ncbr-partial-charges-preset',
display: {
name: 'SB NCBR Partial Charges',
group: 'Annotation',
description: 'Color atoms and residues based on their partial charge.',
},
isApplicable(a) {
return !!a.data.models.some((m) => SbNcbrPartialChargesPropertyProvider.isApplicable(m));
},
params: () => StructureRepresentationPresetProvider.CommonParams,
async apply(ref, params, plugin) {
var _a;
const structureCell = StateObjectRef.resolveAndCheck(plugin.state.data, ref);
const structure = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data;
if (!structureCell || !structure)
return {};
const colorTheme = SbNcbrPartialChargesColorThemeProvider.name;
return PresetStructureRepresentations.auto.apply(ref, { ...params, theme: { globalName: colorTheme, focus: { name: colorTheme, params: { chargeType: 'atom' } } } }, plugin);
},
});