molstar
Version:
A comprehensive macromolecular library.
55 lines (54 loc) • 3.35 kB
JavaScript
;
/**
* Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Michal Malý <michal.maly@ibt.cas.cz>
* @author Jiří Černý <jiri.cerny@ibt.cas.cz>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.ConfalPyramidsPreset = void 0;
exports.confalPyramidLabel = confalPyramidLabel;
const color_1 = require("./color");
const property_1 = require("./property");
const representation_1 = require("./representation");
const property_2 = require("../property");
const representation_preset_1 = require("../../../mol-plugin-state/builder/structure/representation-preset");
const mol_state_1 = require("../../../mol-state");
const mol_task_1 = require("../../../mol-task");
exports.ConfalPyramidsPreset = (0, representation_preset_1.StructureRepresentationPresetProvider)({
id: 'preset-structure-representation-confal-pyramids',
display: {
name: 'Confal Pyramids', group: 'Annotation',
description: 'Schematic depiction of conformer class and confal value.',
},
isApplicable(a) {
return a.data.models.length >= 1 && a.data.models.some(m => property_2.Dnatco.isApplicable(m));
},
params: () => representation_preset_1.StructureRepresentationPresetProvider.CommonParams,
async apply(ref, params, plugin) {
var _a;
const structureCell = mol_state_1.StateObjectRef.resolveAndCheck(plugin.state.data, ref);
const model = (_a = structureCell === null || structureCell === void 0 ? void 0 : structureCell.obj) === null || _a === void 0 ? void 0 : _a.data.model;
if (!structureCell || !model)
return {};
await plugin.runTask(mol_task_1.Task.create('Confal Pyramids', async (runtime) => {
await property_1.ConfalPyramidsProvider.attach({ runtime, assetManager: plugin.managers.asset, errorContext: plugin.errorContext }, model);
}));
const { components, representations } = await representation_preset_1.PresetStructureRepresentations.auto.apply(ref, { ...params }, plugin);
const pyramids = await plugin.builders.structure.tryCreateComponentStatic(structureCell, 'nucleic', { label: 'Confal Pyramids' });
const { update, builder, typeParams } = representation_preset_1.StructureRepresentationPresetProvider.reprBuilder(plugin, params);
let pyramidsRepr;
if (representations)
pyramidsRepr = builder.buildRepresentation(update, pyramids, { type: representation_1.ConfalPyramidsRepresentationProvider, typeParams, color: color_1.ConfalPyramidsColorThemeProvider }, { tag: 'confal-pyramdis' });
await update.commit({ revertOnError: true });
return { components: { ...components, pyramids }, representations: { ...representations, pyramidsRepr } };
}
});
function confalPyramidLabel(step) {
return `
<b>${step.auth_asym_id_1}</b> |
<b>${step.label_comp_id_1} ${step.auth_seq_id_1}${step.PDB_ins_code_1}${step.label_alt_id_1.length > 0 ? ` (alt ${step.label_alt_id_1})` : ''}
${step.label_comp_id_2} ${step.auth_seq_id_2}${step.PDB_ins_code_2}${step.label_alt_id_2.length > 0 ? ` (alt ${step.label_alt_id_2})` : ''} </b><br />
<i>NtC:</i> ${step.NtC} | <i>Confal score:</i> ${step.confal_score} | <i>RMSD:</i> ${step.rmsd.toFixed(2)}
`;
}