molstar
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A comprehensive macromolecular library.
407 lines (406 loc) • 21.7 kB
JavaScript
/**
* Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
* @author David Sehnal <david.sehnal@gmail.com>
*/
import { __awaiter, __generator } from "tslib";
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { StructureRepresentationStateBuilder } from './representation';
import { Representation } from '../representation';
import { Structure, StructureElement, Bond } from '../../mol-model/structure';
import { Subject } from 'rxjs';
import { getNextMaterialId } from '../../mol-gl/render-object';
import { Theme } from '../../mol-theme/theme';
import { Task } from '../../mol-task';
import { Loci, EmptyLoci, isEmptyLoci, isEveryLoci, isDataLoci, EveryLoci } from '../../mol-model/loci';
import { MarkerAction, MarkerActions, applyMarkerAction } from '../../mol-util/marker-action';
import { Overpaint } from '../../mol-theme/overpaint';
import { Transparency } from '../../mol-theme/transparency';
import { Mat4, EPSILON } from '../../mol-math/linear-algebra';
import { Interval } from '../../mol-data/int';
import { Clipping } from '../../mol-theme/clipping';
import { Substance } from '../../mol-theme/substance';
export function UnitsRepresentation(label, ctx, getParams, visualCtor) {
var version = 0;
var webgl = ctx.webgl;
var updated = new Subject();
var materialId = getNextMaterialId();
var renderObjects = [];
var geometryState = new Representation.GeometryState();
var _state = StructureRepresentationStateBuilder.create();
var visuals = new Map();
var _structure;
var _groups;
var _params;
var _props;
var _theme = Theme.createEmpty();
function createOrUpdate(props, structure) {
var _this = this;
if (props === void 0) { props = {}; }
if (structure && structure !== _structure) {
_params = getParams(ctx, structure);
if (!_props)
_props = PD.getDefaultValues(_params);
}
_props = Object.assign({}, _props, props);
return Task.create('Creating or updating UnitsRepresentation', function (runtime) { return __awaiter(_this, void 0, void 0, function () {
var i, group, visual, promise, oldVisuals, i, group, visualGroup, visual, promise, promise, arr, visual, promise, i, group, visualGroup, visual, promise, promise, visualsList_1, i, il, _a, visual, group, promise, promise;
var _b, _c, _d;
return __generator(this, function (_e) {
switch (_e.label) {
case 0:
if (!(!_structure && !structure)) return [3 /*break*/, 1];
throw new Error('missing structure');
case 1:
if (!(structure && !_structure)) return [3 /*break*/, 8];
// console.log(label, 'initial structure');
// First call with a structure, create visuals for each group.
_groups = structure.unitSymmetryGroups;
i = 0;
_e.label = 2;
case 2:
if (!(i < _groups.length)) return [3 /*break*/, 7];
group = _groups[i];
visual = visualCtor(materialId, structure, _props, webgl);
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: structure });
if (!promise) return [3 /*break*/, 4];
return [4 /*yield*/, promise];
case 3:
_e.sent();
_e.label = 4;
case 4:
setVisualState(visual, group, _state); // current state for new visual
visuals.set(group.hashCode, { visual: visual, group: group });
if (!runtime.shouldUpdate) return [3 /*break*/, 6];
return [4 /*yield*/, runtime.update({ message: 'Creating or updating UnitsVisual', current: i, max: _groups.length })];
case 5:
_e.sent();
_e.label = 6;
case 6:
i++;
return [3 /*break*/, 2];
case 7: return [3 /*break*/, 43];
case 8:
if (!(structure && (!Structure.areUnitIdsAndIndicesEqual(structure, _structure) || structure.child !== _structure.child))) return [3 /*break*/, 22];
// console.log(label, 'structures not equivalent');
// Tries to re-use existing visuals for the groups of the new structure.
// Creates additional visuals if needed, destroys left-over visuals.
_groups = structure.unitSymmetryGroups;
oldVisuals = visuals;
visuals = new Map();
i = 0;
_e.label = 9;
case 9:
if (!(i < _groups.length)) return [3 /*break*/, 21];
group = _groups[i];
visualGroup = oldVisuals.get(group.hashCode);
if (!visualGroup) return [3 /*break*/, 15];
visual = visualGroup.visual;
if (!((_b = visual.mustRecreate) === null || _b === void 0 ? void 0 : _b.call(visual, { group: group, structure: structure }, _props, webgl))) return [3 /*break*/, 12];
visual.destroy();
visual = visualCtor(materialId, structure, _props, webgl);
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: structure });
if (!promise) return [3 /*break*/, 11];
return [4 /*yield*/, promise];
case 10:
_e.sent();
_e.label = 11;
case 11:
setVisualState(visual, group, _state); // current state for new visual
return [3 /*break*/, 14];
case 12:
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: structure });
if (!promise) return [3 /*break*/, 14];
return [4 /*yield*/, promise];
case 13:
_e.sent();
_e.label = 14;
case 14:
visuals.set(group.hashCode, { visual: visual, group: group });
oldVisuals.delete(group.hashCode);
// Remove highlight
// TODO: remove selection too??
if (visual.renderObject) {
arr = visual.renderObject.values.tMarker.ref.value.array;
applyMarkerAction(arr, Interval.ofBounds(0, arr.length), MarkerAction.RemoveHighlight);
}
return [3 /*break*/, 18];
case 15:
visual = visualCtor(materialId, structure, _props, webgl);
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: structure });
if (!promise) return [3 /*break*/, 17];
return [4 /*yield*/, promise];
case 16:
_e.sent();
_e.label = 17;
case 17:
setVisualState(visual, group, _state); // current state for new visual
visuals.set(group.hashCode, { visual: visual, group: group });
_e.label = 18;
case 18:
if (!runtime.shouldUpdate) return [3 /*break*/, 20];
return [4 /*yield*/, runtime.update({ message: 'Creating or updating UnitsVisual', current: i, max: _groups.length })];
case 19:
_e.sent();
_e.label = 20;
case 20:
i++;
return [3 /*break*/, 9];
case 21:
oldVisuals.forEach(function (_a) {
var visual = _a.visual;
// console.log(label, 'removed unused visual');
visual.destroy();
});
return [3 /*break*/, 43];
case 22:
if (!(structure && structure !== _structure && Structure.areUnitIdsAndIndicesEqual(structure, _structure))) return [3 /*break*/, 34];
// console.log(label, 'structures equivalent but not identical');
// Expects that for structures with the same hashCode,
// the unitSymmetryGroups are the same as well.
// Re-uses existing visuals for the groups of the new structure.
_groups = structure.unitSymmetryGroups;
i = 0;
_e.label = 23;
case 23:
if (!(i < _groups.length)) return [3 /*break*/, 33];
group = _groups[i];
visualGroup = visuals.get(group.hashCode);
if (!visualGroup) return [3 /*break*/, 29];
visual = visualGroup.visual;
if (!((_c = visual.mustRecreate) === null || _c === void 0 ? void 0 : _c.call(visual, { group: group, structure: structure }, _props, ctx.webgl))) return [3 /*break*/, 26];
visual.destroy();
visual = visualCtor(materialId, structure, _props, ctx.webgl);
visualGroup.visual = visual;
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: structure });
if (!promise) return [3 /*break*/, 25];
return [4 /*yield*/, promise];
case 24:
_e.sent();
_e.label = 25;
case 25:
setVisualState(visual, group, _state); // current state for new visual
return [3 /*break*/, 28];
case 26:
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: structure });
if (!promise) return [3 /*break*/, 28];
return [4 /*yield*/, promise];
case 27:
_e.sent();
_e.label = 28;
case 28:
visualGroup.group = group;
return [3 /*break*/, 30];
case 29: throw new Error("expected to find visual for hashCode ".concat(group.hashCode));
case 30:
if (!runtime.shouldUpdate) return [3 /*break*/, 32];
return [4 /*yield*/, runtime.update({ message: 'Creating or updating UnitsVisual', current: i, max: _groups.length })];
case 31:
_e.sent();
_e.label = 32;
case 32:
i++;
return [3 /*break*/, 23];
case 33: return [3 /*break*/, 43];
case 34:
visualsList_1 = [];
visuals.forEach(function (vg) { return visualsList_1.push(vg); });
i = 0, il = visualsList_1.length;
_e.label = 35;
case 35:
if (!(i < il)) return [3 /*break*/, 43];
_a = visualsList_1[i], visual = _a.visual, group = _a.group;
if (!((_d = visual.mustRecreate) === null || _d === void 0 ? void 0 : _d.call(visual, { group: group, structure: _structure }, _props, ctx.webgl))) return [3 /*break*/, 38];
visual.destroy();
visual = visualCtor(materialId, _structure, _props, webgl);
visualsList_1[i].visual = visual;
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props, { group: group, structure: _structure });
if (!promise) return [3 /*break*/, 37];
return [4 /*yield*/, promise];
case 36:
_e.sent();
_e.label = 37;
case 37:
setVisualState(visual, group, _state); // current state for new visual
return [3 /*break*/, 40];
case 38:
promise = visual.createOrUpdate({ webgl: webgl, runtime: runtime }, _theme, _props);
if (!promise) return [3 /*break*/, 40];
return [4 /*yield*/, promise];
case 39:
_e.sent();
_e.label = 40;
case 40:
if (!runtime.shouldUpdate) return [3 /*break*/, 42];
return [4 /*yield*/, runtime.update({ message: 'Creating or updating UnitsVisual', current: i, max: il })];
case 41:
_e.sent();
_e.label = 42;
case 42:
++i;
return [3 /*break*/, 35];
case 43:
// update list of renderObjects
renderObjects.length = 0;
visuals.forEach(function (_a) {
var visual = _a.visual;
if (visual.renderObject) {
renderObjects.push(visual.renderObject);
geometryState.add(visual.renderObject.id, visual.geometryVersion);
}
});
geometryState.snapshot();
// set new structure
if (structure)
_structure = structure;
// increment version
updated.next(version++);
return [2 /*return*/];
}
});
}); });
}
function getLoci(pickingId) {
var loci = EmptyLoci;
visuals.forEach(function (_a) {
var visual = _a.visual;
var _loci = visual.getLoci(pickingId);
if (!isEmptyLoci(_loci))
loci = _loci;
});
return loci;
}
function getAllLoci() {
return [Structure.Loci(_structure.target)];
}
function mark(loci, action) {
if (!_structure)
return false;
if (!MarkerActions.is(_state.markerActions, action))
return false;
if (Structure.isLoci(loci) || StructureElement.Loci.is(loci) || Bond.isLoci(loci)) {
if (!Structure.areRootsEquivalent(loci.structure, _structure))
return false;
// Remap `loci` from equivalent structure to the current `_structure`
loci = Loci.remap(loci, _structure);
if (Structure.isLoci(loci) || (StructureElement.Loci.is(loci) && StructureElement.Loci.isWholeStructure(loci))) {
// Change to `EveryLoci` to allow for downstream optimizations
loci = EveryLoci;
}
}
else if (!isEveryLoci(loci) && !isDataLoci(loci)) {
return false;
}
if (Loci.isEmpty(loci))
return false;
var changed = false;
visuals.forEach(function (_a) {
var visual = _a.visual;
changed = visual.mark(loci, action) || changed;
});
return changed;
}
function setVisualState(visual, group, state) {
var visible = state.visible, alphaFactor = state.alphaFactor, pickable = state.pickable, overpaint = state.overpaint, transparency = state.transparency, substance = state.substance, clipping = state.clipping, transform = state.transform, unitTransforms = state.unitTransforms;
if (visible !== undefined)
visual.setVisibility(visible);
if (alphaFactor !== undefined)
visual.setAlphaFactor(alphaFactor);
if (pickable !== undefined)
visual.setPickable(pickable);
if (overpaint !== undefined)
visual.setOverpaint(overpaint, webgl);
if (transparency !== undefined)
visual.setTransparency(transparency, webgl);
if (substance !== undefined)
visual.setSubstance(substance, webgl);
if (clipping !== undefined)
visual.setClipping(clipping);
if (transform !== undefined)
visual.setTransform(transform);
if (unitTransforms !== undefined) {
if (unitTransforms) {
// console.log(group.hashCode, unitTransforms.getSymmetryGroupTransforms(group))
visual.setTransform(undefined, unitTransforms.getSymmetryGroupTransforms(group));
}
else {
visual.setTransform(undefined, null);
}
}
}
function setState(state) {
var visible = state.visible, alphaFactor = state.alphaFactor, pickable = state.pickable, overpaint = state.overpaint, transparency = state.transparency, substance = state.substance, clipping = state.clipping, transform = state.transform, unitTransforms = state.unitTransforms, syncManually = state.syncManually, markerActions = state.markerActions;
var newState = {};
if (visible !== _state.visible)
newState.visible = visible;
if (alphaFactor !== _state.alphaFactor)
newState.alphaFactor = alphaFactor;
if (pickable !== _state.pickable)
newState.pickable = pickable;
if (overpaint !== undefined && _structure) {
newState.overpaint = Overpaint.remap(overpaint, _structure);
}
if (transparency !== undefined && _structure) {
newState.transparency = Transparency.remap(transparency, _structure);
}
if (substance !== undefined && _structure) {
newState.substance = Substance.remap(substance, _structure);
}
if (clipping !== undefined && _structure) {
newState.clipping = Clipping.remap(clipping, _structure);
}
if (transform !== undefined && !Mat4.areEqual(transform, _state.transform, EPSILON)) {
newState.transform = transform;
}
if (unitTransforms !== _state.unitTransforms || (unitTransforms === null || unitTransforms === void 0 ? void 0 : unitTransforms.version) !== state.unitTransformsVersion) {
newState.unitTransforms = unitTransforms;
_state.unitTransformsVersion = unitTransforms ? unitTransforms === null || unitTransforms === void 0 ? void 0 : unitTransforms.version : -1;
}
if (syncManually !== _state.syncManually)
newState.syncManually = syncManually;
if (markerActions !== _state.markerActions)
newState.markerActions = markerActions;
visuals.forEach(function (_a) {
var visual = _a.visual, group = _a.group;
return setVisualState(visual, group, newState);
});
StructureRepresentationStateBuilder.update(_state, newState);
}
function setTheme(theme) {
_theme = theme;
}
function destroy() {
visuals.forEach(function (_a) {
var visual = _a.visual;
return visual.destroy();
});
visuals.clear();
}
return {
label: label,
get groupCount() {
var groupCount = 0;
visuals.forEach(function (_a) {
var visual = _a.visual;
if (visual.renderObject)
groupCount += visual.groupCount;
});
return groupCount;
},
get geometryVersion() { return geometryState.version; },
get props() { return _props; },
get params() { return _params; },
get state() { return _state; },
get theme() { return _theme; },
renderObjects: renderObjects,
updated: updated,
createOrUpdate: createOrUpdate,
setState: setState,
setTheme: setTheme,
getLoci: getLoci,
getAllLoci: getAllLoci,
mark: mark,
destroy: destroy
};
}