molstar
Version:
A comprehensive macromolecular library.
77 lines (76 loc) • 4.22 kB
JavaScript
;
/**
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.ElementCrossVisual = exports.createElementCross = exports.ElementCrossParams = void 0;
var tslib_1 = require("tslib");
var param_definition_1 = require("../../../mol-util/param-definition");
var units_visual_1 = require("../units-visual");
var structure_1 = require("../../../mol-model/structure");
var linear_algebra_1 = require("../../../mol-math/linear-algebra");
var element_1 = require("./util/element");
var geometry_1 = require("../../../mol-math/geometry");
var lines_1 = require("../../../mol-geo/geometry/lines/lines");
var lines_builder_1 = require("../../../mol-geo/geometry/lines/lines-builder");
var util_1 = require("../../../mol-model-props/computed/chemistry/util");
// avoiding namespace lookup improved performance in Chrome (Aug 2020)
var v3scaleAndAdd = linear_algebra_1.Vec3.scaleAndAdd;
var v3unitX = linear_algebra_1.Vec3.unitX;
var v3unitY = linear_algebra_1.Vec3.unitY;
var v3unitZ = linear_algebra_1.Vec3.unitZ;
exports.ElementCrossParams = tslib_1.__assign(tslib_1.__assign({}, units_visual_1.UnitsLinesParams), { lineSizeAttenuation: param_definition_1.ParamDefinition.Boolean(false), ignoreHydrogens: param_definition_1.ParamDefinition.Boolean(false), traceOnly: param_definition_1.ParamDefinition.Boolean(false), crosses: param_definition_1.ParamDefinition.Select('lone', param_definition_1.ParamDefinition.arrayToOptions(['lone', 'all'])), crossSize: param_definition_1.ParamDefinition.Numeric(0.35, { min: 0, max: 2, step: 0.01 }) });
function createElementCross(ctx, unit, structure, theme, props, lines) {
var child = structure.child;
if (child && !child.unitMap.get(unit.id))
return lines_1.Lines.createEmpty(lines);
var elements = unit.elements;
var n = elements.length;
var builder = lines_builder_1.LinesBuilder.create(n, n / 10, lines);
var p = (0, linear_algebra_1.Vec3)();
var s = (0, linear_algebra_1.Vec3)();
var e = (0, linear_algebra_1.Vec3)();
var pos = unit.conformation.invariantPosition;
var ignore = (0, element_1.makeElementIgnoreTest)(structure, unit, props);
var r = props.crossSize / 2;
var lone = props.crosses === 'lone';
for (var i = 0; i < n; ++i) {
if (ignore && ignore(elements[i]))
continue;
if (lone && structure_1.Unit.isAtomic(unit) && (0, util_1.bondCount)(structure, unit, i) !== 0)
continue;
pos(elements[i], p);
v3scaleAndAdd(s, p, v3unitX, r);
v3scaleAndAdd(e, p, v3unitX, -r);
builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
v3scaleAndAdd(s, p, v3unitY, r);
v3scaleAndAdd(e, p, v3unitY, -r);
builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
v3scaleAndAdd(s, p, v3unitZ, r);
v3scaleAndAdd(e, p, v3unitZ, -r);
builder.add(s[0], s[1], s[2], e[0], e[1], e[2], i);
}
var l = builder.getLines();
var sphere = geometry_1.Sphere3D.expand((0, geometry_1.Sphere3D)(), unit.boundary.sphere, 1 * props.sizeFactor);
l.setBoundingSphere(sphere);
return l;
}
exports.createElementCross = createElementCross;
function ElementCrossVisual(materialId) {
return (0, units_visual_1.UnitsLinesVisual)({
defaultProps: param_definition_1.ParamDefinition.getDefaultValues(exports.ElementCrossParams),
createGeometry: createElementCross,
createLocationIterator: element_1.ElementIterator.fromGroup,
getLoci: element_1.getElementLoci,
eachLocation: element_1.eachElement,
setUpdateState: function (state, newProps, currentProps) {
state.createGeometry = (newProps.ignoreHydrogens !== currentProps.ignoreHydrogens ||
newProps.traceOnly !== currentProps.traceOnly ||
newProps.crosses !== currentProps.crosses ||
newProps.crossSize !== currentProps.crossSize);
}
}, materialId);
}
exports.ElementCrossVisual = ElementCrossVisual;