molstar
Version:
A comprehensive macromolecular library.
84 lines (83 loc) • 4.09 kB
JavaScript
/**
* Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { __assign } from "tslib";
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { Mat4, Vec3 } from '../../../mol-math/linear-algebra';
import { Wedge } from '../../../mol-geo/primitive/wedge';
import { Mesh } from '../../../mol-geo/geometry/mesh/mesh';
import { MeshBuilder } from '../../../mol-geo/geometry/mesh/mesh-builder';
import { createCurveSegmentState, PolymerTraceIterator, interpolateCurveSegment, PolymerLocationIterator, getPolymerElementLoci, eachPolymerElement } from './util/polymer';
import { isNucleic, SecondaryStructureType } from '../../../mol-model/structure/model/types';
import { UnitsMeshParams, UnitsMeshVisual } from '../units-visual';
import { Sphere3D } from '../../../mol-math/geometry';
var t = Mat4.identity();
var sVec = Vec3.zero();
var n0 = Vec3.zero();
var n1 = Vec3.zero();
var upVec = Vec3.zero();
var depthFactor = 4;
var widthFactor = 4;
var heightFactor = 6;
var wedge = Wedge();
export var PolymerDirectionWedgeParams = {
sizeFactor: PD.Numeric(0.2, { min: 0, max: 10, step: 0.01 }),
};
export var DefaultPolymerDirectionWedgeProps = PD.getDefaultValues(PolymerDirectionWedgeParams);
function createPolymerDirectionWedgeMesh(ctx, unit, structure, theme, props, mesh) {
var polymerElementCount = unit.polymerElements.length;
if (!polymerElementCount)
return Mesh.createEmpty(mesh);
var sizeFactor = props.sizeFactor;
var vertexCount = polymerElementCount * 24;
var builderState = MeshBuilder.createState(vertexCount, vertexCount / 10, mesh);
var linearSegments = 1;
var state = createCurveSegmentState(linearSegments);
var normalVectors = state.normalVectors, binormalVectors = state.binormalVectors;
var i = 0;
var polymerTraceIt = PolymerTraceIterator(unit, structure);
while (polymerTraceIt.hasNext) {
var v = polymerTraceIt.move();
builderState.currentGroup = i;
var isNucleicType = isNucleic(v.moleculeType);
var isSheet = SecondaryStructureType.is(v.secStrucType, 4 /* SecondaryStructureType.Flag.Beta */);
var tension = (isNucleicType || isSheet) ? 0.5 : 0.9;
var shift = isNucleicType ? 0.3 : 0.5;
interpolateCurveSegment(state, v, tension, shift);
if ((isSheet && !v.secStrucLast) || !isSheet) {
var size = theme.size.size(v.center) * sizeFactor;
var depth = depthFactor * size;
var width = widthFactor * size;
var height = heightFactor * size;
var vectors = isNucleicType ? binormalVectors : normalVectors;
Vec3.fromArray(n0, vectors, 0);
Vec3.fromArray(n1, vectors, 3);
Vec3.normalize(upVec, Vec3.add(upVec, n0, n1));
Mat4.targetTo(t, v.p3, v.p1, upVec);
Mat4.mul(t, t, Mat4.rotY90Z180);
Mat4.scale(t, t, Vec3.set(sVec, height, width, depth));
Mat4.setTranslation(t, v.p2);
MeshBuilder.addPrimitive(builderState, t, wedge);
}
++i;
}
var m = MeshBuilder.getMesh(builderState);
var sphere = Sphere3D.expand(Sphere3D(), unit.boundary.sphere, 1 * props.sizeFactor);
m.setBoundingSphere(sphere);
return m;
}
export var PolymerDirectionParams = __assign(__assign({}, UnitsMeshParams), PolymerDirectionWedgeParams);
export function PolymerDirectionVisual(materialId) {
return UnitsMeshVisual({
defaultProps: PD.getDefaultValues(PolymerDirectionParams),
createGeometry: createPolymerDirectionWedgeMesh,
createLocationIterator: PolymerLocationIterator.fromGroup,
getLoci: getPolymerElementLoci,
eachLocation: eachPolymerElement,
setUpdateState: function (state, newProps, currentProps) {
state.createGeometry = (newProps.sizeFactor !== currentProps.sizeFactor);
}
}, materialId);
}