molstar
Version:
A comprehensive macromolecular library.
67 lines • 3.16 kB
JavaScript
;
/**
* Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.Grid = void 0;
var geometry_1 = require("../../mol-math/geometry");
var linear_algebra_1 = require("../../mol-math/linear-algebra");
var histogram_1 = require("../../mol-math/histogram");
var Grid;
(function (Grid) {
Grid.One = {
transform: { kind: 'matrix', matrix: linear_algebra_1.Mat4.identity() },
cells: linear_algebra_1.Tensor.create(linear_algebra_1.Tensor.Space([1, 1, 1], [0, 1, 2]), linear_algebra_1.Tensor.Data1([0])),
stats: { min: 0, max: 0, mean: 0, sigma: 0 },
};
var _scale = linear_algebra_1.Mat4.zero(), _translate = linear_algebra_1.Mat4.zero();
function getGridToCartesianTransform(grid) {
if (grid.transform.kind === 'matrix') {
return linear_algebra_1.Mat4.copy((0, linear_algebra_1.Mat4)(), grid.transform.matrix);
}
if (grid.transform.kind === 'spacegroup') {
var space = grid.cells.space;
var scale = linear_algebra_1.Mat4.fromScaling(_scale, linear_algebra_1.Vec3.div(linear_algebra_1.Vec3.zero(), geometry_1.Box3D.size(linear_algebra_1.Vec3.zero(), grid.transform.fractionalBox), linear_algebra_1.Vec3.ofArray(space.dimensions)));
var translate = linear_algebra_1.Mat4.fromTranslation(_translate, grid.transform.fractionalBox.min);
return linear_algebra_1.Mat4.mul3(linear_algebra_1.Mat4.zero(), grid.transform.cell.fromFractional, translate, scale);
}
return linear_algebra_1.Mat4.identity();
}
Grid.getGridToCartesianTransform = getGridToCartesianTransform;
function areEquivalent(gridA, gridB) {
return gridA === gridB;
}
Grid.areEquivalent = areEquivalent;
function isEmpty(grid) {
return grid.cells.data.length === 0;
}
Grid.isEmpty = isEmpty;
function getBoundingSphere(grid, boundingSphere) {
if (!boundingSphere)
boundingSphere = (0, geometry_1.Sphere3D)();
var dimensions = grid.cells.space.dimensions;
var transform = Grid.getGridToCartesianTransform(grid);
return geometry_1.Sphere3D.fromDimensionsAndTransform(boundingSphere, dimensions, transform);
}
Grid.getBoundingSphere = getBoundingSphere;
/**
* Compute histogram with given bin count.
* Cached on the Grid object.
*/
function getHistogram(grid, binCount) {
var histograms = grid._historams;
if (!histograms) {
histograms = grid._historams = {};
}
if (!histograms[binCount]) {
histograms[binCount] = (0, histogram_1.calculateHistogram)(grid.cells.data, binCount, { min: grid.stats.min, max: grid.stats.max });
}
return histograms[binCount];
}
Grid.getHistogram = getHistogram;
})(Grid || (Grid = {}));
exports.Grid = Grid;
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