molstar
Version:
A comprehensive macromolecular library.
123 lines (122 loc) • 4.59 kB
JavaScript
;
/*
* Copyright (c) 2016 - now, David Sehnal, licensed under Apache 2.0, See LICENSE file for more info.
*/
Object.defineProperty(exports, "__esModule", { value: true });
exports.volume = exports.dimensions = exports.intersect = exports.areIntersecting = exports.bounding = exports.fractionalFromBlock = exports.fractionalToDomain = exports.clampGridToSamples = exports.shift = exports.expandGridBox = exports.fractionalBoxReorderAxes = exports.gridToFractional = exports.fractionalToGrid = exports.cartesianToFractional = void 0;
var tslib_1 = require("tslib");
var Coords = tslib_1.__importStar(require("./coordinate"));
// CONVERSIONS
function cartesianToFractional(box, spacegroup) {
var l = box.a, r = box.b;
var corners = [
[l[0], l[1], l[2]],
[r[0], l[1], l[2]],
[l[0], r[1], l[2]],
[l[0], l[1], r[2]],
[r[0], r[1], l[2]],
[r[0], l[1], r[2]],
[l[0], r[1], r[2]],
[r[0], r[1], r[2]],
].map(function (c) { return Coords.cartesianToFractional(Coords.cartesian(c[0], c[1], c[2]), spacegroup); });
return bounding(corners);
}
exports.cartesianToFractional = cartesianToFractional;
function fractionalToGrid(box, domain) {
return { a: Coords.fractionalToGrid(box.a, domain, 'bottom'), b: Coords.fractionalToGrid(box.b, domain, 'top') };
}
exports.fractionalToGrid = fractionalToGrid;
function gridToFractional(box) {
return { a: Coords.gridToFractional(box.a), b: Coords.gridToFractional(box.b) };
}
exports.gridToFractional = gridToFractional;
function fractionalBoxReorderAxes(box, axisOrder) {
var a = box.a, b = box.b;
return {
a: Coords.withCoord(a, a[axisOrder[0]], a[axisOrder[1]], a[axisOrder[2]]),
b: Coords.withCoord(b, b[axisOrder[0]], b[axisOrder[1]], b[axisOrder[2]])
};
}
exports.fractionalBoxReorderAxes = fractionalBoxReorderAxes;
function expandGridBox(box, by) {
var a = box.a, b = box.b;
return {
a: Coords.withCoord(a, a[0] - by, a[1] - by, a[2] - by),
b: Coords.withCoord(b, b[0] + by, b[1] + by, b[2] + by)
};
}
exports.expandGridBox = expandGridBox;
// MISC
function shift(box, offset) {
return { a: Coords.add(box.a, offset), b: Coords.add(box.b, offset) };
}
exports.shift = shift;
function clampGridToSamples(box) {
return { a: Coords.clampGridToSamples(box.a), b: Coords.clampGridToSamples(box.b) };
}
exports.clampGridToSamples = clampGridToSamples;
function fractionalToDomain(box, kind, delta) {
var ds = Coords.fractional(box.b[0] - box.a[0], box.b[1] - box.a[1], box.b[2] - box.a[2]);
return Coords.domain(kind, {
delta: delta,
origin: box.a,
dimensions: ds,
sampleCount: Coords.sampleCounts(ds, delta)
});
}
exports.fractionalToDomain = fractionalToDomain;
function fractionalFromBlock(block) {
var domain = block.domain;
var a = Coords.gridToFractional(block);
var b = Coords.add(a, domain.delta);
for (var i = 0; i < 3; i++) {
b[i] = Math.min(b[i], domain.origin[i] + domain.dimensions[i]);
}
return { a: a, b: b };
}
exports.fractionalFromBlock = fractionalFromBlock;
function bounding(xs) {
var a = Coords.clone(xs[0]);
var b = Coords.clone(xs[0]);
for (var _i = 0, xs_1 = xs; _i < xs_1.length; _i++) {
var x = xs_1[_i];
for (var i = 0; i < 3; i++) {
a[i] = Math.min(a[i], x[i]);
b[i] = Math.max(b[i], x[i]);
}
}
return { a: a, b: b };
}
exports.bounding = bounding;
function areIntersecting(box1, box2) {
for (var i = 0; i < 3; i++) {
var x = box1.a[i], y = box1.b[i];
var u = box2.a[i], v = box2.b[i];
if (x > v || y < u)
return false;
}
return true;
}
exports.areIntersecting = areIntersecting;
function intersect(box1, box2) {
var a = Coords.clone(box1.a);
var b = Coords.clone(box1.a);
for (var i = 0; i < 3; i++) {
var x = box1.a[i], y = box1.b[i];
var u = box2.a[i], v = box2.b[i];
if (x > v || y < u)
return void 0;
a[i] = Math.max(x, u);
b[i] = Math.min(y, v);
}
return { a: a, b: b };
}
exports.intersect = intersect;
function dimensions(box) {
return [box.b[0] - box.a[0], box.b[1] - box.a[1], box.b[2] - box.a[2]];
}
exports.dimensions = dimensions;
function volume(box) {
return (box.b[0] - box.a[0]) * (box.b[1] - box.a[1]) * (box.b[2] - box.a[2]);
}
exports.volume = volume;