molstar
Version:
A comprehensive macromolecular library.
167 lines • 8.41 kB
JavaScript
/**
* Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import { createTextureImage } from '../../../mol-gl/renderable/util';
import { Box3D } from '../../../mol-math/geometry';
import { Vec2, Vec3, Vec4 } from '../../../mol-math/linear-algebra';
import { getVolumeTexture2dLayout } from '../../../mol-repr/volume/util';
import { Color } from '../../../mol-util/color';
export function calcMeshColorSmoothing(input, resolution, stride, webgl, texture) {
var colorType = input.colorType, vertexCount = input.vertexCount, groupCount = input.groupCount, positionBuffer = input.positionBuffer, transformBuffer = input.transformBuffer, groupBuffer = input.groupBuffer;
var isInstanceType = colorType.endsWith('Instance');
var box = Box3D.fromSphere3D(Box3D(), isInstanceType ? input.boundingSphere : input.invariantBoundingSphere);
var scaleFactor = 1 / resolution;
var scaledBox = Box3D.scale(Box3D(), box, scaleFactor);
var gridDim = Box3D.size(Vec3(), scaledBox);
Vec3.ceil(gridDim, gridDim);
Vec3.add(gridDim, gridDim, Vec3.create(2, 2, 2));
var min = box.min;
var xn = gridDim[0], yn = gridDim[1];
var _a = getVolumeTexture2dLayout(gridDim), width = _a.width, height = _a.height;
// console.log({ width, height, dim });
var itemSize = 3;
var data = new Float32Array(width * height * itemSize);
var count = new Float32Array(width * height);
var grid = new Uint8Array(width * height * itemSize);
var textureImage = { array: grid, width: width, height: height, filter: 'linear' };
var instanceCount = isInstanceType ? input.instanceCount : 1;
var colors = input.colorData.array;
function getIndex(x, y, z) {
var column = Math.floor(((z * xn) % width) / xn);
var row = Math.floor((z * xn) / width);
var px = column * xn + x;
return itemSize * ((row * yn * width) + (y * width) + px);
}
var p = 2;
var dimX = gridDim[0], dimY = gridDim[1], dimZ = gridDim[2];
var v = Vec3();
for (var i = 0; i < instanceCount; ++i) {
for (var j = 0; j < vertexCount; j += stride) {
Vec3.fromArray(v, positionBuffer, j * 3);
if (isInstanceType)
Vec3.transformMat4Offset(v, v, transformBuffer, 0, 0, i * 16);
Vec3.sub(v, v, min);
Vec3.scale(v, v, scaleFactor);
var vx = v[0], vy = v[1], vz = v[2];
// vertex mapped to grid
var x = Math.floor(vx);
var y = Math.floor(vy);
var z = Math.floor(vz);
// group colors
var ci = i * groupCount + groupBuffer[j];
var r = colors[ci * 3];
var g = colors[ci * 3 + 1];
var b = colors[ci * 3 + 2];
// Extents of grid to consider for this atom
var begX = Math.max(0, x - p);
var begY = Math.max(0, y - p);
var begZ = Math.max(0, z - p);
// Add two to these points:
// - x, y, z are floor'd values so this ensures coverage
// - these are loop limits (exclusive)
var endX = Math.min(dimX, x + p + 2);
var endY = Math.min(dimY, y + p + 2);
var endZ = Math.min(dimZ, z + p + 2);
for (var xi = begX; xi < endX; ++xi) {
var dx = xi - vx;
for (var yi = begY; yi < endY; ++yi) {
var dy = yi - vy;
for (var zi = begZ; zi < endZ; ++zi) {
var dz = zi - vz;
var d = Math.sqrt(dx * dx + dy * dy + dz * dz);
if (d > p)
continue;
var s = p - d;
var index = getIndex(xi, yi, zi);
data[index] += r * s;
data[index + 1] += g * s;
data[index + 2] += b * s;
count[index / 3] += s;
}
}
}
}
}
for (var i = 0, il = count.length; i < il; ++i) {
var i3 = i * 3;
var c = count[i];
grid[i3] = Math.round(data[i3] / c);
grid[i3 + 1] = Math.round(data[i3 + 1] / c);
grid[i3 + 2] = Math.round(data[i3 + 2] / c);
}
var gridTexDim = Vec2.create(width, height);
var gridTransform = Vec4.create(min[0], min[1], min[2], scaleFactor);
var type = isInstanceType ? 'volumeInstance' : 'volume';
if (webgl) {
if (!texture)
texture = webgl.resources.texture('image-uint8', 'rgb', 'ubyte', 'linear');
texture.load(textureImage);
return { kind: 'volume', texture: texture, gridTexDim: gridTexDim, gridDim: gridDim, gridTransform: gridTransform, type: type };
}
else {
var interpolated = getTrilinearlyInterpolated({ vertexCount: vertexCount, instanceCount: instanceCount, transformBuffer: transformBuffer, positionBuffer: positionBuffer, colorType: type, grid: grid, gridDim: gridDim, gridTexDim: gridTexDim, gridTransform: gridTransform, vertexStride: 3, colorStride: 3 });
return {
kind: 'vertex',
texture: interpolated,
texDim: Vec2.create(interpolated.width, interpolated.height),
type: isInstanceType ? 'vertexInstance' : 'vertex'
};
}
}
export function getTrilinearlyInterpolated(input) {
var vertexCount = input.vertexCount, positionBuffer = input.positionBuffer, transformBuffer = input.transformBuffer, grid = input.grid, gridDim = input.gridDim, gridTexDim = input.gridTexDim, gridTransform = input.gridTransform, vertexStride = input.vertexStride, colorStride = input.colorStride;
var isInstanceType = input.colorType.endsWith('Instance');
var instanceCount = isInstanceType ? input.instanceCount : 1;
var image = createTextureImage(Math.max(1, instanceCount * vertexCount), 3, Uint8Array);
var array = image.array;
var xn = gridDim[0], yn = gridDim[1];
var width = gridTexDim[0];
var min = Vec3.fromArray(Vec3(), gridTransform, 0);
var scaleFactor = gridTransform[3];
function getIndex(x, y, z) {
var column = Math.floor(((z * xn) % width) / xn);
var row = Math.floor((z * xn) / width);
var px = column * xn + x;
return colorStride * ((row * yn * width) + (y * width) + px);
}
var v = Vec3();
var v0 = Vec3();
var v1 = Vec3();
var vd = Vec3();
for (var i = 0; i < instanceCount; ++i) {
for (var j = 0; j < vertexCount; ++j) {
Vec3.fromArray(v, positionBuffer, j * vertexStride);
if (isInstanceType)
Vec3.transformMat4Offset(v, v, transformBuffer, 0, 0, i * 16);
Vec3.sub(v, v, min);
Vec3.scale(v, v, scaleFactor);
Vec3.floor(v0, v);
Vec3.ceil(v1, v);
Vec3.sub(vd, v, v0);
Vec3.sub(v, v1, v0);
Vec3.div(vd, vd, v);
var x0 = v0[0], y0 = v0[1], z0 = v0[2];
var x1 = v1[0], y1 = v1[1], z1 = v1[2];
var xd = vd[0], yd = vd[1], zd = vd[2];
var s000 = Color.fromArray(grid, getIndex(x0, y0, z0));
var s100 = Color.fromArray(grid, getIndex(x1, y0, z0));
var s001 = Color.fromArray(grid, getIndex(x0, y0, z1));
var s101 = Color.fromArray(grid, getIndex(x1, y0, z1));
var s010 = Color.fromArray(grid, getIndex(x0, y1, z0));
var s110 = Color.fromArray(grid, getIndex(x1, y1, z0));
var s011 = Color.fromArray(grid, getIndex(x0, y1, z1));
var s111 = Color.fromArray(grid, getIndex(x1, y1, z1));
var s00 = Color.interpolate(s000, s100, xd);
var s01 = Color.interpolate(s001, s101, xd);
var s10 = Color.interpolate(s010, s110, xd);
var s11 = Color.interpolate(s011, s111, xd);
var s0 = Color.interpolate(s00, s10, yd);
var s1 = Color.interpolate(s01, s11, yd);
Color.toArray(Color.interpolate(s0, s1, zd), array, (i * vertexCount + j) * 3);
}
}
return image;
}
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