/** * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose */ import { createTextureImage, TextureImage } from '../../../mol-gl/renderable/util'; import { WebGLContext } from '../../../mol-gl/webgl/context'; import { Texture } from '../../../mol-gl/webgl/texture'; import { Box3D, Sphere3D } 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'; interface ColorSmoothingInput { vertexCount: number instanceCount: number groupCount: number transformBuffer: Float32Array instanceBuffer: Float32Array positionBuffer: Float32Array groupBuffer: Float32Array colorData: TextureImage colorType: 'group' | 'groupInstance' boundingSphere: Sphere3D invariantBoundingSphere: Sphere3D } export function calcMeshColorSmoothing(input: ColorSmoothingInput, resolution: number, stride: number, webgl?: WebGLContext, texture?: Texture) { const { colorType, vertexCount, groupCount, positionBuffer, transformBuffer, groupBuffer } = input; const isInstanceType = colorType.endsWith('Instance'); const box = Box3D.fromSphere3D(Box3D(), isInstanceType ? input.boundingSphere : input.invariantBoundingSphere); const scaleFactor = 1 / resolution; const scaledBox = Box3D.scale(Box3D(), box, scaleFactor); const gridDim = Box3D.size(Vec3(), scaledBox); Vec3.ceil(gridDim, gridDim); Vec3.add(gridDim, gridDim, Vec3.create(2, 2, 2)); const { min } = box; const [ xn, yn ] = gridDim; const { width, height } = getVolumeTexture2dLayout(gridDim); // console.log({ width, height, dim }); const itemSize = 3; const data = new Float32Array(width * height * itemSize); const count = new Float32Array(width * height); const grid = new Uint8Array(width * height * itemSize); const textureImage: TextureImage = { array: grid, width, height, filter: 'linear' }; const instanceCount = isInstanceType ? input.instanceCount : 1; const colors = input.colorData.array; function getIndex(x: number, y: number, z: number) { const column = Math.floor(((z * xn) % width) / xn); const row = Math.floor((z * xn) / width); const px = column * xn + x; return itemSize * ((row * yn * width) + (y * width) + px); } const p = 2; const [dimX, dimY, dimZ] = gridDim; const v = Vec3(); for (let i = 0; i < instanceCount; ++i) { for (let 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); const [vx, vy, vz] = v; // vertex mapped to grid const x = Math.floor(vx); const y = Math.floor(vy); const z = Math.floor(vz); // group colors const ci = i * groupCount + groupBuffer[j]; const r = colors[ci * 3]; const g = colors[ci * 3 + 1]; const b = colors[ci * 3 + 2]; // Extents of grid to consider for this atom const begX = Math.max(0, x - p); const begY = Math.max(0, y - p); const 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) const endX = Math.min(dimX, x + p + 2); const endY = Math.min(dimY, y + p + 2); const endZ = Math.min(dimZ, z + p + 2); for (let xi = begX; xi < endX; ++xi) { const dx = xi - vx; for (let yi = begY; yi < endY; ++yi) { const dy = yi - vy; for (let zi = begZ; zi < endZ; ++zi) { const dz = zi - vz; const d = Math.sqrt(dx * dx + dy * dy + dz * dz); if (d > p) continue; let s = p - d; const index = getIndex(xi, yi, zi); data[index] += r * s; data[index + 1] += g * s; data[index + 2] += b * s; count[index / 3] += s; } } } } } for (let i = 0, il = count.length; i < il; ++i) { const i3 = i * 3; const 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); } const gridTexDim = Vec2.create(width, height); const gridTransform = Vec4.create(min[0], min[1], min[2], scaleFactor); const type = isInstanceType ? 'volumeInstance' as const : 'volume' as const; if (webgl) { if (!texture) texture = webgl.resources.texture('image-uint8', 'rgb', 'ubyte', 'linear'); texture.load(textureImage); return { kind: 'volume' as const, texture, gridTexDim, gridDim, gridTransform, type }; } else { const interpolated = getTrilinearlyInterpolated({ vertexCount, instanceCount, transformBuffer, positionBuffer, colorType: type, grid, gridDim, gridTexDim, gridTransform, vertexStride: 3, colorStride: 3 }); return { kind: 'vertex' as const, texture: interpolated, texDim: Vec2.create(interpolated.width, interpolated.height), type: isInstanceType ? 'vertexInstance' : 'vertex' }; } } // interface ColorInterpolationInput { vertexCount: number instanceCount: number transformBuffer: Float32Array positionBuffer: Float32Array colorType: 'volumeInstance' | 'volume' grid: Uint8Array // 2d layout gridTexDim: Vec2 gridDim: Vec3 gridTransform: Vec4 vertexStride: number colorStride: number } export function getTrilinearlyInterpolated(input: ColorInterpolationInput): TextureImage { const { vertexCount, positionBuffer, transformBuffer, grid, gridDim, gridTexDim, gridTransform, vertexStride, colorStride } = input; const isInstanceType = input.colorType.endsWith('Instance'); const instanceCount = isInstanceType ? input.instanceCount : 1; const image = createTextureImage(Math.max(1, instanceCount * vertexCount), 3, Uint8Array); const { array } = image; const [xn, yn] = gridDim; const width = gridTexDim[0]; const min = Vec3.fromArray(Vec3(), gridTransform, 0); const scaleFactor = gridTransform[3]; function getIndex(x: number, y: number, z: number) { const column = Math.floor(((z * xn) % width) / xn); const row = Math.floor((z * xn) / width); const px = column * xn + x; return colorStride * ((row * yn * width) + (y * width) + px); } const v = Vec3(); const v0 = Vec3(); const v1 = Vec3(); const vd = Vec3(); for (let i = 0; i < instanceCount; ++i) { for (let 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); const [x0, y0, z0] = v0; const [x1, y1, z1] = v1; const [xd, yd, zd] = vd; const s000 = Color.fromArray(grid, getIndex(x0, y0, z0)); const s100 = Color.fromArray(grid, getIndex(x1, y0, z0)); const s001 = Color.fromArray(grid, getIndex(x0, y0, z1)); const s101 = Color.fromArray(grid, getIndex(x1, y0, z1)); const s010 = Color.fromArray(grid, getIndex(x0, y1, z0)); const s110 = Color.fromArray(grid, getIndex(x1, y1, z0)); const s011 = Color.fromArray(grid, getIndex(x0, y1, z1)); const s111 = Color.fromArray(grid, getIndex(x1, y1, z1)); const s00 = Color.interpolate(s000, s100, xd); const s01 = Color.interpolate(s001, s101, xd); const s10 = Color.interpolate(s010, s110, xd); const s11 = Color.interpolate(s011, s111, xd); const s0 = Color.interpolate(s00, s10, yd); const s1 = Color.interpolate(s01, s11, yd); Color.toArray(Color.interpolate(s0, s1, zd), array, (i * vertexCount + j) * 3); } } return image; }