wip grid3d renderable

src/mol-gl/compute/grid3d-compute.ts

@@ -0,0 +1,176 @@
+/**
+ * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import { RenderableSchema, Values, KindValue, UniformSpec, TextureSpec, DefineSpec, RenderableValues } from '../renderable/schema';
+import { WebGLContext } from '../webgl/context';
+import { getRegularGrid3dDelta, RegularGrid3d } from '../../mol-math/geometry/common';
+import shader_template from '../shader/util/grid3d-template.frag';
+import quad_vert from '../shader/quad.vert';
+import { ShaderCode } from '../shader-code';
+import { UUID, ValueCell } from '../../mol-util';
+import { objectForEach } from '../../mol-util/object';
+import { getUniformGlslType, isUniformValueScalar } from '../webgl/uniform';
+import { QuadSchema, QuadValues } from './util';
+import { createComputeRenderItem } from '../webgl/render-item';
+import { createComputeRenderable } from '../renderable';
+import { isLittleEndian } from '../../mol-util/is-little-endian';
+import { RuntimeContext } from '../../mol-task';
+
+export interface Grid3DComputeRenderableSpec<S extends RenderableSchema, P, CS> {
+    schema: S,
+    // indicate which params are loop bounds for WebGL1 compat
+    loopBounds?: (keyof S)[]
+    utilCode?: string,
+    mainCode: string,
+    returnCode: string,
+
+    values(params: P, grid: RegularGrid3d): SchemaValues<S>,
+
+    cumulative?: {
+        init(params: P, values: SchemaValues<S>): CS,
+        next(params: P, state: CS, values: Values<S>): boolean
+    }
+}
+
+type SchemaValues<S extends RenderableSchema> = { readonly [k in keyof S]: KindValue[S[k]['kind']] }
+
+const FrameBufferName = 'grid3d-computable' as const;
+const Texture0Name = 'grid3d-computable-0' as const;
+const Texture1Name = 'grid3d-computable-1' as const;
+
+const SchemaBase = {
+    ...QuadSchema,
+    uDimensions: UniformSpec('v3'),
+    uMin: UniformSpec('v3'),
+    uDelta: UniformSpec('v3'),
+    uWidth: UniformSpec('f'),
+    uLittleEndian: UniformSpec('b'),
+};
+
+const CumulativeSumSchema = {
+    tCumulativeSum: TextureSpec('texture', 'rgba', 'ubyte', 'nearest')
+};
+
+export function createGrid3dComputable<S extends RenderableSchema, P, CS>(spec: Grid3DComputeRenderableSpec<S, P, CS>) {
+    const id = UUID.create22();
+
+    const uniforms: string[] = [];
+
+    objectForEach(spec.schema, (u, k) => {
+        if (u.type === 'define') return;
+        if (u.kind.indexOf('[]') >= 0) throw new Error('array uniforms are not supported');
+        const isBound = (spec.loopBounds?.indexOf(k) ?? -1) >= 0;
+        if (isBound) uniforms.push(`#ifndef ${k}`);
+        uniforms.push(`uniform ${getUniformGlslType(u.kind as any)} ${k};`);
+        if (isBound) uniforms.push(`#endif`);
+    });
+
+    const code = shader_template
+        .replace('{UNIFORMS}', uniforms.join('\n'))
+        .replace('{UTILS}', spec.utilCode ?? '')
+        .replace('{MAIN}', spec.mainCode)
+        .replace('{RETURN}', spec.returnCode);
+
+    const shader = ShaderCode(id, quad_vert, code);
+
+    return async (ctx: RuntimeContext, webgl: WebGLContext, grid: RegularGrid3d, params: P) => {
+        const schema: RenderableSchema = {
+            ...SchemaBase,
+            ...(spec.cumulative ? CumulativeSumSchema : {}),
+            ...spec.schema,
+        };
+
+        if (!webgl.isWebGL2) {
+            if (spec.loopBounds) {
+                for (const b of spec.loopBounds) {
+                    (schema as any)[b] = DefineSpec('number');
+                }
+            }
+            (schema as any)['WEBGL1'] = DefineSpec('boolean');
+        }
+
+        if (spec.cumulative) {
+            (schema as any)['CUMULATIVE'] = DefineSpec('boolean');
+        }
+
+        if (!webgl.namedFramebuffers[FrameBufferName]) {
+            webgl.namedFramebuffers[FrameBufferName] = webgl.resources.framebuffer();
+        }
+        const framebuffer = webgl.namedFramebuffers[FrameBufferName];
+
+        if (!webgl.namedTextures[Texture0Name]) {
+            webgl.namedTextures[Texture0Name] = webgl.resources.texture('image-uint8', 'rgba', 'ubyte', 'nearest');
+        }
+        if (spec.cumulative && !webgl.namedTextures[Texture1Name]) {
+            webgl.namedTextures[Texture1Name] = webgl.resources.texture('image-uint8', 'rgba', 'ubyte', 'nearest');
+        }
+
+        const tex = [webgl.namedTextures[Texture0Name], webgl.namedTextures[Texture1Name]];
+
+        const [nx, ny, nz] = grid.dimensions;
+        const uWidth = Math.ceil(Math.sqrt(nx * ny * nz));
+
+        const values: SchemaValues<S & typeof SchemaBase> = {
+            ...QuadValues,
+            uDimensions: grid.dimensions,
+            uMin: grid.box.min,
+            uDelta: getRegularGrid3dDelta(grid),
+            uWidth,
+            uLittleEndian: isLittleEndian(),
+            ...spec.values(params, grid)
+        } as any;
+
+        if (!webgl.isWebGL2) {
+            (values as any).WEBGL1 = true;
+        }
+        if (spec.cumulative) {
+            (values as any).tCumulativeSum = tex[0];
+            (values as any).CUMULATIVE = true;
+        }
+
+        let renderable = webgl.namedComputeRenderables[id];
+        if (renderable) {
+            const cells = renderable.values as RenderableValues;
+            objectForEach(values, (c, k) => {
+                const s = schema[k];
+                if (s?.type === 'value' || s?.type === 'attribute') return;
+
+                if (!s || !isUniformValueScalar(s.kind as any)) {
+                    ValueCell.update(cells[k], c);
+                } else {
+                    ValueCell.updateIfChanged(cells[k], c);
+                }
+            });
+        } else {
+            const cells = {} as any;
+            objectForEach(values, (v, k) => cells[k] = ValueCell.create(v));
+            renderable = createComputeRenderable(createComputeRenderItem(webgl, 'triangles', shader, schema, cells), cells);
+        }
+
+        if (spec.cumulative) {
+            throw new Error('nyi');
+        } else {
+            tex[0].attachFramebuffer(framebuffer, 'color0');
+            framebuffer.bind();
+            resetGl(webgl, uWidth);
+            renderable.render();
+        }
+
+        const array = new Uint8Array(uWidth * uWidth * 4);
+        webgl.readPixels(0, 0, uWidth, uWidth, array);
+        return new Float32Array(array.buffer, array.byteOffset, nx * ny * nz);
+    };
+}
+
+function resetGl(webgl: WebGLContext, w: number) {
+    const { gl, state } = webgl;
+    gl.viewport(0, 0, w, w);
+    gl.scissor(0, 0, w, w);
+    state.disable(gl.SCISSOR_TEST);
+    state.disable(gl.BLEND);
+    state.disable(gl.DEPTH_TEST);
+    state.depthMask(false);
+}

src/mol-gl/shader/util/grid3d-template.frag.ts

@@ -0,0 +1,181 @@
+/**
+ * Copyright (c) 2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+export default `
+precision highp float;
+precision highp int;
+precision highp sampler2D;
+
+uniform vec2 uQuadShift;
+uniform vec3 uDimensions;
+uniform vec3 uMin;
+uniform vec3 uDelta;
+uniform bool uLittleEndian;
+uniform float uWidth;
+
+#ifdef CUMULATIVE
+uniform sampler2D tCumulativeSum;
+#endif
+
+{UNIFORMS}
+
+{UTILS}
+
+//////////////////////////////////////////////////////////
+
+// floatToRgba adapted from https://github.com/equinor/glsl-float-to-rgba
+// MIT License, Copyright (c) 2020 Equinor
+
+float shiftRight (float v, float amt) {
+  v = floor(v) + 0.5;
+  return floor(v / exp2(amt));
+}
+float shiftLeft (float v, float amt) {
+    return floor(v * exp2(amt) + 0.5);
+}
+float maskLast (float v, float bits) {
+    return mod(v, shiftLeft(1.0, bits));
+}
+float extractBits (float num, float from, float to) {
+    from = floor(from + 0.5); to = floor(to + 0.5);
+    return maskLast(shiftRight(num, from), to - from);
+}
+
+vec4 floatToRgba(float texelFloat) {
+    if (texelFloat == 0.0) return vec4(0, 0, 0, 0);
+    float sign = texelFloat > 0.0 ? 0.0 : 1.0;
+    texelFloat = abs(texelFloat);
+    float exponent = floor(log2(texelFloat));
+    float biased_exponent = exponent + 127.0;
+    float fraction = ((texelFloat / exp2(exponent)) - 1.0) * 8388608.0;
+    float t = biased_exponent / 2.0;
+    float last_bit_of_biased_exponent = fract(t) * 2.0;
+    float remaining_bits_of_biased_exponent = floor(t);
+    float byte4 = extractBits(fraction, 0.0, 8.0) / 255.0;
+    float byte3 = extractBits(fraction, 8.0, 16.0) / 255.0;
+    float byte2 = (last_bit_of_biased_exponent * 128.0 + extractBits(fraction, 16.0, 23.0)) / 255.0;
+    float byte1 = (sign * 128.0 + remaining_bits_of_biased_exponent) / 255.0;
+    return (
+        uLittleEndian
+            ? vec4(byte4, byte3, byte2, byte1)
+            : vec4(byte1, byte2, byte3, byte4)
+    );
+}
+
+///////////////////////////////////////////////////////
+
+// rgbaToFloat adapted from https://github.com/ihmeuw/glsl-rgba-to-float
+// BSD 3-Clause License
+//
+// Copyright (c) 2019, Institute for Health Metrics and Evaluation All rights reserved.
+// Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
+//  - Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
+//  - Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
+//  - Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES,
+// INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.
+// IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY,
+// OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA,
+// OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+// OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED
+// OF THE POSSIBILITY OF SUCH DAMAGE.
+
+#ifdef CUMULATIVE
+
+ivec4 floatsToBytes(vec4 inputFloats) {
+  ivec4 bytes = ivec4(inputFloats * 255.0);
+  return (
+    uLittleEndian
+    ? bytes.abgr
+    : bytes
+  );
+}
+
+// Break the four bytes down into an array of 32 bits.
+void bytesToBits(const in ivec4 bytes, out bool bits[32]) {
+  for (int channelIndex = 0; channelIndex < 4; ++channelIndex) {
+    float acc = float(bytes[channelIndex]);
+    for (int indexInByte = 7; indexInByte >= 0; --indexInByte) {
+      float powerOfTwo = exp2(float(indexInByte));
+      bool bit = acc >= powerOfTwo;
+      bits[channelIndex * 8 + (7 - indexInByte)] = bit;
+      acc = mod(acc, powerOfTwo);
+    }
+  }
+}
+
+// Compute the exponent of the 32-bit float.
+float getExponent(bool bits[32]) {
+  const int startIndex = 1;
+  const int bitStringLength = 8;
+  const int endBeforeIndex = startIndex + bitStringLength;
+  float acc = 0.0;
+  int pow2 = bitStringLength - 1;
+  for (int bitIndex = startIndex; bitIndex < endBeforeIndex; ++bitIndex) {
+    acc += float(bits[bitIndex]) * exp2(float(pow2--));
+  }
+  return acc;
+}
+
+// Compute the mantissa of the 32-bit float.
+float getMantissa(bool bits[32], bool subnormal) {
+  const int startIndex = 9;
+  const int bitStringLength = 23;
+  const int endBeforeIndex = startIndex + bitStringLength;
+  // Leading/implicit/hidden bit convention:
+  // If the number is not subnormal (with exponent 0), we add a leading 1 digit.
+  float acc = float(!subnormal) * exp2(float(bitStringLength));
+  int pow2 = bitStringLength - 1;
+  for (int bitIndex = startIndex; bitIndex < endBeforeIndex; ++bitIndex) {
+    acc += float(bits[bitIndex]) * exp2(float(pow2--));
+  }
+  return acc;
+}
+
+// Parse the float from its 32 bits.
+float bitsToFloat(bool bits[32]) {
+  float signBit = float(bits[0]) * -2.0 + 1.0;
+  float exponent = getExponent(bits);
+  bool subnormal = abs(exponent - 0.0) < 0.01;
+  float mantissa = getMantissa(bits, subnormal);
+  float exponentBias = 127.0;
+  return signBit * mantissa * exp2(exponent - exponentBias - 23.0);
+}
+
+float rgbaToFloat(vec4 texelRGBA) {
+  ivec4 rgbaBytes = floatsToBytes(texelRGBA);
+  bool bits[32];
+  bytesToBits(rgbaBytes, bits);
+  return bitsToFloat(bits);
+}
+
+#endif
+
+///////////////////////////////////////////////////////
+
+float intDiv(float a, float b) { return float(int(a) / int(b)); }
+float intMod(float a, float b) { return a - b * float(int(a) / int(b)); }
+
+void main(void) {
+    float offset = floor(gl_FragCoord.x) + floor(gl_FragCoord.y) * uWidth;
+
+    // axis order fast to slow Z, Y, X
+    // TODO: support arbitrary axis orders?
+    float k = intMod(offset, uDimensions.z), kk = intDiv(offset, uDimensions.z);
+    float j = intMod(kk, uDimensions.y);
+    float i = intDiv(kk, uDimensions.y);
+
+    vec3 xyz = uMin + uDelta * vec3(i, j, k);
+
+    {MAIN}
+
+    #ifdef CUMULATIVE
+        float current = rgbaToFloat(texture2D(tCumulativeSum, gl_FragCoord.xy / vec2(uWidth, uWidth)));
+    #endif
+    gl_FragColor = floatToRgba({RETURN});
+}
+`;

src/mol-gl/webgl/uniform.ts

@@ -79,4 +79,30 @@ export function getUniformSetters(schema: RenderableSchema) {
         }
     });
     return setters;
+}
+
+export function getUniformGlslType(kind: UniformKind): string {
+    switch (kind) {
+        case 'f': return 'float';
+        case 'i': return 'int';
+        case 't': return 'sampler2D';
+        case 'b': return 'bool';
+        case 'v2': return 'vec2';
+        case 'v3': return 'vec3';
+        case 'v4': return 'vec4';
+        case 'm3': return 'mat3';
+        case 'm4': return 'mat4';
+    }
+    throw new Error(`${kind} has no primitive GLSL type.`);
+}
+
+export function isUniformValueScalar(kind: UniformKind): boolean {
+    switch (kind) {
+        case 'f':
+        case 'i':
+        case 'b':
+            return true;
+        default:
+            return false;
+    }
 }

src/mol-math/geometry/common.ts

@@ -37,6 +37,15 @@ export type DensityTextureData = {
     gridTexScale: Vec2
 }
 
+export interface RegularGrid3d {
+    box: Box3D,
+    dimensions: Vec3
+}
+
+export function getRegularGrid3dDelta({ box, dimensions }: RegularGrid3d) {
+    return Vec3.div(Vec3(), Box3D.size(Vec3(), box), Vec3.subScalar(Vec3(), dimensions, 1));
+}
+
 export function fillGridDim(length: number, start: number, step: number) {
     const a = new Float32Array(length);
     for (let i = 0; i < a.length; i++) {