From c1408cfad2063a9e946075e2520902f22cd8e8cb Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Tue, 19 Mar 2019 16:53:26 -0700
Subject: [PATCH] gaussian density api tweaks
---
src/mol-math/geometry/gaussian-density.ts | 17 ++++++++-
src/mol-math/geometry/gaussian-density/gpu.ts | 37 ++++++++++++-------
2 files changed, 39 insertions(+), 15 deletions(-)
diff --git a/src/mol-math/geometry/gaussian-density.ts b/src/mol-math/geometry/gaussian-density.ts
index de185d458..0493f1d21 100644
--- a/src/mol-math/geometry/gaussian-density.ts
+++ b/src/mol-math/geometry/gaussian-density.ts
@@ -11,6 +11,7 @@ import { PositionData, DensityData } from './common';
import { GaussianDensityCPU } from './gaussian-density/cpu';
import { WebGLContext } from 'mol-gl/webgl/context';
import { Texture } from 'mol-gl/webgl/texture';
+import { GaussianDensityTexture2d, GaussianDensityTexture3d } from './gaussian-density/gpu';
// import { GaussianDensityGPU, GaussianDensityTexture } from './gaussian-density/gpu';
const GaussianDensityGPU = typeof document !== 'undefined'
@@ -58,8 +59,22 @@ export async function GaussianDensity(ctx: RuntimeContext, position: PositionDat
}
export function computeGaussianDensityTexture(position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, webgl: WebGLContext, texture?: Texture) {
+ return _computeGaussianDensityTexture(webgl.isWebGL2 ? '3d' : '2d', position, box, radius, props, webgl, texture)
+}
+
+export function computeGaussianDensityTexture2d(position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, webgl: WebGLContext, texture?: Texture) {
+ return _computeGaussianDensityTexture('2d', position, box, radius, props, webgl, texture)
+}
+
+export function computeGaussianDensityTexture3d(position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, webgl: WebGLContext, texture?: Texture) {
+ return _computeGaussianDensityTexture('2d', position, box, radius, props, webgl, texture)
+}
+
+function _computeGaussianDensityTexture(type: '2d' | '3d', position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, webgl: WebGLContext, texture?: Texture) {
if (!GaussianDensityTexture) throw 'GPU computation not supported on this platform';
return Task.create('Gaussian Density', async ctx => {
- return await GaussianDensityTexture(ctx, webgl, position, box, radius, props, texture);
+ return type === '2d' ?
+ await GaussianDensityTexture2d(ctx, webgl, position, box, radius, props, texture) :
+ await GaussianDensityTexture3d(ctx, webgl, position, box, radius, props, texture);
});
}
\ No newline at end of file
diff --git a/src/mol-math/geometry/gaussian-density/gpu.ts b/src/mol-math/geometry/gaussian-density/gpu.ts
index e8e53812e..83e73392a 100644
--- a/src/mol-math/geometry/gaussian-density/gpu.ts
+++ b/src/mol-math/geometry/gaussian-density/gpu.ts
@@ -57,34 +57,43 @@ export async function GaussianDensityGPU(ctx: RuntimeContext, position: Position
// always use texture2d when the gaussian density needs to be downloaded from the GPU,
// it's faster than texture3d
// console.time('GaussianDensityTexture2d')
- const { scale, bbox, texture, dim } = await GaussianDensityTexture2d(ctx, webgl, position, box, radius, props)
+ const { scale, bbox, texture, dim } = await calcGaussianDensityTexture2d(ctx, webgl, position, box, radius, props)
// console.timeEnd('GaussianDensityTexture2d')
const { field, idField } = await fieldFromTexture2d(webgl, texture, dim)
- const transform = Mat4.identity()
- Mat4.fromScaling(transform, scale)
- Mat4.setTranslation(transform, bbox.min)
-
- return { field, idField, transform }
+ return { field, idField, transform: getTransform(scale, bbox) }
}
export async function GaussianDensityTexture(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, oldTexture?: Texture): Promise<DensityTextureData> {
- // console.time(`GaussianDensityTexture, ${webgl.isWebGL2 ? '3d' : '2d'}`)
- const { texture, scale, bbox, dim } = webgl.isWebGL2 ?
+ return webgl.isWebGL2 ?
await GaussianDensityTexture3d(ctx, webgl, position, box, radius, props, oldTexture) :
await GaussianDensityTexture2d(ctx, webgl, position, box, radius, props, oldTexture)
- // console.timeEnd(`GaussianDensityTexture, ${webgl.isWebGL2 ? '3d' : '2d'}`)
+}
+
+export async function GaussianDensityTexture2d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, oldTexture?: Texture): Promise<DensityTextureData> {
+ return finalizeGaussianDensityTexture(await calcGaussianDensityTexture2d(ctx, webgl, position, box, radius, props, oldTexture))
+}
+export async function GaussianDensityTexture3d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, oldTexture?: Texture): Promise<DensityTextureData> {
+ return finalizeGaussianDensityTexture(await calcGaussianDensityTexture3d(ctx, webgl, position, box, radius, props, oldTexture))
+}
+
+function finalizeGaussianDensityTexture({ texture, scale, bbox, dim }: GaussianDensityTextureData): DensityTextureData {
+ return { transform: getTransform(scale, bbox), texture, bbox, gridDimension: dim }
+}
+
+function getTransform(scale: Vec3, bbox: Box3D) {
const transform = Mat4.identity()
Mat4.fromScaling(transform, scale)
Mat4.setTranslation(transform, bbox.min)
-
- return { transform, texture, bbox, gridDimension: dim }
+ return transform
}
//
-async function GaussianDensityTexture2d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture) {
+type GaussianDensityTextureData = { texture: Texture, scale: Vec3, bbox: Box3D, dim: Vec3}
+
+async function calcGaussianDensityTexture2d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture): Promise<GaussianDensityTextureData> {
const { smoothness } = props
const { drawCount, positions, radii, groups, delta, expandedBox, dim } = await prepareGaussianDensityData(ctx, position, box, radius, props)
@@ -144,7 +153,7 @@ async function GaussianDensityTexture2d(ctx: RuntimeContext, webgl: WebGLContext
return { texture, scale: Vec3.inverse(Vec3.zero(), delta), bbox: expandedBox, dim }
}
-async function GaussianDensityTexture3d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture) {
+async function calcGaussianDensityTexture3d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture): Promise<GaussianDensityTextureData> {
const { smoothness } = props
const { drawCount, positions, radii, groups, delta, expandedBox, dim } = await prepareGaussianDensityData(ctx, position, box, radius, props)
@@ -340,7 +349,7 @@ async function fieldFromTexture2d(ctx: WebGLContext, texture: Texture, dim: Vec3
// await ctx.readPixelsAsync(0, 0, width, height, image)
ctx.readPixels(0, 0, width, height, image)
- // debugTexture(createImageData(image, width, height), 1/3)
+ // printImageData(createImageData(image, width, height), 1/3)
let j = 0
let tmpCol = 0
--
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