diff --git a/src/mol-math/geometry/gaussian-density.ts b/src/mol-math/geometry/gaussian-density.ts
index 9e4cc3ddede86891e0ce29b0947cb9930cb777f8..e152830cc6117c7b52ca146a3c836241ecaafbb2 100644
--- a/src/mol-math/geometry/gaussian-density.ts
+++ b/src/mol-math/geometry/gaussian-density.ts
@@ -43,7 +43,7 @@ export async function GaussianDensity(ctx: RuntimeContext, position: PositionDat
if (props.useGpu) {
if (!GaussianDensityGPU) throw 'GPU computation not supported on this platform';
if (!webgl) throw 'No WebGL context provided';
- return await GaussianDensityGPU(ctx, position, box, radius, props, webgl)
+ return GaussianDensityGPU(position, box, radius, props, webgl)
} else {
return await GaussianDensityCPU(ctx, position, box, radius, props)
}
@@ -65,7 +65,7 @@ function _computeGaussianDensityTexture(type: '2d' | '3d', position: PositionDat
if (!GaussianDensityTexture) throw 'GPU computation not supported on this platform';
return Task.create('Gaussian Density', async ctx => {
return type === '2d' ?
- await GaussianDensityTexture2d(ctx, webgl, position, box, radius, props, texture) :
- await GaussianDensityTexture3d(ctx, webgl, position, box, radius, props, texture);
+ GaussianDensityTexture2d(webgl, position, box, radius, props, texture) :
+ GaussianDensityTexture3d(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 2a1f76db3dddac7be25e693d7df05975fd54904d..5159ae4ff81a09e07f5a5c9500aeb07badfb88f9 100644
--- a/src/mol-math/geometry/gaussian-density/gpu.ts
+++ b/src/mol-math/geometry/gaussian-density/gpu.ts
@@ -5,7 +5,6 @@
* @author Michael Krone <michael.krone@uni-tuebingen.de>
*/
-import { RuntimeContext } from 'mol-task'
import { PositionData, DensityData, DensityTextureData } from '../common'
import { Box3D } from '../../geometry'
import { GaussianDensityGPUProps } from '../gaussian-density'
@@ -53,30 +52,30 @@ export const GaussianDensityShaderCode = ShaderCode(
/** name for shared framebuffer used for gpu gaussian surface operations */
const FramebufferName = 'gaussian-density'
-export async function GaussianDensityGPU(ctx: RuntimeContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, webgl: WebGLContext): Promise<DensityData> {
+export function GaussianDensityGPU(position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, webgl: WebGLContext): DensityData {
// 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 calcGaussianDensityTexture2d(ctx, webgl, position, box, radius, props)
+ const { scale, bbox, texture, dim } = calcGaussianDensityTexture2d(webgl, position, box, radius, props)
// webgl.waitForGpuCommandsCompleteSync()
// console.timeEnd('GaussianDensityTexture2d')
- const { field, idField } = await fieldFromTexture2d(webgl, texture, dim)
+ const { field, idField } = fieldFromTexture2d(webgl, texture, dim)
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> {
+export function GaussianDensityTexture(webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, oldTexture?: Texture): DensityTextureData {
return webgl.isWebGL2 ?
- await GaussianDensityTexture3d(ctx, webgl, position, box, radius, props, oldTexture) :
- await GaussianDensityTexture2d(ctx, webgl, position, box, radius, props, oldTexture)
+ GaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture) :
+ GaussianDensityTexture2d(webgl, position, box, radius, props, oldTexture)
}
-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 function GaussianDensityTexture2d(webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, oldTexture?: Texture): DensityTextureData {
+ return finalizeGaussianDensityTexture(calcGaussianDensityTexture2d(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))
+export function GaussianDensityTexture3d(webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, oldTexture?: Texture): DensityTextureData {
+ return finalizeGaussianDensityTexture(calcGaussianDensityTexture3d(webgl, position, box, radius, props, oldTexture))
}
function finalizeGaussianDensityTexture({ texture, scale, bbox, dim }: GaussianDensityTextureData): DensityTextureData {
@@ -94,10 +93,10 @@ function getTransform(scale: Vec3, bbox: Box3D) {
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> {
+function calcGaussianDensityTexture2d(webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture): GaussianDensityTextureData {
const { smoothness } = props
- const { drawCount, positions, radii, groups, delta, expandedBox, dim } = await prepareGaussianDensityData(ctx, position, box, radius, props)
+ const { drawCount, positions, radii, groups, delta, expandedBox, dim } = prepareGaussianDensityData(position, box, radius, props)
const [ dx, dy, dz ] = dim
const { texDimX, texDimY, texCols } = getTexture2dSize(dim)
@@ -148,15 +147,13 @@ async function calcGaussianDensityTexture2d(ctx: RuntimeContext, webgl: WebGLCon
setupGroupIdRendering(webgl, renderable)
render(texture)
- if (ctx.shouldUpdate) await ctx.update({ message: 'gpu gaussian density calculation' })
-
return { texture, scale: Vec3.inverse(Vec3.zero(), delta), bbox: expandedBox, dim }
}
-async function calcGaussianDensityTexture3d(ctx: RuntimeContext, webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture): Promise<GaussianDensityTextureData> {
+function calcGaussianDensityTexture3d(webgl: WebGLContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps, texture?: Texture): GaussianDensityTextureData {
const { smoothness } = props
- const { drawCount, positions, radii, groups, delta, expandedBox, dim } = await prepareGaussianDensityData(ctx, position, box, radius, props)
+ const { drawCount, positions, radii, groups, delta, expandedBox, dim } = prepareGaussianDensityData(position, box, radius, props)
const [ dx, dy, dz ] = dim
const minDistanceTexture = createTexture(webgl, 'volume-float32', 'rgba', 'float', 'nearest')
minDistanceTexture.define(dx, dy, dz)
@@ -193,14 +190,12 @@ async function calcGaussianDensityTexture3d(ctx: RuntimeContext, webgl: WebGLCon
setupGroupIdRendering(webgl, renderable)
render(texture)
- if (ctx.shouldUpdate) await ctx.update({ message: 'gpu gaussian density calculation' });
-
return { texture, scale: Vec3.inverse(Vec3.zero(), delta), bbox: expandedBox, dim }
}
//
-async function prepareGaussianDensityData(ctx: RuntimeContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps) {
+function prepareGaussianDensityData(position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityGPUProps) {
const { resolution, radiusOffset } = props
const { indices, x, y, z } = position
@@ -222,10 +217,6 @@ async function prepareGaussianDensityData(ctx: RuntimeContext, position: Positio
if (maxRadius < r) maxRadius = r
radii[i] = r
groups[i] = i
-
- if (i % 10000 === 0 && ctx.shouldUpdate) {
- await ctx.update({ message: 'preparing density data', current: i, max: n })
- }
}
const pad = maxRadius * 2 + resolution
@@ -237,9 +228,6 @@ async function prepareGaussianDensityData(ctx: RuntimeContext, position: Positio
Vec3.ceil(dim, dim)
const delta = Vec3.div(Vec3(), dim, expandedDim)
- // console.log({ maxRadius, resolution, pad, box, expandedBox, delta })
- // console.log('grid dim gpu', dim)
-
return { drawCount: n, positions, radii, groups, delta, expandedBox, dim }
}
@@ -330,7 +318,7 @@ function getTexture2dSize(gridDim: Vec3) {
return { texDimX, texDimY, texRows, texCols }
}
-export async function fieldFromTexture2d(ctx: WebGLContext, texture: Texture, dim: Vec3) {
+export function fieldFromTexture2d(ctx: WebGLContext, texture: Texture, dim: Vec3) {
// console.time('fieldFromTexture2d')
const { framebufferCache } = ctx
const [ dx, dy, dz ] = dim
@@ -349,8 +337,6 @@ export async function fieldFromTexture2d(ctx: WebGLContext, texture: Texture, di
const framebuffer = framebufferCache.get(FramebufferName).value
framebuffer.bind()
texture.attachFramebuffer(framebuffer, 0)
- // TODO too slow, why? Too many checks if gpu ready???
- // await ctx.readPixelsAsync(0, 0, width, height, image)
ctx.readPixels(0, 0, width, height, image)
// printImageData(createImageData(image, width, height), 1/3)
diff --git a/src/mol-repr/structure/visual/util/gaussian.ts b/src/mol-repr/structure/visual/util/gaussian.ts
index cf5c77264d43e874ea28fd821cd53b3f1971858a..162a634561743b6cc5c08d78402e121d58cc77d7 100644
--- a/src/mol-repr/structure/visual/util/gaussian.ts
+++ b/src/mol-repr/structure/visual/util/gaussian.ts
@@ -42,14 +42,14 @@ export function computeUnitGaussianDensity(unit: Unit, props: GaussianDensityPro
export function computeUnitGaussianDensityTexture(unit: Unit, props: GaussianDensityTextureProps, webgl: WebGLContext, texture?: Texture) {
const { position, radius } = getUnitConformationAndRadius(unit)
return Task.create('Gaussian Density', async ctx => {
- return await GaussianDensityTexture(ctx, webgl, position, unit.lookup3d.boundary.box, radius, props, texture);
+ return GaussianDensityTexture(webgl, position, unit.lookup3d.boundary.box, radius, props, texture);
});
}
export function computeUnitGaussianDensityTexture2d(unit: Unit, props: GaussianDensityTextureProps, webgl: WebGLContext, texture?: Texture) {
const { position, radius } = getUnitConformationAndRadius(unit)
return Task.create('Gaussian Density', async ctx => {
- return await GaussianDensityTexture2d(ctx, webgl, position, unit.lookup3d.boundary.box, radius, props, texture);
+ return GaussianDensityTexture2d(webgl, position, unit.lookup3d.boundary.box, radius, props, texture);
});
}
@@ -65,6 +65,6 @@ export function computeStructureGaussianDensity(structure: Structure, props: Gau
export function computeStructureGaussianDensityTexture(structure: Structure, props: GaussianDensityTextureProps, webgl: WebGLContext, texture?: Texture) {
const { position, radius } = getStructureConformationAndRadius(structure)
return Task.create('Gaussian Density', async ctx => {
- return await GaussianDensityTexture(ctx, webgl, position, structure.lookup3d.boundary.box, radius, props, texture);
+ return GaussianDensityTexture(webgl, position, structure.lookup3d.boundary.box, radius, props, texture);
});
}
\ No newline at end of file