diff --git a/src/mol-geo/geometry/direct-volume/direct-volume.ts b/src/mol-geo/geometry/direct-volume/direct-volume.ts
index de1aa2f03b5f72340389534ed9a92c39eb2762e3..cdfdccc303b35c54a3c064985ef842b5703264b1 100644
--- a/src/mol-geo/geometry/direct-volume/direct-volume.ts
+++ b/src/mol-geo/geometry/direct-volume/direct-volume.ts
@@ -6,13 +6,13 @@
import { RuntimeContext } from 'mol-task'
import { ValueCell } from 'mol-util'
-import { Sphere3D } from 'mol-math/geometry'
+import { Sphere3D, Box3D } from 'mol-math/geometry'
import { paramDefaultValues, RangeParam, BooleanParam, SelectParam, TextParam } from 'mol-view/parameter';
import { DirectVolume2dValues, DirectVolumeBaseValues, DirectVolume3dValues } from 'mol-gl/renderable/direct-volume';
-import { TextureImage, TextureVolume } from 'mol-gl/renderable/util';
import { Vec3, Vec2, Mat4 } from 'mol-math/linear-algebra';
import { Box } from '../../primitive/box';
import { getControlPointsFromString, createTransferFunctionTexture } from './transfer-function';
+import { Texture } from 'mol-gl/webgl/texture';
const VolumeBox = Box()
const RenderModeOptions = [['isosurface', 'Isosurface'], ['volume', 'Volume']] as [string, string][]
@@ -87,11 +87,34 @@ function updateBaseValues(values: DirectVolumeBaseValues, props: BaseProps) {
export interface DirectVolume2d extends DirectVolumeBase {
readonly kind: 'direct-volume-2d',
- readonly gridTexture: ValueCell<TextureImage<any>>,
+ readonly gridTexture: ValueCell<Texture>,
readonly gridTextureDim: ValueCell<Vec2>,
}
export namespace DirectVolume2d {
+ export function create(bbox: Box3D, gridDimension: Vec3, transform: Mat4, texture: Texture, directVolume?: DirectVolume2d): DirectVolume2d {
+ if (directVolume) {
+ ValueCell.update(directVolume.gridDimension, gridDimension)
+ ValueCell.update(directVolume.gridTextureDim, Vec2.set(directVolume.gridTextureDim.ref.value, texture.width, texture.height))
+ ValueCell.update(directVolume.bboxMin, bbox.min)
+ ValueCell.update(directVolume.bboxMax, bbox.max)
+ ValueCell.update(directVolume.bboxSize, Vec3.sub(directVolume.bboxSize.ref.value, bbox.max, bbox.min))
+ ValueCell.update(directVolume.transform, transform)
+ return directVolume
+ } else {
+ return {
+ kind: 'direct-volume-2d' as 'direct-volume-2d',
+ gridDimension: ValueCell.create(gridDimension),
+ gridTexture: ValueCell.create(texture),
+ gridTextureDim: ValueCell.create(Vec2.create(texture.width, texture.height)),
+ bboxMin: ValueCell.create(bbox.min),
+ bboxMax: ValueCell.create(bbox.max),
+ bboxSize: ValueCell.create(Vec3.sub(Vec3.zero(), bbox.max, bbox.min)),
+ transform: ValueCell.create(transform),
+ }
+ }
+ }
+
export function createEmpty(directVolume?: DirectVolume2d): DirectVolume2d {
return {} as DirectVolume2d // TODO
}
@@ -120,10 +143,31 @@ export namespace DirectVolume2d {
export interface DirectVolume3d extends DirectVolumeBase {
readonly kind: 'direct-volume-3d',
- readonly gridTexture: ValueCell<TextureVolume<any>>,
+ readonly gridTexture: ValueCell<Texture>,
}
export namespace DirectVolume3d {
+ export function create(bbox: Box3D, gridDimension: Vec3, transform: Mat4, texture: Texture, directVolume?: DirectVolume3d): DirectVolume3d {
+ if (directVolume) {
+ ValueCell.update(directVolume.gridDimension, gridDimension)
+ ValueCell.update(directVolume.bboxMin, bbox.min)
+ ValueCell.update(directVolume.bboxMax, bbox.max)
+ ValueCell.update(directVolume.bboxSize, Vec3.sub(directVolume.bboxSize.ref.value, bbox.max, bbox.min))
+ ValueCell.update(directVolume.transform, transform)
+ return directVolume
+ } else {
+ return {
+ kind: 'direct-volume-3d' as 'direct-volume-3d',
+ gridDimension: ValueCell.create(gridDimension),
+ gridTexture: ValueCell.create(texture),
+ bboxMin: ValueCell.create(bbox.min),
+ bboxMax: ValueCell.create(bbox.max),
+ bboxSize: ValueCell.create(Vec3.sub(Vec3.zero(), bbox.max, bbox.min)),
+ transform: ValueCell.create(transform),
+ }
+ }
+ }
+
export function createEmpty(directVolume?: DirectVolume3d): DirectVolume3d {
return {} as DirectVolume3d // TODO
}
diff --git a/src/mol-geo/geometry/geometry.ts b/src/mol-geo/geometry/geometry.ts
index 4ad88a210ae595fe25cffbc0185c100307eba054..b8920b17a75cd1b065fe7d909d9cf592c6a955d9 100644
--- a/src/mol-geo/geometry/geometry.ts
+++ b/src/mol-geo/geometry/geometry.ts
@@ -18,7 +18,6 @@ import { Lines } from './lines/lines';
import { paramDefaultValues, RangeParam, BooleanParam, SelectParam, ColorParam, StructureParam, ValueParam } from 'mol-view/parameter'
import { Structure } from 'mol-model/structure';
import { DirectVolume2d, DirectVolume3d } from './direct-volume/direct-volume';
-import { GLRenderingContext } from 'mol-gl/webgl/compat';
import { Context } from 'mol-gl/webgl/context';
//
diff --git a/src/mol-geo/representation/structure/index.ts b/src/mol-geo/representation/structure/index.ts
index 5c1cae6f6840b9ee845365deeb5f5ade64586b51..f1b8d592bac06a5b8e403e4b82be4e2410c53467 100644
--- a/src/mol-geo/representation/structure/index.ts
+++ b/src/mol-geo/representation/structure/index.ts
@@ -14,7 +14,7 @@ import { Mesh } from '../../geometry/mesh/mesh';
import { Points } from '../../geometry/points/points';
import { Lines } from '../../geometry/lines/lines';
import { SelectParam, paramDefaultValues } from 'mol-view/parameter';
-import { DirectVolume2d } from '../../geometry/direct-volume/direct-volume';
+import { DirectVolume2d, DirectVolume3d } from '../../geometry/direct-volume/direct-volume';
export interface StructureRepresentation<P extends RepresentationProps = {}> extends Representation<Structure, P> { }
@@ -49,6 +49,7 @@ export type StructureLinesProps = typeof DefaultStructureLinesProps
export const StructureDirectVolumeParams = {
...DirectVolume2d.Params,
+ ...DirectVolume3d.Params,
...StructureParams,
}
export const DefaultStructureDirectVolumeProps = paramDefaultValues(StructureDirectVolumeParams)
diff --git a/src/mol-geo/representation/structure/units-visual.ts b/src/mol-geo/representation/structure/units-visual.ts
index d645473bf2e40edd3f9bda9c4d1a69a5fcbab21d..785b9f9794e8d6582301256a0dd71dfb7c90dcca 100644
--- a/src/mol-geo/representation/structure/units-visual.ts
+++ b/src/mol-geo/representation/structure/units-visual.ts
@@ -15,7 +15,7 @@ import { LocationIterator } from '../../util/location-iterator';
import { Mesh } from '../../geometry/mesh/mesh';
import { MarkerAction, applyMarkerAction, createMarkers } from '../../geometry/marker-data';
import { Loci, isEveryLoci, EmptyLoci } from 'mol-model/loci';
-import { MeshRenderObject, PointsRenderObject, LinesRenderObject, DirectVolume2dRenderObject } from 'mol-gl/render-object';
+import { MeshRenderObject, PointsRenderObject, LinesRenderObject, DirectVolume2dRenderObject, DirectVolume3dRenderObject } from 'mol-gl/render-object';
import { createUnitsMeshRenderObject, createUnitsPointsRenderObject, createUnitsTransform, createUnitsLinesRenderObject, createUnitsDirectVolumeRenderObject } from './visual/util/common';
import { deepEqual, ValueCell, UUID } from 'mol-util';
import { Interval } from 'mol-data/int';
@@ -25,7 +25,7 @@ import { createColors, ColorProps } from '../../geometry/color-data';
import { createSizes, SizeProps } from '../../geometry/size-data';
import { Lines } from '../../geometry/lines/lines';
import { MultiSelectParam, paramDefaultValues } from 'mol-view/parameter';
-import { DirectVolume2d } from '../../geometry/direct-volume/direct-volume';
+import { DirectVolume2d, DirectVolume3d } from '../../geometry/direct-volume/direct-volume';
export const UnitKindInfo = {
'atomic': {},
@@ -526,15 +526,15 @@ export const UnitsDirectVolumeParams = {
}
export const DefaultUnitsDirectVolumeProps = paramDefaultValues(UnitsDirectVolumeParams)
export type UnitsDirectVolumeProps = typeof DefaultUnitsDirectVolumeProps
-export interface UnitsDirectVolumeVisualBuilder<P extends UnitsDirectVolumeProps> extends UnitsVisualBuilder<P, DirectVolume2d> { }
+export interface UnitsDirectVolumeVisualBuilder<P extends UnitsDirectVolumeProps> extends UnitsVisualBuilder<P, DirectVolume2d | DirectVolume3d> { }
export function UnitsDirectVolumeVisual<P extends UnitsDirectVolumeProps>(builder: UnitsDirectVolumeVisualBuilder<P>): UnitsVisual<P> {
const { defaultProps, createGeometry, createLocationIterator, getLoci, setUpdateState } = builder
const updateState = VisualUpdateState.create()
- let renderObject: DirectVolume2dRenderObject | undefined
+ let renderObject: DirectVolume2dRenderObject | DirectVolume3dRenderObject | undefined
let currentProps: P
- let directVolume: DirectVolume2d
+ let directVolume: DirectVolume2d | DirectVolume3d
let currentGroup: Unit.SymmetryGroup
let currentStructure: Structure
let locationIt: LocationIterator
@@ -551,7 +551,9 @@ export function UnitsDirectVolumeVisual<P extends UnitsDirectVolumeProps>(builde
currentConformationId = Unit.conformationId(unit)
directVolume = includesUnitKind(currentProps.unitKinds, unit)
? await createGeometry(ctx, unit, currentStructure, currentProps, directVolume)
- : DirectVolume2d.createEmpty(directVolume)
+ : (webgl.isWebGL2 ?
+ DirectVolume2d.createEmpty(directVolume as DirectVolume2d) :
+ DirectVolume3d.createEmpty(directVolume as DirectVolume3d))
console.log('directVolume', directVolume)
@@ -598,7 +600,9 @@ export function UnitsDirectVolumeVisual<P extends UnitsDirectVolumeProps>(builde
if (updateState.createGeometry) {
directVolume = includesUnitKind(newProps.unitKinds, unit)
? await createGeometry(ctx, unit, currentStructure, newProps, directVolume)
- : DirectVolume2d.createEmpty(directVolume)
+ : (webgl.isWebGL2 ?
+ DirectVolume2d.createEmpty(directVolume as DirectVolume2d) :
+ DirectVolume3d.createEmpty(directVolume as DirectVolume3d))
updateState.updateColor = true
}
@@ -606,9 +610,12 @@ export function UnitsDirectVolumeVisual<P extends UnitsDirectVolumeProps>(builde
// await createColors(ctx, locationIt, newProps, renderObject.values)
// }
- // TODO why do I need to cast here?
- DirectVolume2d.updateValues(renderObject.values, newProps as UnitsDirectVolumeProps)
- updateRenderableState(renderObject.state, newProps as UnitsDirectVolumeProps)
+ if (renderObject.type === 'direct-volume-2d') {
+ DirectVolume2d.updateValues(renderObject.values, newProps)
+ } else {
+ DirectVolume3d.updateValues(renderObject.values, newProps)
+ }
+ updateRenderableState(renderObject.state, newProps)
currentProps = newProps
}
diff --git a/src/mol-geo/representation/structure/visual/gaussian-density-volume.ts b/src/mol-geo/representation/structure/visual/gaussian-density-volume.ts
index 83a90531ac83012082919676ef3c96cbf39ec75a..c129566b131f07479175a7b61cea98e2521c2ba0 100644
--- a/src/mol-geo/representation/structure/visual/gaussian-density-volume.ts
+++ b/src/mol-geo/representation/structure/visual/gaussian-density-volume.ts
@@ -9,42 +9,43 @@ import { UnitsVisual, VisualUpdateState } from '..';
import { RuntimeContext } from 'mol-task'
import { UnitsDirectVolumeVisual, UnitsDirectVolumeParams } from '../units-visual';
import { StructureElementIterator, getElementLoci, markElement } from './util/element';
-import { GaussianDensityProps, GaussianDensityParams } from 'mol-model/structure/structure/unit/gaussian-density';
+import { GaussianDensityProps, GaussianDensityParams, computeUnitGaussianDensityTexture } from 'mol-model/structure/structure/unit/gaussian-density';
import { paramDefaultValues } from 'mol-view/parameter';
-import { DirectVolume2d } from '../../../geometry/direct-volume/direct-volume';
-import { ValueCell } from 'mol-util';
-import { Vec3, Vec2 } from 'mol-math/linear-algebra';
+import { DirectVolume2d, DirectVolume3d } from '../../../geometry/direct-volume/direct-volume';
-async function createGaussianDensityVolume(ctx: RuntimeContext, unit: Unit, structure: Structure, props: GaussianDensityProps, directVolume?: DirectVolume2d): Promise<DirectVolume2d> {
- const p = { ...props, useGpu: true, ignoreCache: true }
- const { transform, texture, bbox, gridDimension } = await unit.computeGaussianDensity(p, ctx)
- if (!texture || !bbox || !gridDimension) throw new Error('missing renderTarget and/or boundingBox and/or gridDimension')
+async function createGaussianDensityVolume(ctx: RuntimeContext, unit: Unit, structure: Structure, props: GaussianDensityProps, directVolume?: DirectVolume2d | DirectVolume3d): Promise<DirectVolume2d | DirectVolume3d> {
+ const { webgl } = props
+ if (webgl === undefined) throw new Error('createGaussianDensityVolume requires `webgl` in props')
- if (directVolume) {
- ValueCell.update(directVolume.gridDimension, gridDimension)
- ValueCell.update(directVolume.gridTexture, renderTarget.image)
- ValueCell.update(directVolume.gridTextureDim, Vec2.set(directVolume.gridTextureDim.ref.value, renderTarget.width, renderTarget.height))
- ValueCell.update(directVolume.bboxMin, bbox.min)
- ValueCell.update(directVolume.bboxMax, bbox.max)
- ValueCell.update(directVolume.bboxSize, Vec3.sub(directVolume.bboxSize.ref.value, bbox.max, bbox.min))
- ValueCell.update(directVolume.transform, transform)
- } else {
- directVolume = {
- kind: 'direct-volume-2d' as 'direct-volume-2d',
- gridDimension: ValueCell.create(gridDimension),
- gridTexture: ValueCell.create(renderTarget.image),
- gridTextureDim: ValueCell.create(Vec2.create(renderTarget.width, renderTarget.height)),
- bboxMin: ValueCell.create(bbox.min),
- bboxMax: ValueCell.create(bbox.max),
- bboxSize: ValueCell.create(Vec3.sub(Vec3.zero(), bbox.max, bbox.min)),
- transform: ValueCell.create(transform),
- }
- }
+ const p = { ...props, useGpu: true }
+ const oldTexture = directVolume ? directVolume.gridTexture.ref.value : undefined
+ const densityTextureData = await computeUnitGaussianDensityTexture(unit, p, oldTexture).runInContext(ctx)
+ const { transform, texture, bbox, gridDimension } = densityTextureData
+
+ directVolume = texture.depth == 0 ?
+ DirectVolume2d.create(bbox, gridDimension, transform, texture, directVolume as DirectVolume2d) :
+ DirectVolume3d.create(bbox, gridDimension, transform, texture, directVolume as DirectVolume3d)
+
- console.log('gridDimension', gridDimension)
- console.log('gridTextureDim', renderTarget.width, renderTarget.height)
- console.log('boundingBox', bbox)
- console.log('transform', transform)
+ // if (directVolume) {
+ // ValueCell.update(directVolume.gridDimension, gridDimension)
+ // ValueCell.update(directVolume.gridTextureDim, Vec2.set(directVolume.gridTextureDim.ref.value, texture.width, texture.height))
+ // ValueCell.update(directVolume.bboxMin, bbox.min)
+ // ValueCell.update(directVolume.bboxMax, bbox.max)
+ // ValueCell.update(directVolume.bboxSize, Vec3.sub(directVolume.bboxSize.ref.value, bbox.max, bbox.min))
+ // ValueCell.update(directVolume.transform, transform)
+ // } else {
+ // directVolume = {
+ // kind: 'direct-volume-2d' as 'direct-volume-2d',
+ // gridDimension: ValueCell.create(gridDimension),
+ // gridTexture: ValueCell.create(texture),
+ // gridTextureDim: ValueCell.create(Vec2.create(texture.width, texture.height)),
+ // bboxMin: ValueCell.create(bbox.min),
+ // bboxMax: ValueCell.create(bbox.max),
+ // bboxSize: ValueCell.create(Vec3.sub(Vec3.zero(), bbox.max, bbox.min)),
+ // transform: ValueCell.create(transform),
+ // }
+ // }
return directVolume;
}
diff --git a/src/mol-geo/representation/structure/visual/util/common.ts b/src/mol-geo/representation/structure/visual/util/common.ts
index 7c95a0300faaa2f271f576bc8cc37bda52178c4a..ef59fe0f370c855cd150a25d3b9c35592f00c4ba 100644
--- a/src/mol-geo/representation/structure/visual/util/common.ts
+++ b/src/mol-geo/representation/structure/visual/util/common.ts
@@ -8,14 +8,14 @@ import { Unit, Structure } from 'mol-model/structure';
import { LocationIterator } from '../../../../util/location-iterator';
import { Mesh } from '../../../../geometry/mesh/mesh';
import { StructureProps } from '../..';
-import { createMeshRenderObject, createPointsRenderObject, createLinesRenderObject, createDirectVolume2dRenderObject } from 'mol-gl/render-object';
+import { createMeshRenderObject, createPointsRenderObject, createLinesRenderObject, createDirectVolume2dRenderObject, createDirectVolume3dRenderObject } from 'mol-gl/render-object';
import { RuntimeContext } from 'mol-task';
import { TransformData, createIdentityTransform, createTransform } from '../../../../geometry/transform-data';
import { Points } from '../../../../geometry/points/points';
import { createRenderableState } from '../../../../geometry/geometry';
import { Mat4 } from 'mol-math/linear-algebra';
import { Lines } from '../../../../geometry/lines/lines';
-import { DirectVolume2d } from '../../../../geometry/direct-volume/direct-volume';
+import { DirectVolume2d, DirectVolume3d } from '../../../../geometry/direct-volume/direct-volume';
export function createUnitsTransform({ units }: Unit.SymmetryGroup, transformData?: TransformData) {
const unitCount = units.length
@@ -70,12 +70,13 @@ export async function createUnitsLinesRenderObject(ctx: RuntimeContext, group: U
// direct-volume
-type StructureDirectVolumeProps = DirectVolume2d.Props & StructureProps
+type StructureDirectVolumeProps = DirectVolume2d.Props & DirectVolume3d.Props & StructureProps
-export async function createUnitsDirectVolumeRenderObject(ctx: RuntimeContext, group: Unit.SymmetryGroup, directVolume: DirectVolume2d, locationIt: LocationIterator, props: StructureDirectVolumeProps) {
+export async function createUnitsDirectVolumeRenderObject(ctx: RuntimeContext, group: Unit.SymmetryGroup, directVolume: DirectVolume2d | DirectVolume3d, locationIt: LocationIterator, props: StructureDirectVolumeProps) {
// TODO transform support
// const transform = createUnitsTransform(group)
- const values = await DirectVolume2d.createValues(ctx, directVolume, props)
const state = createRenderableState(props)
- return createDirectVolume2dRenderObject(values, state)
+ return directVolume.kind === 'direct-volume-2d' ?
+ createDirectVolume2dRenderObject(await DirectVolume2d.createValues(ctx, directVolume, props), state) :
+ createDirectVolume3dRenderObject(await DirectVolume3d.createValues(ctx, directVolume, props), state)
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/volume/direct-volume.ts b/src/mol-geo/representation/volume/direct-volume.ts
index 8c1aea142c9feabd0585df879609b526cf5c1dc7..8e5eaecdf20e2df0264bdd0430037c73a5d835b9 100644
--- a/src/mol-geo/representation/volume/direct-volume.ts
+++ b/src/mol-geo/representation/volume/direct-volume.ts
@@ -13,13 +13,19 @@ import { MarkerAction } from '../../geometry/marker-data';
import { Loci, EmptyLoci } from 'mol-model/loci';
import { createRenderableState, updateRenderableState, Geometry } from '../../geometry/geometry';
import { paramDefaultValues } from 'mol-view/parameter';
-import { ValueCell } from 'mol-util';
import { DirectVolume2d, DirectVolume3d } from '../../geometry/direct-volume/direct-volume';
-import { Vec2, Vec3 } from 'mol-math/linear-algebra';
+import { Vec3, Mat4 } from 'mol-math/linear-algebra';
import { Box3D } from 'mol-math/geometry';
-import { createImageData, Context } from 'mol-gl/webgl/context';
-import { debugTexture } from 'mol-gl/util';
+import { Context } from 'mol-gl/webgl/context';
import { DirectVolume3dValues, DirectVolume2dValues } from 'mol-gl/renderable/direct-volume';
+import { createTexture } from 'mol-gl/webgl/texture';
+
+function getBoundingBox(gridDimension: Vec3, transform: Mat4) {
+ const bbox = Box3D.empty()
+ Box3D.add(bbox, gridDimension)
+ Box3D.transform(bbox, bbox, transform)
+ return bbox
+}
// 2d volume texture
@@ -80,46 +86,17 @@ function createVolumeTexture2d(volume: VolumeData, maxTextureSize: number) {
export function createDirectVolume2d(ctx: RuntimeContext, webgl: Context, volume: VolumeData, directVolume?: DirectVolume2d) {
const gridDimension = volume.data.space.dimensions as Vec3
const textureImage = createVolumeTexture2d(volume, webgl.maxTextureSize)
+ // debugTexture(createImageData(textureImage.array, textureImage.width, textureImage.height), 1/3)
const transform = VolumeData.getGridToCartesianTransform(volume)
-
- console.log('textureImage', textureImage)
- debugTexture(createImageData(textureImage.array, textureImage.width, textureImage.height), 1/3)
-
- const bbox = Box3D.empty()
- Box3D.add(bbox, gridDimension)
- Box3D.transform(bbox, bbox, transform)
-
+ const bbox = getBoundingBox(gridDimension, transform)
const dim = Vec3.create(gridDimension[0], gridDimension[1], gridDimension[2])
dim[0] += 1 // horizontal padding
dim[0] += 1 // vertical padding
- if (directVolume) {
- ValueCell.update(directVolume.gridDimension, dim)
- ValueCell.update(directVolume.gridTexture, textureImage)
- ValueCell.update(directVolume.gridTextureDim, Vec2.set(directVolume.gridTextureDim.ref.value, textureImage.width, textureImage.height))
- ValueCell.update(directVolume.bboxMin, bbox.min)
- ValueCell.update(directVolume.bboxMax, bbox.max)
- ValueCell.update(directVolume.bboxSize, Vec3.sub(directVolume.bboxSize.ref.value, bbox.max, bbox.min))
- ValueCell.update(directVolume.transform, transform)
- } else {
- directVolume = {
- kind: 'direct-volume-2d' as 'direct-volume-2d',
- gridDimension: ValueCell.create(dim),
- gridTexture: ValueCell.create(textureImage),
- gridTextureDim: ValueCell.create(Vec2.create(textureImage.width, textureImage.height)),
- bboxMin: ValueCell.create(bbox.min),
- bboxMax: ValueCell.create(bbox.max),
- bboxSize: ValueCell.create(Vec3.sub(Vec3.zero(), bbox.max, bbox.min)),
- transform: ValueCell.create(transform),
- }
- }
-
- console.log('gridDimension', dim)
- console.log('gridTextureDim', textureImage.width, textureImage.height)
- console.log('boundingBox', bbox)
- console.log('transform', transform)
+ const texture = directVolume ? directVolume.gridTexture.ref.value : createTexture(webgl, 'image-uint8', 'rgba', 'ubyte', 'linear')
+ texture.load(textureImage)
- return directVolume;
+ return DirectVolume2d.create(bbox, dim, transform, texture, directVolume)
}
// 3d volume texture
@@ -150,33 +127,12 @@ export function createDirectVolume3d(ctx: RuntimeContext, webgl: Context, volume
const gridDimension = volume.data.space.dimensions as Vec3
const textureVolume = createVolumeTexture3d(volume)
const transform = VolumeData.getGridToCartesianTransform(volume)
+ const bbox = getBoundingBox(gridDimension, transform)
- console.log('textureVolume', textureVolume)
-
- const bbox = Box3D.empty()
- Box3D.add(bbox, gridDimension)
- Box3D.transform(bbox, bbox, transform)
-
- if (directVolume) {
- ValueCell.update(directVolume.gridDimension, gridDimension)
- ValueCell.update(directVolume.gridTexture, textureVolume)
- ValueCell.update(directVolume.bboxMin, bbox.min)
- ValueCell.update(directVolume.bboxMax, bbox.max)
- ValueCell.update(directVolume.bboxSize, Vec3.sub(directVolume.bboxSize.ref.value, bbox.max, bbox.min))
- ValueCell.update(directVolume.transform, transform)
- } else {
- directVolume = {
- kind: 'direct-volume-3d' as 'direct-volume-3d',
- gridDimension: ValueCell.create(gridDimension),
- gridTexture: ValueCell.create(textureVolume),
- bboxMin: ValueCell.create(bbox.min),
- bboxMax: ValueCell.create(bbox.max),
- bboxSize: ValueCell.create(Vec3.sub(Vec3.zero(), bbox.max, bbox.min)),
- transform: ValueCell.create(transform),
- }
- }
+ const texture = directVolume ? directVolume.gridTexture.ref.value : createTexture(webgl, 'volume-uint8', 'rgba', 'ubyte', 'linear')
+ texture.load(textureVolume)
- return directVolume;
+ return DirectVolume3d.create(bbox, gridDimension, transform, texture, directVolume)
}
//
diff --git a/src/mol-gl/renderable/direct-volume.ts b/src/mol-gl/renderable/direct-volume.ts
index 024848348e5bdea0cbeac1543fbc4c14fb8b83b5..4138d480b10c3659bac37f8db8d93cff876843dc 100644
--- a/src/mol-gl/renderable/direct-volume.ts
+++ b/src/mol-gl/renderable/direct-volume.ts
@@ -59,7 +59,7 @@ export const DirectVolume2dSchema = {
...DirectVolumeBaseSchema,
dGridTexType: DefineSpec('string', ['2d']),
uGridTexDim: UniformSpec('v2'),
- tGridTex: TextureSpec('image-uint8', 'rgba', 'ubyte', 'linear'),
+ tGridTex: TextureSpec('texture2d', 'rgba', 'ubyte', 'linear'),
}
export type DirectVolume2dSchema = typeof DirectVolume2dSchema
export type DirectVolume2dValues = Values<DirectVolume2dSchema>
@@ -73,7 +73,7 @@ export function DirectVolume2dRenderable(ctx: Context, id: number, values: Direc
export const DirectVolume3dSchema = {
...DirectVolumeBaseSchema,
dGridTexType: DefineSpec('string', ['3d']),
- tGridTex: TextureSpec('volume-uint8', 'rgba', 'ubyte', 'linear'),
+ tGridTex: TextureSpec('texture3d', 'rgba', 'ubyte', 'linear'),
}
export type DirectVolume3dSchema = typeof DirectVolume3dSchema
export type DirectVolume3dValues = Values<DirectVolume3dSchema>
diff --git a/src/mol-gl/renderable/schema.ts b/src/mol-gl/renderable/schema.ts
index fd8db0a530df4d007e36510fbd0dfc6760d40386..1c25d2ab4258f5b6a94d944d29056a39654047aa 100644
--- a/src/mol-gl/renderable/schema.ts
+++ b/src/mol-gl/renderable/schema.ts
@@ -10,7 +10,7 @@ import { UniformKind, UniformValues } from '../webgl/uniform';
import { DefineKind, DefineValues } from '../shader-code';
import { Vec2, Vec3, Vec4, Mat3, Mat4 } from 'mol-math/linear-algebra';
import { TextureImage, TextureVolume } from './util';
-import { TextureValues, TextureType, TextureFormat, TextureFilter, TextureKind } from '../webgl/texture';
+import { TextureValues, TextureType, TextureFormat, TextureFilter, TextureKind, Texture } from '../webgl/texture';
export type ValueKindType = {
'number': number
@@ -29,7 +29,7 @@ export type KindValue = {
'v4': Vec4
'm3': Mat3
'm4': Mat4
- 't2': number
+ 't': number
'uint8': Uint8Array
'int8': Int8Array
@@ -43,6 +43,8 @@ export type KindValue = {
'image-float32': TextureImage<Float32Array>
'volume-uint8': TextureVolume<Uint8Array>
'volume-float32': TextureVolume<Float32Array>
+ 'texture2d': Texture
+ 'texture3d': Texture
'number': number
'string': string
diff --git a/src/mol-gl/webgl/render-item.ts b/src/mol-gl/webgl/render-item.ts
index 7c37fb60991798c495cadda0707299055d60f00b..fa224bdfc54f801ea22adc75a49153ce7be3ea20 100644
--- a/src/mol-gl/webgl/render-item.ts
+++ b/src/mol-gl/webgl/render-item.ts
@@ -14,6 +14,7 @@ import { idFactory } from 'mol-util/id-factory';
import { deleteVertexArray, createVertexArray } from './vertex-array';
import { ValueCell } from 'mol-util';
import { ReferenceItem } from 'mol-util/reference-cache';
+import { TextureImage, TextureVolume } from 'mol-gl/renderable/util';
const getNextRenderItemId = idFactory()
@@ -227,9 +228,11 @@ export function createRenderItem(ctx: Context, drawMode: DrawMode, shaderCode: S
const value = textureValues[k]
if (value.ref.version !== versions[k]) {
// console.log('texture version changed, uploading image', k)
- textures[k].load(value.ref.value)
- versions[k] = value.ref.version
- valueChanges.textures = true
+ if (schema[k].kind !== 'texture2d' && schema[k].kind !== 'texture3d') {
+ textures[k].load(value.ref.value as TextureImage<any> | TextureVolume<any>)
+ versions[k] = value.ref.version
+ valueChanges.textures = true
+ }
}
})
diff --git a/src/mol-gl/webgl/texture.ts b/src/mol-gl/webgl/texture.ts
index 6d6e2447b586497d07db458eaef43f683b568c0c..db42755fbe1fc0c2be5c970ade0f98b20735db6e 100644
--- a/src/mol-gl/webgl/texture.ts
+++ b/src/mol-gl/webgl/texture.ts
@@ -19,7 +19,10 @@ export type TextureKindValue = {
'image-float32': TextureImage<Float32Array>
'volume-uint8': TextureVolume<Uint8Array>
'volume-float32': TextureVolume<Float32Array>
+ 'texture2d': Texture
+ 'texture3d': Texture
}
+export type TextureValueType = Helpers.ValueOf<TextureKindValue>
export type TextureKind = keyof TextureKindValue
export type TextureType = 'ubyte' | 'float'
export type TextureFormat = 'alpha' | 'rgb' | 'rgba'
@@ -32,9 +35,16 @@ export function getTarget(ctx: Context, kind: TextureKind): number {
switch (kind) {
case 'image-uint8': return gl.TEXTURE_2D
case 'image-float32': return gl.TEXTURE_2D
- case 'volume-uint8': return (gl as WebGL2RenderingContext).TEXTURE_3D
- case 'volume-float32': return (gl as WebGL2RenderingContext).TEXTURE_3D
+ case 'texture2d': return gl.TEXTURE_2D
}
+ if(isWebGL2(gl)) {
+ switch (kind) {
+ case 'volume-uint8': return gl.TEXTURE_3D
+ case 'volume-float32': return gl.TEXTURE_3D
+ case 'texture3d': return gl.TEXTURE_3D
+ }
+ }
+ throw new Error('unknown texture kind')
}
export function getFormat(ctx: Context, format: TextureFormat): number {
@@ -119,7 +129,7 @@ export interface Texture {
readonly depth: number
define: (width: number, height: number, depth?: number) => void
- load: (image: TextureImage<any>) => void
+ load: (image: TextureImage<any> | TextureVolume<any>) => void
bind: (id: TextureId) => void
unbind: (id: TextureId) => void
/** Use `layer` to attach a z-slice of a 3D texture */
@@ -130,7 +140,7 @@ export interface Texture {
export type TextureId = 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15
-export type TextureValues = { [k: string]: ValueCell<TextureImage<any>> }
+export type TextureValues = { [k: string]: ValueCell<TextureValueType> }
export type Textures = { [k: string]: Texture }
export function createTexture(ctx: Context, kind: TextureKind, _format: TextureFormat, _type: TextureType, _filter: TextureFilter): Texture {
@@ -241,9 +251,13 @@ export function createTextures(ctx: Context, schema: RenderableSchema, values: T
Object.keys(schema).forEach((k, i) => {
const spec = schema[k]
if (spec.type === 'texture') {
- const texture = createTexture(ctx, spec.kind, spec.format, spec.dataType, spec.filter)
- texture.load(values[k].ref.value)
- textures[k] = texture
+ if (spec.kind === 'texture2d' || spec.kind === 'texture3d') {
+ textures[k] = values[k].ref.value as Texture
+ } else {
+ const texture = createTexture(ctx, spec.kind, spec.format, spec.dataType, spec.filter)
+ texture.load(values[k].ref.value as TextureImage<any> | TextureVolume<any>)
+ textures[k] = texture
+ }
}
})
return textures
diff --git a/src/mol-gl/webgl/uniform.ts b/src/mol-gl/webgl/uniform.ts
index 9fc22194e19ca8fdd6b8f488093bceb88297110a..7ef816a1d335ba63bdc65377f71222cde8598c8e 100644
--- a/src/mol-gl/webgl/uniform.ts
+++ b/src/mol-gl/webgl/uniform.ts
@@ -17,7 +17,7 @@ export type UniformKindValue = {
'v4': Vec4
'm3': Mat3
'm4': Mat4
- 't2': number
+ 't': number
}
export type UniformKind = keyof UniformKindValue
export type UniformType = number | Vec2 | Vec3 | Vec4 | Mat3 | Mat4
@@ -37,7 +37,7 @@ function createUniformSetter(ctx: Context, program: WebGLProgram, name: string,
}
switch (kind) {
case 'f': return (value: number) => gl.uniform1f(location, value)
- case 'i': case 't2': return (value: number) => gl.uniform1i(location, value)
+ case 'i': case 't': return (value: number) => gl.uniform1i(location, value)
case 'v2': return (value: Vec2) => (gl as WebGLRenderingContext).uniform2fv(location, value) // TODO remove cast when webgl2 types are fixed
case 'v3': return (value: Vec3) => (gl as WebGLRenderingContext).uniform3fv(location, value)
case 'v4': return (value: Vec4) => (gl as WebGLRenderingContext).uniform4fv(location, value)
@@ -78,7 +78,7 @@ export function getTextureUniformUpdaters(ctx: Context, program: WebGLProgram, s
Object.keys(schema).forEach(k => {
const spec = schema[k]
if (spec.type === 'texture') {
- updaters[k] = createUniformUpdater(ctx, program, k, 't2')
+ updaters[k] = createUniformUpdater(ctx, program, k, 't')
}
})
return updaters
diff --git a/src/mol-math/geometry/common.ts b/src/mol-math/geometry/common.ts
index e7d730768f119e4aee5890536b8793ec56cd98e2..6eab9cfa2492ef2a0cc1b95145ab8fa646805dd3 100644
--- a/src/mol-math/geometry/common.ts
+++ b/src/mol-math/geometry/common.ts
@@ -24,8 +24,11 @@ export type DensityData = {
transform: Mat4,
field: Tensor,
idField: Tensor,
+}
- texture?: Texture,
- bbox?: Box3D,
- gridDimension?: Vec3
+export type DensityTextureData = {
+ transform: Mat4,
+ texture: Texture,
+ bbox: Box3D,
+ gridDimension: Vec3
}
\ No newline at end of file
diff --git a/src/mol-math/geometry/gaussian-density.ts b/src/mol-math/geometry/gaussian-density.ts
index cdc1f696f0095691cec96b72b21ccf3884aed0a5..f7e39348e622e8ff2429dc66e57d7df9765c8c79 100644
--- a/src/mol-math/geometry/gaussian-density.ts
+++ b/src/mol-math/geometry/gaussian-density.ts
@@ -9,6 +9,7 @@ import { Vec3 } from '../linear-algebra';
import { RuntimeContext, Task } from 'mol-task';
import { PositionData, DensityData } from './common';
import { GaussianDensityCPU } from './gaussian-density/cpu';
+import { Context } from 'mol-gl/webgl/context';
// import { GaussianDensityGPU } from './gaussian-density/gpu';
const GaussianDensityGPU = typeof document !== 'undefined'
@@ -20,6 +21,7 @@ export const DefaultGaussianDensityProps = {
radiusOffset: 0,
smoothness: 1.5,
useGpu: true,
+ webgl: undefined as Context | undefined
}
export type GaussianDensityProps = typeof DefaultGaussianDensityProps
diff --git a/src/mol-math/geometry/gaussian-density/gpu.ts b/src/mol-math/geometry/gaussian-density/gpu.ts
index 0d42cc35c71367237b834c1890380571b14181be..bd86f88b7d799b268255a66f3910b77e180974f7 100644
--- a/src/mol-math/geometry/gaussian-density/gpu.ts
+++ b/src/mol-math/geometry/gaussian-density/gpu.ts
@@ -6,13 +6,13 @@
*/
import { RuntimeContext } from 'mol-task'
-import { PositionData, DensityData } from '../common'
+import { PositionData, DensityData, DensityTextureData } from '../common'
import { Box3D } from '../../geometry'
import { GaussianDensityProps, getDelta } from '../gaussian-density'
import { OrderedSet } from 'mol-data/int'
import { Vec3, Tensor, Mat4 } from '../../linear-algebra'
import { GaussianDensityValues } from 'mol-gl/renderable/gaussian-density'
-import { ValueCell } from 'mol-util'
+import { ValueCell, defaults } from 'mol-util'
import { RenderableState } from 'mol-gl/renderable'
import { createRenderable, createGaussianDensityRenderObject } from 'mol-gl/render-object'
import { Context, createContext, getGLContext } from 'mol-gl/webgl/context';
@@ -20,38 +20,38 @@ import { createFramebuffer } from 'mol-gl/webgl/framebuffer';
import { createTexture, Texture, TextureAttachment } from 'mol-gl/webgl/texture';
import { GLRenderingContext } from 'mol-gl/webgl/compat';
-export async function GaussianDensityGPU(ctx: RuntimeContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps): Promise<DensityData> {
- // TODO allow passing a context via props
- const webgl = getWebGLContext()
+export async function GaussianDensityGPU(ctx: RuntimeContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps): Promise<DensityData> {
+ const webgl = defaults(props.webgl, getWebGLContext())
- const useMultiDraw = webgl.maxDrawBuffers > 0
- console.log('useMultiDraw', useMultiDraw)
-
- console.time('gpu gaussian density render')
- const { texture, scale, bbox, dim } = useMultiDraw ?
- await GaussianDensityMultiDrawBuffer(ctx, webgl, position, box, radius, props) :
- await GaussianDensitySingleDrawBuffer(ctx, webgl, position, box, radius, props)
- console.timeEnd('gpu gaussian density render')
+ const { transform, texture, gridDimension } = await GaussianDensityTexture(ctx, webgl, position, box, radius, props)
console.time('gpu gaussian density read')
- const field = useMultiDraw ?
- fieldFromTexture3d(webgl, texture, dim) :
- fieldFromTexture2d(webgl, texture, dim)
+ const field = webgl.maxDrawBuffers > 0 ?
+ fieldFromTexture3d(webgl, texture, gridDimension) :
+ fieldFromTexture2d(webgl, texture, gridDimension)
console.timeEnd('gpu gaussian density read')
const idData = field.space.create()
const idField = Tensor.create(field.space, idData)
+ return { field, idField, transform }
+}
+
+export async function GaussianDensityTexture(ctx: RuntimeContext, webgl: Context, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps, oldTexture?: Texture): Promise<DensityTextureData> {
+ const { texture, scale, bbox, dim } = webgl.maxDrawBuffers > 0 ?
+ await GaussianDensityMultiDrawBuffer(ctx, webgl, position, box, radius, props, oldTexture) :
+ await GaussianDensitySingleDrawBuffer(ctx, webgl, position, box, radius, props, oldTexture)
+
const transform = Mat4.identity()
Mat4.fromScaling(transform, scale)
Mat4.setTranslation(transform, bbox.min)
- return { field, idField, transform, texture, bbox, gridDimension: dim }
+ return { transform, texture, bbox, gridDimension: dim }
}
//
-async function GaussianDensitySingleDrawBuffer(ctx: RuntimeContext, webgl: Context, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps) {
+async function GaussianDensitySingleDrawBuffer(ctx: RuntimeContext, webgl: Context, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps, texture?: Texture) {
const { smoothness } = props
const { drawCount, positions, radii, delta, expandedBox, dim } = await prepareGaussianDensityData(ctx, position, box, radius, props)
@@ -83,7 +83,9 @@ async function GaussianDensitySingleDrawBuffer(ctx: RuntimeContext, webgl: Conte
const framebuffer = createFramebuffer(webgl)
framebuffer.bind()
- const texture = createTexture(webgl, 'image-uint8', 'rgba', 'ubyte', 'linear')
+ if (!texture) {
+ texture = createTexture(webgl, 'image-uint8', 'rgba', 'ubyte', 'linear')
+ }
texture.define(fboTexDimX, fboTexDimY)
const program = renderable.getProgram('draw')
@@ -114,7 +116,7 @@ async function GaussianDensitySingleDrawBuffer(ctx: RuntimeContext, webgl: Conte
return { texture, scale: Vec3.inverse(Vec3.zero(), delta), bbox: expandedBox, dim }
}
-async function GaussianDensityMultiDrawBuffer(ctx: RuntimeContext, webgl: Context, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps) {
+async function GaussianDensityMultiDrawBuffer(ctx: RuntimeContext, webgl: Context, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps, texture?: Texture) {
const { smoothness } = props
const { drawCount, positions, radii, delta, expandedBox, dim } = await prepareGaussianDensityData(ctx, position, box, radius, props)
@@ -131,7 +133,9 @@ async function GaussianDensityMultiDrawBuffer(ctx: RuntimeContext, webgl: Contex
const framebuffer = createFramebuffer(webgl)
framebuffer.bind()
- const texture = createTexture(webgl, 'volume-uint8', 'rgba', 'ubyte', 'linear')
+ if (!texture) {
+ texture = createTexture(webgl, 'volume-uint8', 'rgba', 'ubyte', 'linear')
+ }
texture.define(dx, dy, dz)
if (drawBuffers === 1) {
@@ -204,7 +208,7 @@ function getWebGLContext() {
return webglContext
}
-async function prepareGaussianDensityData(ctx: RuntimeContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps) {
+async function prepareGaussianDensityData(ctx: RuntimeContext, position: PositionData, box: Box3D, radius: (index: number) => number, props: GaussianDensityProps) {
const { resolution, radiusOffset } = props
const { indices, x, y, z } = position
diff --git a/src/mol-model/structure/structure/unit/gaussian-density.ts b/src/mol-model/structure/structure/unit/gaussian-density.ts
index 63e27cb5758c0a939df922ebdc430a1be301e1ff..a5d4d0681972dc13e3a20449cd8712a594489975 100644
--- a/src/mol-model/structure/structure/unit/gaussian-density.ts
+++ b/src/mol-model/structure/structure/unit/gaussian-density.ts
@@ -9,7 +9,10 @@ import { SizeTheme } from 'mol-view/theme/size';
import { GaussianDensity } from 'mol-math/geometry/gaussian-density';
import { Task, RuntimeContext } from 'mol-task';
import { DensityData } from 'mol-math/geometry';
-import { NumberParam, paramDefaultValues, BooleanParam } from 'mol-view/parameter';
+import { NumberParam, paramDefaultValues, BooleanParam, ValueParam } from 'mol-view/parameter';
+import { Context } from 'mol-gl/webgl/context';
+import { GaussianDensityTexture } from 'mol-math/geometry/gaussian-density/gpu';
+import { Texture } from 'mol-gl/webgl/texture';
export const GaussianDensityParams = {
resolution: NumberParam('Resolution', '', 1, 0.1, 10, 0.1),
@@ -17,6 +20,7 @@ export const GaussianDensityParams = {
smoothness: NumberParam('Smoothness', '', 1.5, 0.5, 2.5, 0.1),
useGpu: BooleanParam('Use GPU', '', true),
ignoreCache: BooleanParam('Ignore Cache', '', false),
+ webgl: ValueParam('WebGL Context', '', undefined as Context | undefined),
}
export const DefaultGaussianDensityProps = paramDefaultValues(GaussianDensityParams)
export type GaussianDensityProps = typeof DefaultGaussianDensityProps
@@ -29,7 +33,7 @@ function getConformation(unit: Unit) {
}
}
-export function computeUnitGaussianDensity(unit: Unit, props: GaussianDensityProps) {
+function getConformationAndRadius(unit: Unit) {
const conformation = getConformation(unit)
const { elements } = unit
const position = {
@@ -46,11 +50,25 @@ export function computeUnitGaussianDensity(unit: Unit, props: GaussianDensityPro
return sizeTheme.size(l)
}
+ return { position, radius }
+}
+
+export function computeUnitGaussianDensity(unit: Unit, props: GaussianDensityProps) {
+ const { position, radius } = getConformationAndRadius(unit)
return Task.create('Gaussian Density', async ctx => {
return await GaussianDensity(ctx, position, unit.lookup3d.boundary.box, radius, props);
});
}
+export function computeUnitGaussianDensityTexture(unit: Unit, props: GaussianDensityProps, texture?: Texture) {
+ const webgl = props.webgl
+ if (!webgl) throw new Error('nned webgl context for computeUnitGaussianDensityTexture')
+ const { position, radius } = getConformationAndRadius(unit)
+ return Task.create('Gaussian Density', async ctx => {
+ return await GaussianDensityTexture(ctx, webgl, position, unit.lookup3d.boundary.box, radius, props, texture);
+ });
+}
+
export async function computeUnitGaussianDensityCached(unit: Unit, props: GaussianDensityProps, cache: Map<string, DensityData>, ctx?: RuntimeContext) {
const key = `${props.radiusOffset}|${props.resolution}|${props.smoothness}`
let density = cache.get(key)