diff --git a/src/mol-geo/geometry/overpaint-data.ts b/src/mol-geo/geometry/overpaint-data.ts
index f7f4546ccc301e0d12155c46a787120cac15b0ad..875bef81b528dd5989f394dbfd4e0cfdf53870bb 100644
--- a/src/mol-geo/geometry/overpaint-data.ts
+++ b/src/mol-geo/geometry/overpaint-data.ts
@@ -23,6 +23,10 @@ export function applyOverpaintColor(array: Uint8Array, start: number, end: numbe
return true
}
+export function clearOverpaint(array: Uint8Array, start: number, end: number) {
+ array.fill(0, start, end)
+}
+
export function createOverpaint(count: number, overpaintData?: OverpaintData): OverpaintData {
const overpaint = createTextureImage(Math.max(1, count), 4, overpaintData && overpaintData.tOverpaint.ref.value.array)
if (overpaintData) {
diff --git a/src/mol-plugin/behavior/dynamic/representation.ts b/src/mol-plugin/behavior/dynamic/representation.ts
index 99fb4cf56adc549b2a5a26bb5d788b905794b233..097850d21756e9cb4c2c4b5d1330766f32b4dfbd 100644
--- a/src/mol-plugin/behavior/dynamic/representation.ts
+++ b/src/mol-plugin/behavior/dynamic/representation.ts
@@ -7,7 +7,7 @@
import { MarkerAction } from 'mol-geo/geometry/marker-data';
import { Mat4, Vec3 } from 'mol-math/linear-algebra';
-import { EmptyLoci, EveryLoci } from 'mol-model/loci';
+import { EmptyLoci } from 'mol-model/loci';
import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
import { PluginContext } from 'mol-plugin/context';
import { PluginStateObject } from 'mol-plugin/state/objects';
@@ -216,11 +216,28 @@ namespace ColorMappings {
export namespace ColorRepresentation3D {
export const Params = {
- query: PD.ScriptExpression({ language: 'mol-script', expression: '(sel.atom.atom-groups :residue-test (= atom.resname LYS))' }),
- color: PD.Color(ColorNames.blueviolet)
- // colorMappings: PD.Value<ColorMappings>([{ query: MS.struct.generator.atomGroups({
- // 'residue-test': MS.core.rel.eq([MS.ammp('auth_comp_id'), 'ALA'])
- // }), color: ColorNames.greenyellow }], { isHidden: true }),
+ layers: PD.ObjectList({
+ query: PD.ScriptExpression({ language: 'mol-script', expression: '(sel.atom.atom-groups :residue-test (= atom.resname LYS))' }),
+ color: PD.Color(ColorNames.blueviolet)
+ }, e => `${Color.toRgbString(e.color)}`, {
+ defaultValue: [
+ {
+ query: {
+ language: 'mol-script',
+ expression: '(sel.atom.atom-groups :residue-test (= atom.resname LYS))'
+ },
+ color: ColorNames.blueviolet
+ },
+ {
+ query: {
+ language: 'mol-script',
+ expression: '(sel.atom.atom-groups :residue-test (= atom.resname ALA))'
+ },
+ color: ColorNames.chartreuse
+ }
+ ]
+ }),
+ alpha: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }, { label: 'Opacity' }),
}
export type Params = PD.Values<typeof Params>
@@ -242,44 +259,43 @@ export namespace ColorRepresentation3D {
}
update(params: Params): boolean {
- const parsed = parseMolScript(params.query.expression);
- if (parsed.length === 0) throw new Error('No query');
- const query = transpileMolScript(parsed[0]);
-
- return this.applyMappings([{ query, color: params.color }])
+ const { layers, alpha } = params
+ const colorMappings: ColorMappings = []
+ for (let i = 0, il = params.layers.length; i < il; ++i) {
+ const { query, color } = layers[i]
+ const parsed = parseMolScript(query.expression);
+ if (parsed.length === 0) throw new Error('No query');
+ colorMappings.push({ query: transpileMolScript(parsed[0]), color })
+ }
+ return this.applyMappings(colorMappings, alpha)
}
- private applyMappings(colorMappings: ColorMappings): boolean {
+ private applyMappings(colorMappings: ColorMappings, alpha: number): boolean {
if (!this.updateData() && ColorMappings.areEqual(colorMappings, this.currentColorMappings)) return false;
this.currentColorMappings = colorMappings;
if (!this.repr.data || !this.structure.data) return true;
- const layers: Overpaint.Layers = [
- // unsets the overpaint
- // TODO do smarter by looking at the current color mappings
- { loci: EveryLoci, color: ColorNames.black, alpha: 0 }
- ]
- // console.log('currentColorMappings', this.currentColorMappings)
+ const list: Overpaint.Layer[] = []
for (let i = 0, il = this.currentColorMappings.length; i < il; ++i) {
const { query, color } = this.currentColorMappings[i]
const compiled = compile<StructureSelection>(query);
const result = compiled(new QueryContext(this.structure.data));
const loci = StructureSelection.toLoci2(result)
- layers.push({ loci, color, alpha: 1 })
+ list.push({ loci, color })
}
- return this.applyLayers(layers)
+ return this.applyLayers({ alpha, list }, true)
}
- private applyLayers(layers: Overpaint.Layers): boolean {
+ private applyLayers(layers: Overpaint.Layers, clear: boolean): boolean {
if (!this.repr.data) return true;
- this.repr.data.setOverpaint(layers)
+ this.repr.data.setOverpaint(layers, clear)
this.ctx.canvas3d.add(this.repr.data);
this.ctx.canvas3d.requestDraw(true);
return true;
}
unregister(): void {
- this.applyLayers([{ loci: EveryLoci, color: ColorNames.black, alpha: 0 }]) // clear
+ this.applyLayers(Overpaint.EmptyLayers, true) // clear
this.repr.cell = void 0;
this.structure.cell = void 0;
}
diff --git a/src/mol-repr/representation.ts b/src/mol-repr/representation.ts
index 3dbdc3f7656d8a8481ea08b29a7582d2afbf76ea..fc4316575b35cb732f4258e67a733f382706caf6 100644
--- a/src/mol-repr/representation.ts
+++ b/src/mol-repr/representation.ts
@@ -122,7 +122,7 @@ interface Representation<D, P extends PD.Params = {}, S extends Representation.S
createOrUpdate: (props?: Partial<PD.Values<P>>, data?: D) => Task<void>
setState: (state: Partial<S>) => void
setTheme: (theme: Theme) => void
- setOverpaint: (layers: Overpaint.Layers) => void
+ setOverpaint: (layers: Overpaint.Layers, clear?: boolean) => void
getLoci: (pickingId: PickingId) => ModelLoci
mark: (loci: ModelLoci, action: MarkerAction) => boolean
destroy: () => void
diff --git a/src/mol-repr/shape/representation.ts b/src/mol-repr/shape/representation.ts
index a22a0e5051c2897c9c3d2a348deeb3f77e961cdf..d64b46f74f3f54905a4b2e4fd6541f60952cc916 100644
--- a/src/mol-repr/shape/representation.ts
+++ b/src/mol-repr/shape/representation.ts
@@ -27,7 +27,7 @@ import { Visual } from 'mol-repr/visual';
import { createSizes } from 'mol-geo/geometry/size-data';
import { ShapeGroupSizeTheme } from 'mol-theme/size/shape-group';
import { Overpaint } from 'mol-theme/overpaint';
-import { applyOverpaintColor } from 'mol-geo/geometry/overpaint-data';
+import { applyOverpaintColor, createOverpaint, clearOverpaint } from 'mol-geo/geometry/overpaint-data';
export interface ShapeRepresentation<D, G extends Geometry, P extends Geometry.Params<G>> extends Representation<D, P> { }
@@ -203,21 +203,27 @@ export function ShapeRepresentation<D, G extends Geometry, P extends Geometry.Pa
setTheme(theme: Theme) {
console.warn('The `ShapeRepresentation` theme is fixed to `ShapeGroupColorTheme` and `ShapeGroupSizeTheme`. Colors are taken from `Shape.getColor` and sizes from `Shape.getSize`')
},
- setOverpaint(layers: Overpaint.Layers) {
+ setOverpaint(layers: Overpaint.Layers, clear?: boolean) {
if (!_renderObject) return false
const { tOverpaint } = _renderObject.values
- const { groupCount, instanceCount } = locationIt
+ const count = locationIt.groupCount * locationIt.instanceCount
+
+ // ensure texture has right size
+ createOverpaint(layers.list.length ? count : 0, _renderObject.values)
+
+ // clear if requested
+ if (clear) clearOverpaint(tOverpaint.ref.value.array, 0, count)
- for (let i = 0, il = layers.length; i < il; ++i) {
- const { loci, color, alpha } = layers[i]
+ for (let i = 0, il = layers.list.length; i < il; ++i) {
+ const { loci, color } = layers.list[i]
const apply = (interval: Interval) => {
const start = Interval.start(interval)
const end = Interval.end(interval)
- return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, alpha)
+ return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, layers.alpha)
}
if (isEveryLoci(loci) || (Shape.isLoci(loci) && loci.shape === _shape)) {
- apply(Interval.ofBounds(0, groupCount * instanceCount))
+ apply(Interval.ofBounds(0, count))
} else {
eachShapeLocation(loci, _shape, apply)
}
diff --git a/src/mol-repr/structure/complex-representation.ts b/src/mol-repr/structure/complex-representation.ts
index 4f5601885a1ef71cfe8b539f28c8b2fcccd05868..35664955fb2e2aad5cdaef99657ba061dd7e4aed 100644
--- a/src/mol-repr/structure/complex-representation.ts
+++ b/src/mol-repr/structure/complex-representation.ts
@@ -79,8 +79,8 @@ export function ComplexRepresentation<P extends StructureParams>(label: string,
_theme = theme
}
- function setOverpaint(layers: Overpaint.Layers) {
- if (visual) visual.setOverpaint(layers)
+ function setOverpaint(layers: Overpaint.Layers, clear?: boolean) {
+ if (visual) visual.setOverpaint(layers, clear)
}
function destroy() {
diff --git a/src/mol-repr/structure/complex-visual.ts b/src/mol-repr/structure/complex-visual.ts
index eae9e3c26b47e479af0d082bc4968ba03e1fe278..72cde149fa62f183d48122e9818efb887bf4495f 100644
--- a/src/mol-repr/structure/complex-visual.ts
+++ b/src/mol-repr/structure/complex-visual.ts
@@ -29,7 +29,7 @@ import { DirectVolume } from 'mol-geo/geometry/direct-volume/direct-volume';
import { Mat4 } from 'mol-math/linear-algebra';
import { createIdentityTransform } from 'mol-geo/geometry/transform-data';
import { Overpaint } from 'mol-theme/overpaint';
-import { applyOverpaintColor, createOverpaint } from 'mol-geo/geometry/overpaint-data';
+import { applyOverpaintColor, createOverpaint, clearOverpaint } from 'mol-geo/geometry/overpaint-data';
export interface ComplexVisual<P extends StructureParams> extends Visual<Structure, P> { }
@@ -208,24 +208,27 @@ export function ComplexVisual<G extends Geometry, P extends ComplexParams & Geom
setTransform(matrix?: Mat4, instanceMatrices?: Float32Array | null) {
Visual.setTransform(renderObject, matrix, instanceMatrices)
},
- setOverpaint(layers: Overpaint.Layers) {
+ setOverpaint(layers: Overpaint.Layers, clear = false) {
if (!renderObject) return false
const { tOverpaint } = renderObject.values
- const { groupCount, instanceCount } = locationIt
+ const count = locationIt.groupCount * locationIt.instanceCount
// ensure texture has right size
- createOverpaint(layers.length ? groupCount * instanceCount : 0, renderObject.values)
+ createOverpaint(layers.list.length ? count : 0, renderObject.values)
+
+ // clear if requested
+ if (clear) clearOverpaint(tOverpaint.ref.value.array, 0, count)
- for (let i = 0, il = layers.length; i < il; ++i) {
- const { loci, color, alpha } = layers[i]
+ for (let i = 0, il = layers.list.length; i < il; ++i) {
+ const { loci, color } = layers.list[i]
const apply = (interval: Interval) => {
const start = Interval.start(interval)
const end = Interval.end(interval)
- return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, alpha)
+ return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, layers.alpha)
}
if (isEveryLoci(loci) || (Structure.isLoci(loci) && Structure.areEquivalent(loci.structure, currentStructure))) {
- apply(Interval.ofBounds(0, groupCount * instanceCount))
+ apply(Interval.ofBounds(0, count))
} else {
eachLocation(loci, currentStructure, apply)
}
diff --git a/src/mol-repr/structure/units-representation.ts b/src/mol-repr/structure/units-representation.ts
index 7c479fd4a70083ef9af469b8d41f116e0b781261..7d7b65d8ed4140fce1478005dc24dfc076d2ac15 100644
--- a/src/mol-repr/structure/units-representation.ts
+++ b/src/mol-repr/structure/units-representation.ts
@@ -194,8 +194,8 @@ export function UnitsRepresentation<P extends UnitsParams>(label: string, ctx: R
_theme = theme
}
- function setOverpaint(layers: Overpaint.Layers) {
- visuals.forEach(({ visual }) => visual.setOverpaint(layers))
+ function setOverpaint(layers: Overpaint.Layers, clear?: boolean) {
+ visuals.forEach(({ visual }) => visual.setOverpaint(layers, clear))
}
function destroy() {
diff --git a/src/mol-repr/structure/units-visual.ts b/src/mol-repr/structure/units-visual.ts
index c21157b2ab36cd433b113be9009d8a116277c1c8..52ddc036b2dd94898fb777b62f0b66ea79ba31b4 100644
--- a/src/mol-repr/structure/units-visual.ts
+++ b/src/mol-repr/structure/units-visual.ts
@@ -32,7 +32,7 @@ import { Mat4 } from 'mol-math/linear-algebra';
import { Spheres } from 'mol-geo/geometry/spheres/spheres';
import { createUnitsTransform, includesUnitKind } from './visual/util/common';
import { Overpaint } from 'mol-theme/overpaint';
-import { applyOverpaintColor, createOverpaint } from 'mol-geo/geometry/overpaint-data';
+import { applyOverpaintColor, createOverpaint, clearOverpaint } from 'mol-geo/geometry/overpaint-data';
export type StructureGroup = { structure: Structure, group: Unit.SymmetryGroup }
@@ -254,24 +254,27 @@ export function UnitsVisual<G extends Geometry, P extends UnitsParams & Geometry
setTransform(matrix?: Mat4, instanceMatrices?: Float32Array | null) {
Visual.setTransform(renderObject, matrix, instanceMatrices)
},
- setOverpaint(layers: Overpaint.Layers) {
+ setOverpaint(layers: Overpaint.Layers, clear = false) {
if (!renderObject) return false
const { tOverpaint } = renderObject.values
- const { groupCount, instanceCount } = locationIt
+ const count = locationIt.groupCount * locationIt.instanceCount
// ensure texture has right size
- createOverpaint(layers.length ? groupCount * instanceCount : 0, renderObject.values)
+ createOverpaint(layers.list.length ? count : 0, renderObject.values)
+
+ // clear if requested
+ if (clear) clearOverpaint(tOverpaint.ref.value.array, 0, count)
- for (let i = 0, il = layers.length; i < il; ++i) {
- const { loci, color, alpha } = layers[i]
+ for (let i = 0, il = layers.list.length; i < il; ++i) {
+ const { loci, color } = layers.list[i]
const apply = (interval: Interval) => {
const start = Interval.start(interval)
const end = Interval.end(interval)
- return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, alpha)
+ return applyOverpaintColor(tOverpaint.ref.value.array, start, end, color, layers.alpha)
}
if (isEveryLoci(loci) || (Structure.isLoci(loci) && Structure.areEquivalent(loci.structure, currentStructureGroup.structure))) {
- apply(Interval.ofBounds(0, groupCount * instanceCount))
+ apply(Interval.ofBounds(0, count))
} else {
eachLocation(loci, currentStructureGroup, apply)
}
diff --git a/src/mol-repr/visual.ts b/src/mol-repr/visual.ts
index 5bfef7954e8e0e1c88c28873b8186e4280d76465..9e62ed398d3827dcc4ba9ae61e3510749a24f045 100644
--- a/src/mol-repr/visual.ts
+++ b/src/mol-repr/visual.ts
@@ -36,7 +36,7 @@ interface Visual<D, P extends PD.Params> {
setAlphaFactor: (alphaFactor: number) => void
setPickable: (pickable: boolean) => void
setTransform: (matrix?: Mat4, instanceMatrices?: Float32Array | null) => void
- setOverpaint: (layers: Overpaint.Layers) => void
+ setOverpaint: (layers: Overpaint.Layers, clear?: boolean) => void
destroy: () => void
}
namespace Visual {
diff --git a/src/mol-repr/volume/representation.ts b/src/mol-repr/volume/representation.ts
index 926f70f2ed5b28455b7f6be9eea4876cf701942b..c527c22874e8d9d667da6e405e163d03d663390f 100644
--- a/src/mol-repr/volume/representation.ts
+++ b/src/mol-repr/volume/representation.ts
@@ -194,7 +194,7 @@ export function VolumeVisual<G extends Geometry, P extends VolumeParams & Geomet
setTransform(matrix?: Mat4, instanceMatrices?: Float32Array | null) {
Visual.setTransform(renderObject, matrix, instanceMatrices)
},
- setOverpaint(layers: Overpaint.Layers) {
+ setOverpaint(layers: Overpaint.Layers, clear?: boolean) {
return false // TODO
},
destroy() {
diff --git a/src/mol-theme/overpaint.ts b/src/mol-theme/overpaint.ts
index b512a08aef9511dd36e11f740ce6c4d8f7dfcb4d..cf61621ef8f9185e7067df84b650ffe7e916bc55 100644
--- a/src/mol-theme/overpaint.ts
+++ b/src/mol-theme/overpaint.ts
@@ -9,20 +9,17 @@ import { Color } from 'mol-util/color';
export { Overpaint }
namespace Overpaint {
- export interface Layer {
- loci: Loci
- color: Color
- alpha: number
- }
- export type Layers = Layer[]
+ export type Layer = { readonly loci: Loci, readonly color: Color }
+ export type Layers = { list: ReadonlyArray<Layer>, readonly alpha: number }
+ export const EmptyLayers: Layers = { list: [], alpha: 1 }
export function areEqual(layersA: Layers, layersB: Layers) {
- if (layersA.length === 0 && layersB.length === 0) return true
- if (layersA.length !== layersB.length) return false
- for (let i = 0, il = layersA.length; i < il; ++i) {
- if (layersA[i].alpha !== layersB[i].alpha) return false
- if (layersA[i].color !== layersB[i].color) return false
- if (!Loci.areEqual(layersA[i].loci, layersB[i].loci)) return false
+ if (layersA.list.length === 0 && layersB.list.length === 0) return true
+ if (layersA.list.length !== layersB.list.length) return false
+ if (layersA.alpha !== layersB.alpha) return false
+ for (let i = 0, il = layersA.list.length; i < il; ++i) {
+ if (layersA.list[i].color !== layersB.list[i].color) return false
+ if (!Loci.areEqual(layersA.list[i].loci, layersB.list[i].loci)) return false
}
return true
}