diff --git a/src/mol-geo/representation/index.ts b/src/mol-geo/representation/index.ts
index 0d16ead2e558a541588c9f86757e5886cc7f2a8d..3bb9db0d29abeaa5fca0a07c80490c0fd0da4b6f 100644
--- a/src/mol-geo/representation/index.ts
+++ b/src/mol-geo/representation/index.ts
@@ -6,6 +6,7 @@
import { Task } from 'mol-task'
import { RenderObject } from 'mol-gl/render-object';
+import { PickingId, PickingInfo } from '../util/picking';
export interface RepresentationProps {}
@@ -13,4 +14,5 @@ export interface Representation<D, P extends RepresentationProps = {}> {
renderObjects: ReadonlyArray<RenderObject>
create: (data: D, props?: P) => Task<void>
update: (props: P) => Task<void>
+ getLabel: (pickingId: PickingId) => PickingInfo | null
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/index.ts b/src/mol-geo/representation/structure/index.ts
index 11f21138d1a0604fc873c5a7cbfd6cef097d6746..508e4a45436aecb59dd0dfddb072bad9940a37b3 100644
--- a/src/mol-geo/representation/structure/index.ts
+++ b/src/mol-geo/representation/structure/index.ts
@@ -5,22 +5,26 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
-import { Structure, StructureSymmetry, Unit } from 'mol-model/structure';
+import { Structure, StructureSymmetry, Unit, Element, Queries } from 'mol-model/structure';
import { Task } from 'mol-task'
import { RenderObject } from 'mol-gl/render-object';
import { Representation, RepresentationProps } from '..';
import { ColorTheme } from '../../theme';
+import { PickingId, PickingInfo } from '../../util/picking';
export interface UnitsRepresentation<P> {
renderObjects: ReadonlyArray<RenderObject>
create: (group: Unit.SymmetryGroup, props: P) => Task<void>
update: (props: P) => Task<boolean>
+ getLocation: (pickingId: PickingId) => Element.Location | null
}
export interface StructureRepresentation<P extends RepresentationProps = {}> extends Representation<Structure, P> {
renderObjects: ReadonlyArray<RenderObject>
create: (structure: Structure, props?: P) => Task<void>
update: (props: P) => Task<void>
+ getLocation: (pickingId: PickingId) => Element.Location | null
+ getLabel: (pickingId: PickingId) => PickingInfo | null
}
interface GroupRepresentation<T> {
@@ -28,6 +32,36 @@ interface GroupRepresentation<T> {
group: Unit.SymmetryGroup
}
+function label(loc: Element.Location) {
+ const model = loc.unit.model.label
+ const instance = loc.unit.label
+ let element = ''
+
+ if (Unit.isAtomic(loc.unit)) {
+ const asym_id = Queries.props.chain.auth_asym_id(loc)
+ const seq_id = Queries.props.residue.auth_seq_id(loc)
+ const comp_id = Queries.props.residue.auth_comp_id(loc)
+ const atom_id = Queries.props.atom.auth_atom_id(loc)
+ element = `[${comp_id}]${seq_id}:${asym_id}.${atom_id}`
+ } else if (Unit.isCoarse(loc.unit)) {
+ const asym_id = Queries.props.coarse.asym_id(loc)
+ const seq_id_begin = Queries.props.coarse.seq_id_begin(loc)
+ const seq_id_end = Queries.props.coarse.seq_id_end(loc)
+ if (seq_id_begin === seq_id_end) {
+ const entityKey = Queries.props.coarse.entityKey(loc)
+ const seq = loc.unit.model.sequence.byEntityKey[entityKey]
+ const comp_id = seq.compId.value(seq_id_begin)
+ element = `[${comp_id}]${seq_id_begin}:${asym_id}`
+ } else {
+ element = `${seq_id_begin}-${seq_id_end}:${asym_id}`
+ }
+ } else {
+ element = 'unknown'
+ }
+
+ return { label: `${model} ${instance} ${element}` }
+}
+
export const DefaultStructureProps = {
colorTheme: { name: 'instance-index' } as ColorTheme,
alpha: 1,
@@ -42,6 +76,14 @@ export function StructureRepresentation<P extends StructureProps>(reprCtor: () =
const groupReprs: GroupRepresentation<P>[] = []
// let currentProps: typeof DefaultStructureProps
+ function getLocation(pickingId: PickingId) {
+ for (let i = 0, il = groupReprs.length; i < il; ++i) {
+ const loc = groupReprs[i].repr.getLocation(pickingId)
+ if (loc) return loc
+ }
+ return null
+ }
+
return {
renderObjects,
create(structure: Structure, props: P = {} as P) {
@@ -77,6 +119,11 @@ export function StructureRepresentation<P extends StructureProps>(reprCtor: () =
renderObjects.push(...repr.renderObjects)
}
})
+ },
+ getLocation,
+ getLabel(pickingId: PickingId) {
+ const loc = getLocation(pickingId)
+ return loc ? label(loc) : null
}
}
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/point.ts b/src/mol-geo/representation/structure/point.ts
index 19ae6a5fd9f82f8a258daaa09c3abb1a711ff6a5..a6498587ceb75378f16d7bcdcbab5d36dfe72515 100644
--- a/src/mol-geo/representation/structure/point.ts
+++ b/src/mol-geo/representation/structure/point.ts
@@ -18,6 +18,7 @@ import { createTransforms, createColors, createSizes } from './utils';
import { deepEqual, defaults } from 'mol-util';
import { SortedArray } from 'mol-data/int';
import { RenderableState, PointValues } from 'mol-gl/renderable';
+import { PickingId } from '../../util/picking';
export const DefaultPointProps = {
colorTheme: { name: 'instance-index' } as ColorTheme,
@@ -50,7 +51,8 @@ export function createPointVertices(unit: Unit) {
export default function Point(): UnitsRepresentation<PointProps> {
const renderObjects: RenderObject[] = []
let points: PointRenderObject
- let curProps = DefaultPointProps
+ let currentProps = DefaultPointProps
+ let currentGroup: Unit.SymmetryGroup
let _units: ReadonlyArray<Unit>
let _elements: SortedArray
@@ -58,14 +60,16 @@ export default function Point(): UnitsRepresentation<PointProps> {
return {
renderObjects,
create(group: Unit.SymmetryGroup, props: PointProps = {}) {
+ currentProps = Object.assign({}, DefaultPointProps, props)
+
return Task.create('Point.create', async ctx => {
renderObjects.length = 0 // clear
- curProps = { ...DefaultPointProps, ...props }
+ currentGroup = group
_units = group.units
_elements = group.elements;
- const { colorTheme, sizeTheme } = curProps
+ const { colorTheme, sizeTheme } = currentProps
const elementCount = _elements.length
const vertexMap = VertexMap.create(
@@ -119,8 +123,8 @@ export default function Point(): UnitsRepresentation<PointProps> {
return Task.create('Point.update', async ctx => {
if (!points || !_units || !_elements) return false
- const newProps = { ...curProps, ...props }
- if (deepEqual(curProps, newProps)) {
+ const newProps = { ...currentProps, ...props }
+ if (deepEqual(currentProps, newProps)) {
console.log('props identical, nothing to change')
return true
}
@@ -135,20 +139,30 @@ export default function Point(): UnitsRepresentation<PointProps> {
// fillSerial(new Uint32Array(elementCount + 1))
// )
- if (!deepEqual(curProps.colorTheme, newProps.colorTheme)) {
- console.log('colorTheme changed', curProps.colorTheme, newProps.colorTheme)
+ if (!deepEqual(currentProps.colorTheme, newProps.colorTheme)) {
+ console.log('colorTheme changed', currentProps.colorTheme, newProps.colorTheme)
// await ctx.update('Computing point colors');
// const color = createColors(_units, _elementGroup, vertexMap, newProps.colorTheme)
// ValueCell.update(points.props.color, color)
}
- if (!deepEqual(curProps.sizeTheme, newProps.sizeTheme)) {
- console.log('sizeTheme changed', curProps.sizeTheme, newProps.sizeTheme)
+ if (!deepEqual(currentProps.sizeTheme, newProps.sizeTheme)) {
+ console.log('sizeTheme changed', currentProps.sizeTheme, newProps.sizeTheme)
}
- curProps = newProps
+ currentProps = newProps
return false
})
+ },
+ getLocation(pickingId: PickingId) {
+ const { objectId, instanceId, elementId } = pickingId
+ if (points.id === objectId) {
+ const l = Element.Location()
+ l.unit = currentGroup.units[instanceId]
+ l.element = currentGroup.elements[elementId]
+ return l
+ }
+ return null
}
}
}
diff --git a/src/mol-geo/representation/structure/spacefill.ts b/src/mol-geo/representation/structure/spacefill.ts
index b70a9bef3356a0c38d8284bb6413825df7edbe7b..fe2e6141cdad467942a0201c89c5bbf64245028a 100644
--- a/src/mol-geo/representation/structure/spacefill.ts
+++ b/src/mol-geo/representation/structure/spacefill.ts
@@ -22,6 +22,7 @@ import { fillSerial } from 'mol-gl/renderable/util';
import { RenderableState, MeshValues } from 'mol-gl/renderable';
import { getMeshData } from '../../util/mesh-data';
import { Mesh } from '../../shape/mesh';
+import { PickingId } from '../../util/picking';
export const DefaultSpacefillProps = {
...DefaultStructureProps,
@@ -70,9 +71,7 @@ function createSpacefillMesh(unit: Unit, detail: number, mesh?: Mesh) {
}
}
- const _mesh = meshBuilder.getMesh()
- console.log(_mesh)
- return _mesh
+ return meshBuilder.getMesh()
})
}
@@ -171,6 +170,16 @@ export default function Spacefill(): UnitsRepresentation<SpacefillProps> {
currentProps = newProps
return true
})
+ },
+ getLocation(pickingId: PickingId) {
+ const { objectId, instanceId, elementId } = pickingId
+ if (spheres.id === objectId) {
+ const l = Element.Location()
+ l.unit = currentGroup.units[instanceId]
+ l.element = currentGroup.elements[elementId]
+ return l
+ }
+ return null
}
}
}
diff --git a/src/mol-geo/representation/volume/index.ts b/src/mol-geo/representation/volume/index.ts
index 5baece8ad324f559ef85c58e6acb23128e2816fd..f8edfdaad75d5dbce7d9e2c4fad7a793b9d02d56 100644
--- a/src/mol-geo/representation/volume/index.ts
+++ b/src/mol-geo/representation/volume/index.ts
@@ -8,17 +8,20 @@ import { Task } from 'mol-task'
import { RenderObject } from 'mol-gl/render-object';
import { RepresentationProps, Representation } from '..';
import { VolumeData } from 'mol-model/volume';
+import { PickingId, PickingInfo } from '../../util/picking';
export interface VolumeElementRepresentation<P> {
renderObjects: ReadonlyArray<RenderObject>
create: (volumeData: VolumeData, props: P) => Task<void>
update: (props: P) => Task<boolean>
+ getLabel: (pickingId: PickingId) => PickingInfo | null
}
export interface VolumeRepresentation<P extends RepresentationProps = {}> extends Representation<VolumeData, P> {
renderObjects: ReadonlyArray<RenderObject>
create: (volumeData: VolumeData, props?: P) => Task<void>
update: (props: P) => Task<void>
+ getLabel: (pickingId: PickingId) => PickingInfo | null
}
export function VolumeRepresentation<P>(reprCtor: () => VolumeElementRepresentation<P>): VolumeRepresentation<P> {
@@ -35,6 +38,9 @@ export function VolumeRepresentation<P>(reprCtor: () => VolumeElementRepresentat
},
update(props: P) {
return Task.create('VolumeRepresentation.update', async ctx => {})
+ },
+ getLabel(pickingId: PickingId) {
+ return null
}
}
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/volume/surface.ts b/src/mol-geo/representation/volume/surface.ts
index 7e528a99a235dfdb1bf1f9f94535cf9fd4c746a8..16071c84a0f802cd7d7a25bae157c5ce95b78631 100644
--- a/src/mol-geo/representation/volume/surface.ts
+++ b/src/mol-geo/representation/volume/surface.ts
@@ -17,6 +17,7 @@ import { Mat4 } from 'mol-math/linear-algebra';
import { createUniformColor } from '../../util/color-data';
import { getMeshData } from '../../util/mesh-data';
import { RenderableState, MeshValues } from 'mol-gl/renderable';
+import { PickingId } from '../../util/picking';
export function computeVolumeSurface(volume: VolumeData, isoValue: VolumeIsoValue) {
return Task.create<Mesh>('Volume Surface', async ctx => {
@@ -99,6 +100,9 @@ export default function Surface(): VolumeElementRepresentation<SurfaceProps> {
// TODO
return false
})
+ },
+ getLabel(pickingId: PickingId) {
+ return null
}
}
}
diff --git a/src/mol-geo/util/color-data.ts b/src/mol-geo/util/color-data.ts
index 09dfc525f08bc14a226198cc67f285cf7dcb01f1..0da692da97f6c69e077ea7409b4890be547bfc74 100644
--- a/src/mol-geo/util/color-data.ts
+++ b/src/mol-geo/util/color-data.ts
@@ -62,7 +62,6 @@ export function createAttributeColor(props: AttributeColorProps, colorData?: Col
}
}
if (colorData) {
- console.log('update colordata attribute')
ValueCell.update(colorData.aColor, colors)
if (colorData.dColorType.ref.value !== 'attribute') {
ValueCell.update(colorData.dColorType, 'attribute')
@@ -81,7 +80,6 @@ export function createAttributeColor(props: AttributeColorProps, colorData?: Col
export function createTextureColor(colors: TextureImage, type: ColorType, colorData?: ColorData): ColorData {
if (colorData) {
- console.log('update colordata texture')
ValueCell.update(colorData.tColor, colors)
ValueCell.update(colorData.uColorTexSize, Vec2.create(colors.width, colors.height))
if (colorData.dColorType.ref.value !== type) {
diff --git a/src/mol-geo/util/picking.ts b/src/mol-geo/util/picking.ts
new file mode 100644
index 0000000000000000000000000000000000000000..00d12d6fd6d297ad232fb81720eb0dc8dd63f252
--- /dev/null
+++ b/src/mol-geo/util/picking.ts
@@ -0,0 +1,27 @@
+/**
+ * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+function decodeFloatRGBA(r: number, g: number, b: number) {
+ r = Math.floor(r)
+ g = Math.floor(g)
+ b = Math.floor(b)
+ return r * 256 * 256 + g * 256 + b
+}
+
+export function decodeIdRGBA(r: number, g: number, b: number) {
+ return decodeFloatRGBA(r, g, b) - 1
+}
+
+export interface PickingId {
+ objectId: number
+ instanceId: number
+ elementId: number
+}
+
+export interface PickingInfo {
+ label: string
+ data?: any
+}
\ No newline at end of file
diff --git a/src/mol-view/viewer.ts b/src/mol-view/viewer.ts
index 9c15ddc61bffa34364f9c913f6f8d6429cb78449..0f090610cf8ebeb354a313f121aa99f7e091b576 100644
--- a/src/mol-view/viewer.ts
+++ b/src/mol-view/viewer.ts
@@ -21,23 +21,7 @@ import { Representation } from 'mol-geo/representation';
import { createRenderTarget } from 'mol-gl/webgl/render-target';
import Scene from 'mol-gl/scene';
import { RenderVariant } from 'mol-gl/webgl/render-item';
-
-function decodeFloatRGBA(r: number, g: number, b: number) {
- r = Math.floor(r)
- g = Math.floor(g)
- b = Math.floor(b)
- return r * 256 * 256 + g * 256 + b
-}
-
-function decodeIdRGBA(r: number, g: number, b: number) {
- return decodeFloatRGBA(r, g, b) - 1
-}
-
-interface PickingId {
- objectId: number
- instanceId: number
- elementId: number
-}
+import { PickingId, decodeIdRGBA } from 'mol-geo/util/picking';
interface Viewer {
center: (p: Vec3) => void
@@ -94,7 +78,12 @@ namespace Viewer {
input.resize.subscribe(handleResize)
input.move.subscribe(({x, y}) => {
const p = identify(x, y)
- identified.next(`Object: ${p.objectId}, Instance: ${p.instanceId}, Element: ${p.elementId}`)
+ let label = ''
+ reprMap.forEach((roSet, repr) => {
+ const info = repr.getLabel(p)
+ if (info) label = info.label
+ })
+ identified.next(`Object: ${p.objectId}, Instance: ${p.instanceId}, Element: ${p.elementId}, Label: ${label}`)
})
const camera = PerspectiveCamera.create({