From d75abea83d572d21872a726ddda191ff1789bef2 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Tue, 4 Sep 2018 17:30:25 -0700
Subject: [PATCH] wip, representations
---
src/mol-geo/representation/shape/index.ts | 1 +
.../structure/representation/point.ts | 29 ++++++++++++++++++-
.../structure/representation/spacefill.ts | 29 ++++++++++++++++++-
.../structure/units-representation.ts | 16 +++++-----
.../representation/structure/units-visual.ts | 12 ++++++--
.../structure/visual/element-point.ts | 12 ++++++--
.../structure/visual/util/common.ts | 3 +-
7 files changed, 87 insertions(+), 15 deletions(-)
diff --git a/src/mol-geo/representation/shape/index.ts b/src/mol-geo/representation/shape/index.ts
index 52ee7ebc4..2aec89462 100644
--- a/src/mol-geo/representation/shape/index.ts
+++ b/src/mol-geo/representation/shape/index.ts
@@ -25,6 +25,7 @@ export interface ShapeRepresentation<P extends RepresentationProps = {}> extends
export const DefaultShapeProps = {
...DefaultMeshProps,
+
colorTheme: { name: 'shape-group' } as ColorThemeProps
}
export type ShapeProps = typeof DefaultShapeProps
diff --git a/src/mol-geo/representation/structure/representation/point.ts b/src/mol-geo/representation/structure/representation/point.ts
index 5a3e60475..d9a2de382 100644
--- a/src/mol-geo/representation/structure/representation/point.ts
+++ b/src/mol-geo/representation/structure/representation/point.ts
@@ -7,6 +7,10 @@
import { UnitsRepresentation } from '..';
import { ElementPointVisual, DefaultElementPointProps } from '../visual/element-point';
import { StructureRepresentation } from '../units-representation';
+import { Structure } from 'mol-model/structure';
+import { MarkerAction } from '../../../util/marker-data';
+import { Loci } from 'mol-model/loci';
+import { PickingId } from '../../../util/picking';
export const DefaultPointProps = {
...DefaultElementPointProps,
@@ -16,5 +20,28 @@ export type PointProps = typeof DefaultPointProps
export type PointRepresentation = StructureRepresentation<PointProps>
export function PointRepresentation(): PointRepresentation {
- return UnitsRepresentation('Point', ElementPointVisual)
+ let currentProps: PointProps
+ const pointRepr = UnitsRepresentation('Point', ElementPointVisual)
+ return {
+ label: 'Point',
+ get renderObjects() {
+ return [ ...pointRepr.renderObjects ]
+ },
+ get props() {
+ return { ...pointRepr.props }
+ },
+ createOrUpdate: (props: Partial<PointProps> = {}, structure?: Structure) => {
+ currentProps = Object.assign({}, DefaultPointProps, props)
+ return pointRepr.createOrUpdate(currentProps, structure)
+ },
+ getLoci: (pickingId: PickingId) => {
+ return pointRepr.getLoci(pickingId)
+ },
+ mark: (loci: Loci, action: MarkerAction) => {
+ pointRepr.mark(loci, action)
+ },
+ destroy() {
+ pointRepr.destroy()
+ }
+ }
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/representation/spacefill.ts b/src/mol-geo/representation/structure/representation/spacefill.ts
index ede5bb1b7..355334932 100644
--- a/src/mol-geo/representation/structure/representation/spacefill.ts
+++ b/src/mol-geo/representation/structure/representation/spacefill.ts
@@ -7,6 +7,10 @@
import { UnitsRepresentation } from '..';
import { ElementSphereVisual, DefaultElementSphereProps } from '../visual/element-sphere';
import { StructureRepresentation } from '../units-representation';
+import { Structure } from 'mol-model/structure';
+import { PickingId } from '../../../util/picking';
+import { MarkerAction } from '../../../util/marker-data';
+import { Loci } from 'mol-model/loci';
export const DefaultSpacefillProps = {
...DefaultElementSphereProps
@@ -16,5 +20,28 @@ export type SpacefillProps = typeof DefaultSpacefillProps
export type SpacefillRepresentation = StructureRepresentation<SpacefillProps>
export function SpacefillRepresentation(): SpacefillRepresentation {
- return UnitsRepresentation('Spacefill', ElementSphereVisual)
+ let currentProps: SpacefillProps
+ const sphereRepr = UnitsRepresentation('Sphere mesh', ElementSphereVisual)
+ return {
+ label: 'Spacefill',
+ get renderObjects() {
+ return [ ...sphereRepr.renderObjects ]
+ },
+ get props() {
+ return { ...sphereRepr.props }
+ },
+ createOrUpdate: (props: Partial<SpacefillProps> = {}, structure?: Structure) => {
+ currentProps = Object.assign({}, DefaultSpacefillProps, props)
+ return sphereRepr.createOrUpdate(currentProps, structure)
+ },
+ getLoci: (pickingId: PickingId) => {
+ return sphereRepr.getLoci(pickingId)
+ },
+ mark: (loci: Loci, action: MarkerAction) => {
+ sphereRepr.mark(loci, action)
+ },
+ destroy() {
+ sphereRepr.destroy()
+ }
+ }
}
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/units-representation.ts b/src/mol-geo/representation/structure/units-representation.ts
index 17f85e2f6..d88f68cb0 100644
--- a/src/mol-geo/representation/structure/units-representation.ts
+++ b/src/mol-geo/representation/structure/units-representation.ts
@@ -14,8 +14,9 @@ import { Loci, EmptyLoci, isEmptyLoci } from 'mol-model/loci';
import { MarkerAction } from '../../util/marker-data';
import { getQualityProps } from '../util';
import { StructureProps } from '.';
+import { StructureGroup } from './units-visual';
-export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<Unit.SymmetryGroup, P> { }
+export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<StructureGroup, P> { }
export interface StructureVisual<P extends RepresentationProps = {}> extends Visual<Structure, P> { }
export interface StructureRepresentation<P extends RepresentationProps = {}> extends Representation<Structure, P> { }
@@ -28,8 +29,8 @@ export function UnitsRepresentation<P extends StructureProps>(label: string, vis
let _groups: ReadonlyArray<Unit.SymmetryGroup>
function createOrUpdate(props: Partial<P> = {}, structure?: Structure) {
+ console.log(props)
_props = Object.assign({}, _props, props, getQualityProps(props, structure))
- _props.colorTheme.structure = structure
return Task.create('Creating or updating StructureRepresentation', async ctx => {
if (!_structure && !structure) {
@@ -40,7 +41,7 @@ export function UnitsRepresentation<P extends StructureProps>(label: string, vis
for (let i = 0; i < _groups.length; i++) {
const group = _groups[i];
const visual = visualCtor()
- await visual.createOrUpdate(ctx, _props, group)
+ await visual.createOrUpdate(ctx, _props, { group, structure })
visuals.set(group.hashCode, { visual, group })
}
} else if (structure && _structure.hashCode !== structure.hashCode) {
@@ -55,18 +56,19 @@ export function UnitsRepresentation<P extends StructureProps>(label: string, vis
const visualGroup = oldVisuals.get(group.hashCode)
if (visualGroup) {
const { visual } = visualGroup
- await visual.createOrUpdate(ctx, _props, group)
+ await visual.createOrUpdate(ctx, _props, { group, structure })
visuals.set(group.hashCode, { visual, group })
oldVisuals.delete(group.hashCode)
} else {
// newGroups.push(group)
const visual = visualCtor()
- await visual.createOrUpdate(ctx, _props, group)
+ await visual.createOrUpdate(ctx, _props, { group, structure })
visuals.set(group.hashCode, { visual, group })
}
}
oldVisuals.forEach(({ visual }) => visual.destroy())
+ // TODO review logic
// For new groups, re-use left-over visuals
// const unusedVisuals: UnitsVisual<P>[] = []
// oldVisuals.forEach(({ visual }) => unusedVisuals.push(visual))
@@ -85,7 +87,7 @@ export function UnitsRepresentation<P extends StructureProps>(label: string, vis
const group = _groups[i];
const visualGroup = visuals.get(group.hashCode)
if (visualGroup) {
- await visualGroup.visual.createOrUpdate(ctx, _props, group)
+ await visualGroup.visual.createOrUpdate(ctx, _props, { group, structure })
visualGroup.group = group
} else {
throw new Error(`expected to find visual for hashCode ${group.hashCode}`)
@@ -94,7 +96,7 @@ export function UnitsRepresentation<P extends StructureProps>(label: string, vis
} else {
// No new structure given, just update all visuals with new props.
visuals.forEach(async ({ visual, group }) => {
- await visual.createOrUpdate(ctx, _props, group)
+ await visual.createOrUpdate(ctx, _props, { group, structure: _structure })
})
}
if (structure) _structure = structure
diff --git a/src/mol-geo/representation/structure/units-visual.ts b/src/mol-geo/representation/structure/units-visual.ts
index 40914b11b..fa7467ba0 100644
--- a/src/mol-geo/representation/structure/units-visual.ts
+++ b/src/mol-geo/representation/structure/units-visual.ts
@@ -4,7 +4,7 @@
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
-import { Unit } from 'mol-model/structure';
+import { Unit, Structure } from 'mol-model/structure';
import { RepresentationProps, Visual } from '..';
import { DefaultStructureMeshProps, MeshUpdateState } from '.';
import { RuntimeContext } from 'mol-task';
@@ -20,7 +20,9 @@ import { updateMeshValues, updateRenderableState } from '../util';
import { Interval } from 'mol-data/int';
import { createTransforms } from '../../util/transform-data';
-export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<Unit.SymmetryGroup, P> { }
+export type StructureGroup = { structure: Structure, group: Unit.SymmetryGroup }
+
+export interface UnitsVisual<P extends RepresentationProps = {}> extends Visual<StructureGroup, P> { }
export const DefaultUnitsMeshProps = {
...DefaultStructureMeshProps,
@@ -45,11 +47,13 @@ export function UnitsMeshVisual<P extends UnitsMeshProps>(builder: UnitsMeshVisu
let currentProps: P
let mesh: Mesh
let currentGroup: Unit.SymmetryGroup
+ let currentStructure: Structure
let locationIt: LocationIterator
let currentConformationId: UUID
async function create(ctx: RuntimeContext, group: Unit.SymmetryGroup, props: Partial<P> = {}) {
currentProps = Object.assign({}, defaultProps, props)
+ currentProps.colorTheme.structure = currentStructure
currentGroup = group
const unit = group.units[0]
@@ -115,7 +119,9 @@ export function UnitsMeshVisual<P extends UnitsMeshProps>(builder: UnitsMeshVisu
return {
get renderObject () { return renderObject },
- async createOrUpdate(ctx: RuntimeContext, props: Partial<P> = {}, group?: Unit.SymmetryGroup) {
+ async createOrUpdate(ctx: RuntimeContext, props: Partial<P> = {}, structureGroup?: StructureGroup) {
+ if (structureGroup) currentStructure = structureGroup.structure
+ const group = structureGroup ? structureGroup.group : undefined
if (!group && !currentGroup) {
throw new Error('missing group')
} else if (group && (!currentGroup || !renderObject)) {
diff --git a/src/mol-geo/representation/structure/visual/element-point.ts b/src/mol-geo/representation/structure/visual/element-point.ts
index 924db42c3..9c9dec03f 100644
--- a/src/mol-geo/representation/structure/visual/element-point.ts
+++ b/src/mol-geo/representation/structure/visual/element-point.ts
@@ -7,7 +7,7 @@
import { ValueCell } from 'mol-util/value-cell'
import { PointRenderObject } from 'mol-gl/render-object'
-import { Unit } from 'mol-model/structure';
+import { Unit, Structure } from 'mol-model/structure';
import { RuntimeContext } from 'mol-task'
import { UnitsVisual, DefaultStructureProps } from '..';
import { getElementLoci, StructureElementIterator, markElement } from './util/element';
@@ -22,6 +22,8 @@ import { fillSerial } from 'mol-util/array';
import { SizeThemeProps } from 'mol-view/theme/size';
import { LocationIterator } from '../../../util/location-iterator';
import { createTransforms } from '../../../util/transform-data';
+import { StructureGroup } from '../units-visual';
+import { updateRenderableState } from '../../util';
export const DefaultElementPointProps = {
...DefaultStructureProps,
@@ -57,17 +59,21 @@ export function ElementPointVisual(): UnitsVisual<ElementPointProps> {
let renderObject: PointRenderObject | undefined
let currentProps = DefaultElementPointProps
let currentGroup: Unit.SymmetryGroup
+ let currentStructure: Structure
let locationIt: LocationIterator
let vertices: ValueCell<Float32Array>
let currentConformationId: UUID
return {
get renderObject () { return renderObject },
- async createOrUpdate(ctx: RuntimeContext, props: ElementPointProps = {}, group?: Unit.SymmetryGroup) {
+ async createOrUpdate(ctx: RuntimeContext, props: ElementPointProps = {}, structureGroup?: StructureGroup) {
+ if (structureGroup) currentStructure = structureGroup.structure
+ const group = structureGroup ? structureGroup.group : undefined
if (!group && !currentGroup) {
throw new Error('missing group')
} else if (group && !currentGroup) {
currentProps = Object.assign({}, DefaultElementPointProps, props)
+ currentProps.colorTheme.structure = currentStructure
currentGroup = group
locationIt = StructureElementIterator.fromGroup(group)
@@ -124,6 +130,8 @@ export function ElementPointVisual(): UnitsVisual<ElementPointProps> {
await createSizes(ctx, locationIt, newProps.sizeTheme, renderObject.values)
}
+ updateRenderableState(renderObject.state, newProps)
+
currentProps = newProps
}
},
diff --git a/src/mol-geo/representation/structure/visual/util/common.ts b/src/mol-geo/representation/structure/visual/util/common.ts
index b5bc76743..0dfb1317b 100644
--- a/src/mol-geo/representation/structure/visual/util/common.ts
+++ b/src/mol-geo/representation/structure/visual/util/common.ts
@@ -25,7 +25,8 @@ import { fillSerial } from 'mol-util/array';
import { TransformData, createIdentityTransform, createTransforms } from '../../../../util/transform-data';
function getGranularity(locationIt: LocationIterator, granularity: ColorType | SizeType) {
- // Always use 'group' kind for 'complex' location iterators, i.e. an instance may include multiple units
+ // Always use 'group' granularity for 'complex' location iterators,
+ // i.e. for which an instance may include multiple units
return granularity === 'instance' && locationIt.isComplex ? 'group' : granularity
}
--
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