From baafa384741e3b11d9dac9f43cda627bda110cd9 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Tue, 4 Sep 2018 10:47:39 -0700
Subject: [PATCH] add isComplex flag to location-iterator to handle multiple
units per instance
---
src/apps/canvas/structure-view.ts | 18 +++++++++---------
.../representation/structure/complex-visual.ts | 11 ++++++-----
.../representation/structure/units-visual.ts | 1 -
.../visual/carbohydrate-link-cylinder.ts | 2 +-
.../visual/carbohydrate-symbol-mesh.ts | 2 +-
.../visual/cross-link-restraint-cylinder.ts | 2 +-
.../structure/visual/util/common.ts | 4 +++-
.../structure/visual/util/link.ts | 2 +-
src/mol-geo/util/location-iterator.ts | 5 ++++-
9 files changed, 26 insertions(+), 21 deletions(-)
diff --git a/src/apps/canvas/structure-view.ts b/src/apps/canvas/structure-view.ts
index 36865663a..4490697d5 100644
--- a/src/apps/canvas/structure-view.ts
+++ b/src/apps/canvas/structure-view.ts
@@ -156,24 +156,24 @@ export async function StructureView(viewer: Viewer, models: ReadonlyArray<Model>
async function createStructureRepr() {
if (structure) {
console.log('createStructureRepr')
- // await cartoon.createOrUpdate({
- // colorTheme: { name: 'unit-index' },
- // sizeTheme: { name: 'uniform', value: 0.2 },
- // useFog: false // TODO fog not working properly
- // }, structure).run()
-
- await point.createOrUpdate({
+ await cartoon.createOrUpdate({
colorTheme: { name: 'unit-index' },
sizeTheme: { name: 'uniform', value: 0.2 },
useFog: false // TODO fog not working properly
}, structure).run()
- // await ballAndStick.createOrUpdate({
+ // await point.createOrUpdate({
// colorTheme: { name: 'unit-index' },
- // sizeTheme: { name: 'uniform', value: 0.1 },
+ // sizeTheme: { name: 'uniform', value: 0.2 },
// useFog: false // TODO fog not working properly
// }, structure).run()
+ await ballAndStick.createOrUpdate({
+ colorTheme: { name: 'unit-index' },
+ sizeTheme: { name: 'uniform', value: 0.1 },
+ useFog: false // TODO fog not working properly
+ }, structure).run()
+
// await carbohydrate.createOrUpdate({
// colorTheme: { name: 'carbohydrate-symbol' },
// sizeTheme: { name: 'uniform', value: 1, factor: 1 },
diff --git a/src/mol-geo/representation/structure/complex-visual.ts b/src/mol-geo/representation/structure/complex-visual.ts
index 542d169e7..343a6082d 100644
--- a/src/mol-geo/representation/structure/complex-visual.ts
+++ b/src/mol-geo/representation/structure/complex-visual.ts
@@ -44,17 +44,18 @@ export function ComplexMeshVisual<P extends ComplexMeshProps>(builder: ComplexMe
let mesh: Mesh
let currentStructure: Structure
let locationIt: LocationIterator
- let conformationHashCode: number
+ let conformationHash: number
async function create(ctx: RuntimeContext, structure: Structure, props: Partial<P> = {}) {
currentProps = Object.assign({}, defaultProps, props)
currentStructure = structure
- conformationHashCode = Structure.conformationHash(currentStructure)
+ conformationHash = Structure.conformationHash(currentStructure)
mesh = await createMesh(ctx, currentStructure, currentProps, mesh)
locationIt = createLocationIterator(structure)
renderObject = await createComplexMeshRenderObject(ctx, structure, mesh, locationIt, currentProps)
+ console.log(renderObject.values)
}
async function update(ctx: RuntimeContext, props: Partial<P>) {
@@ -66,9 +67,9 @@ export function ComplexMeshVisual<P extends ComplexMeshProps>(builder: ComplexMe
MeshUpdateState.reset(updateState)
setUpdateState(updateState, newProps, currentProps)
- const newConformationHashCode = Structure.conformationHash(currentStructure)
- if (newConformationHashCode !== conformationHashCode) {
- conformationHashCode = newConformationHashCode
+ const newConformationHash = Structure.conformationHash(currentStructure)
+ if (newConformationHash !== conformationHash) {
+ conformationHash = newConformationHash
updateState.createMesh = true
}
diff --git a/src/mol-geo/representation/structure/units-visual.ts b/src/mol-geo/representation/structure/units-visual.ts
index 86ec2ac9d..40914b11b 100644
--- a/src/mol-geo/representation/structure/units-visual.ts
+++ b/src/mol-geo/representation/structure/units-visual.ts
@@ -61,7 +61,6 @@ export function UnitsMeshVisual<P extends UnitsMeshProps>(builder: UnitsMeshVisu
// TODO create empty location iterator when not in unitKinds
locationIt = createLocationIterator(group)
renderObject = await createUnitsMeshRenderObject(ctx, group, mesh, locationIt, currentProps)
- console.log(renderObject.values.uInstanceCount.ref.value, renderObject.values.uGroupCount.ref.value)
}
async function update(ctx: RuntimeContext, props: Partial<P> = {}) {
diff --git a/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts b/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts
index 6526391f0..dca53ec6f 100644
--- a/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts
+++ b/src/mol-geo/representation/structure/visual/carbohydrate-link-cylinder.ts
@@ -100,7 +100,7 @@ function CarbohydrateLinkIterator(structure: Structure): LocationIterator {
location.bIndex = indexB as StructureElement.UnitIndex
return location
}
- return LocationIterator(groupCount, instanceCount, getLocation)
+ return LocationIterator(groupCount, instanceCount, getLocation, true)
}
function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) {
diff --git a/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts b/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts
index 6546a2b2a..50b85fb4d 100644
--- a/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts
+++ b/src/mol-geo/representation/structure/visual/carbohydrate-symbol-mesh.ts
@@ -172,7 +172,7 @@ function CarbohydrateElementIterator(structure: Structure): LocationIterator {
function isSecondary (elementIndex: number, instanceIndex: number) {
return (elementIndex % 2) === 1
}
- return LocationIterator(groupCount, instanceCount, getLocation, isSecondary)
+ return LocationIterator(groupCount, instanceCount, getLocation, true, isSecondary)
}
function getCarbohydrateLoci(pickingId: PickingId, structure: Structure, id: number) {
diff --git a/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts b/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts
index 6bd885217..735499fd2 100644
--- a/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts
+++ b/src/mol-geo/representation/structure/visual/cross-link-restraint-cylinder.ts
@@ -84,7 +84,7 @@ function CrossLinkRestraintIterator(structure: Structure): LocationIterator {
location.bIndex = pair.indexB
return location
}
- return LocationIterator(groupCount, instanceCount, getLocation)
+ return LocationIterator(groupCount, instanceCount, getLocation, true)
}
function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) {
diff --git a/src/mol-geo/representation/structure/visual/util/common.ts b/src/mol-geo/representation/structure/visual/util/common.ts
index de91023bf..6e5a74848 100644
--- a/src/mol-geo/representation/structure/visual/util/common.ts
+++ b/src/mol-geo/representation/structure/visual/util/common.ts
@@ -26,7 +26,9 @@ import { TransformData, createIdentityTransform, createTransforms } from '../../
export function createColors(ctx: RuntimeContext, locationIt: LocationIterator, props: ColorThemeProps, colorData?: ColorData): Promise<ColorData> {
const colorTheme = ColorTheme(props)
- switch (colorTheme.kind) {
+ // Always use 'group' kind for 'complex' location iterators, i.e. an instance may include multiple units
+ const kind = colorTheme.kind === 'instance' && locationIt.isComplex ? 'group' : colorTheme.kind
+ switch (kind) {
case 'uniform': return createUniformColor(ctx, locationIt, colorTheme.color, colorData)
case 'group': return createGroupColor(ctx, locationIt, colorTheme.color, colorData)
case 'groupInstance': return createGroupInstanceColor(ctx, locationIt, colorTheme.color, colorData)
diff --git a/src/mol-geo/representation/structure/visual/util/link.ts b/src/mol-geo/representation/structure/visual/util/link.ts
index 865e52d99..3978bfc9a 100644
--- a/src/mol-geo/representation/structure/visual/util/link.ts
+++ b/src/mol-geo/representation/structure/visual/util/link.ts
@@ -146,6 +146,6 @@ export namespace LinkIterator {
location.bIndex = bond.indexB as StructureElement.UnitIndex
return location
}
- return LocationIterator(groupCount, instanceCount, getLocation)
+ return LocationIterator(groupCount, instanceCount, getLocation, true)
}
}
\ No newline at end of file
diff --git a/src/mol-geo/util/location-iterator.ts b/src/mol-geo/util/location-iterator.ts
index 435d0c45c..16c351709 100644
--- a/src/mol-geo/util/location-iterator.ts
+++ b/src/mol-geo/util/location-iterator.ts
@@ -28,6 +28,8 @@ export interface LocationIterator extends Iterator<LocationValue> {
readonly isNextNewInstance: boolean
readonly groupCount: number
readonly instanceCount: number
+ /** If true, may have multiple units per instance; if false one unit per instance */
+ readonly isComplex: boolean
move(): LocationValue
reset(): void
skipInstance(): void
@@ -36,7 +38,7 @@ export interface LocationIterator extends Iterator<LocationValue> {
type LocationGetter = (groupIndex: number, instanceIndex: number) => Location
type IsSecondaryGetter = (groupIndex: number, instanceIndex: number) => boolean
-export function LocationIterator(groupCount: number, instanceCount: number, getLocation: LocationGetter, isSecondary: IsSecondaryGetter = () => false): LocationIterator {
+export function LocationIterator(groupCount: number, instanceCount: number, getLocation: LocationGetter, isComplex = false, isSecondary: IsSecondaryGetter = () => false): LocationIterator {
const value: LocationValue = {
location: NullLocation as Location,
index: 0,
@@ -55,6 +57,7 @@ export function LocationIterator(groupCount: number, instanceCount: number, getL
get isNextNewInstance () { return isNextNewInstance },
get groupCount () { return groupCount },
get instanceCount () { return instanceCount },
+ isComplex,
move() {
if (hasNext) {
value.groupIndex = groupIndex
--
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