diff --git a/src/mol-canvas3d/camera.ts b/src/mol-canvas3d/camera.ts
index 38d77bef246faf01e48f20b8c1e2cce288cb0aec..616c5bf793bb62b095e8fbfff4bcf6ab22253105 100644
--- a/src/mol-canvas3d/camera.ts
+++ b/src/mol-canvas3d/camera.ts
@@ -82,6 +82,13 @@ class Camera implements Object3D {
return ret;
}
+ focus(target: Vec3, radius: number) {
+ const position = Vec3.zero();
+ Vec3.scale(position, this.state.direction, -radius);
+ Vec3.add(position, position, target);
+ this.setState({ target, position });
+ }
+
// lookAt(target: Vec3) {
// cameraLookAt(this.position, this.up, this.direction, target);
// }
diff --git a/src/mol-math/geometry/centroid-helper.ts b/src/mol-math/geometry/centroid-helper.ts
new file mode 100644
index 0000000000000000000000000000000000000000..eaa7001dc4d46fa8ff144aba18c9ddc551b891ec
--- /dev/null
+++ b/src/mol-math/geometry/centroid-helper.ts
@@ -0,0 +1,39 @@
+/**
+ * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import { Vec3 } from 'mol-math/linear-algebra/3d';
+
+export class CentroidHelper {
+ private count = 0;
+
+ center: Vec3 = Vec3.zero();
+ radiusSq = 0;
+
+ reset() {
+ Vec3.set(this.center, 0, 0, 0);
+ this.radiusSq = 0;
+ this.count = 0;
+ }
+
+ includeStep(p: Vec3) {
+ Vec3.add(this.center, this.center, p);
+ this.count++;
+ }
+
+ finishedIncludeStep() {
+ if (this.count === 0) return;
+ Vec3.scale(this.center, this.center, 1 / this.count);
+ }
+
+ radiusStep(p: Vec3) {
+ const d = Vec3.squaredDistance(p, this.center);
+ if (d > this.radiusSq) this.radiusSq = d;
+ }
+
+ constructor() {
+
+ }
+}
\ No newline at end of file
diff --git a/src/mol-model/loci.ts b/src/mol-model/loci.ts
index 054e7ea69fce89b7fe2b90abd44034de2e8a2e4d..6bc2d08de6d013bd7946df8d27fdd6505870fe70 100644
--- a/src/mol-model/loci.ts
+++ b/src/mol-model/loci.ts
@@ -7,6 +7,10 @@
import { StructureElement } from './structure'
import { Link } from './structure/structure/unit/links'
import { Shape } from './shape';
+import { Sphere3D } from 'mol-math/geometry';
+import { CentroidHelper } from 'mol-math/geometry/centroid-helper';
+import { Vec3 } from 'mol-math/linear-algebra';
+import { OrderedSet } from 'mol-data/int';
/** A Loci that includes every loci */
export const EveryLoci = { kind: 'every-loci' as 'every-loci' }
@@ -37,4 +41,62 @@ export function areLociEqual(lociA: Loci, lociB: Loci) {
return false
}
-export type Loci = StructureElement.Loci | Link.Loci | EveryLoci | EmptyLoci | Shape.Loci
\ No newline at end of file
+
+export { Loci }
+
+type Loci = StructureElement.Loci | Link.Loci | EveryLoci | EmptyLoci | Shape.Loci
+
+namespace Loci {
+
+ const sphereHelper = new CentroidHelper(), tempPos = Vec3.zero();
+
+ export function getBoundingSphere(loci: Loci): Sphere3D | undefined {
+ if (loci.kind === 'every-loci' || loci.kind === 'empty-loci') return void 0;
+
+ sphereHelper.reset();
+ if (loci.kind === 'element-loci') {
+ for (const e of loci.elements) {
+ const { indices } = e;
+ const pos = e.unit.conformation.position;
+ const { elements } = e.unit;
+ for (let i = 0, _i = OrderedSet.size(indices); i < _i; i++) {
+ pos(elements[OrderedSet.getAt(indices, i)], tempPos);
+ sphereHelper.includeStep(tempPos);
+ }
+ }
+ sphereHelper.finishedIncludeStep();
+ for (const e of loci.elements) {
+ const { indices } = e;
+ const pos = e.unit.conformation.position;
+ const { elements } = e.unit;
+ for (let i = 0, _i = OrderedSet.size(indices); i < _i; i++) {
+ pos(elements[OrderedSet.getAt(indices, i)], tempPos);
+ sphereHelper.radiusStep(tempPos);
+ }
+ }
+ } else if (loci.kind === 'link-loci') {
+ for (const e of loci.links) {
+ let pos = e.aUnit.conformation.position;
+ pos(e.aUnit.elements[e.aIndex], tempPos);
+ sphereHelper.includeStep(tempPos);
+ pos = e.bUnit.conformation.position;
+ pos(e.bUnit.elements[e.bIndex], tempPos);
+ sphereHelper.includeStep(tempPos);
+ }
+ sphereHelper.finishedIncludeStep();
+ for (const e of loci.links) {
+ let pos = e.aUnit.conformation.position;
+ pos(e.aUnit.elements[e.aIndex], tempPos);
+ sphereHelper.radiusStep(tempPos);
+ pos = e.bUnit.conformation.position;
+ pos(e.bUnit.elements[e.bIndex], tempPos);
+ sphereHelper.radiusStep(tempPos);
+ }
+ } else if (loci.kind === 'group-loci') {
+ // TODO
+ return void 0;
+ }
+
+ return Sphere3D.create(Vec3.clone(sphereHelper.center), Math.sqrt(sphereHelper.radiusSq));
+ }
+}
\ No newline at end of file
diff --git a/src/mol-model/structure/util.ts b/src/mol-model/structure/util.ts
index 04cdc89b23f622081e21736b9a9effe8ece39ea1..ab709c2b7ced014e8c13886bbd56669cfb94f773 100644
--- a/src/mol-model/structure/util.ts
+++ b/src/mol-model/structure/util.ts
@@ -62,20 +62,20 @@ export function residueLabel(model: Model, rI: number) {
return `${label_asym_id.value(cI)} ${label_comp_id.value(rI)} ${label_seq_id.value(rI)}`
}
-const centerPos = Vec3.zero()
-const centerMin = Vec3.zero()
-export function getCenterAndRadius(centroid: Vec3, unit: Unit, indices: ArrayLike<number>) {
- const pos = unit.conformation.position
- const { elements } = unit
- Vec3.set(centroid, 0, 0, 0)
- for (let i = 0, il = indices.length; i < il; ++i) {
- pos(elements[indices[i]], centerPos)
- Vec3.add(centroid, centroid, centerPos)
- Vec3.min(centerMin, centerMin, centerPos)
- }
- Vec3.scale(centroid, centroid, 1/indices.length)
- return Vec3.distance(centerMin, centroid)
-}
+// const centerPos = Vec3.zero()
+// const centerMin = Vec3.zero()
+// export function getCenterAndRadius(centroid: Vec3, unit: Unit, indices: ArrayLike<number>) {
+// const pos = unit.conformation.position
+// const { elements } = unit
+// Vec3.set(centroid, 0, 0, 0)
+// for (let i = 0, il = indices.length; i < il; ++i) {
+// pos(elements[indices[i]], centerPos)
+// Vec3.add(centroid, centroid, centerPos)
+// Vec3.min(centerMin, centerMin, centerPos)
+// }
+// Vec3.scale(centroid, centroid, 1/indices.length)
+// return Vec3.distance(centerMin, centroid)
+// }
const matrixPos = Vec3.zero()
export function getPositionMatrix(unit: Unit, indices: ArrayLike<number>) {
diff --git a/src/mol-plugin/behavior.ts b/src/mol-plugin/behavior.ts
index 307b3f134810838f99ba3490fc31c37ddea1b6d0..0f5238d0f3a8068e45a5755bcc39e9929e6e6968 100644
--- a/src/mol-plugin/behavior.ts
+++ b/src/mol-plugin/behavior.ts
@@ -11,6 +11,7 @@ import * as StaticRepresentation from './behavior/static/representation'
import * as StaticCamera from './behavior/static/camera'
import * as DynamicRepresentation from './behavior/dynamic/representation'
+import * as DynamicCamera from './behavior/dynamic/camera'
export const BuiltInPluginBehaviors = {
State: StaticState,
@@ -19,5 +20,6 @@ export const BuiltInPluginBehaviors = {
}
export const PluginBehaviors = {
- Representation: DynamicRepresentation
+ Representation: DynamicRepresentation,
+ Camera: DynamicCamera,
}
\ No newline at end of file
diff --git a/src/mol-plugin/behavior/behavior.ts b/src/mol-plugin/behavior/behavior.ts
index f97fedad1137c055836ffd61ad48c26a4ef760ad..39a00f7baec767151e2c421b255b2635964e5b1c 100644
--- a/src/mol-plugin/behavior/behavior.ts
+++ b/src/mol-plugin/behavior/behavior.ts
@@ -11,6 +11,7 @@ import { PluginContext } from 'mol-plugin/context';
import { PluginCommand } from '../command';
import { Observable } from 'rxjs';
import { ParamDefinition } from 'mol-util/param-definition';
+import { shallowEqual } from 'mol-util';
export { PluginBehavior }
@@ -26,7 +27,7 @@ namespace PluginBehavior {
export class Root extends PluginStateObject.Create({ name: 'Root', typeClass: 'Root' }) { }
export class Behavior extends PluginStateObject.CreateBehavior<PluginBehavior>({ name: 'Behavior' }) { }
- export interface Ctor<P = undefined> { new(ctx: PluginContext, params?: P): PluginBehavior<P> }
+ export interface Ctor<P = undefined> { new(ctx: PluginContext, params: P): PluginBehavior<P> }
export interface CreateParams<P> {
name: string,
@@ -63,7 +64,7 @@ namespace PluginBehavior {
}
export function simpleCommandHandler<T>(cmd: PluginCommand<T>, action: (data: T, ctx: PluginContext) => void | Promise<void>) {
- return class implements PluginBehavior<undefined> {
+ return class implements PluginBehavior<{}> {
private sub: PluginCommand.Subscription | undefined = void 0;
register(): void {
this.sub = cmd.subscribe(this.ctx, data => action(data, this.ctx));
@@ -76,7 +77,7 @@ namespace PluginBehavior {
}
}
- export abstract class Handler implements PluginBehavior<undefined> {
+ export abstract class Handler<P = { }> implements PluginBehavior<P> {
private subs: PluginCommand.Subscription[] = [];
protected subscribeCommand<T>(cmd: PluginCommand<T>, action: PluginCommand.Action<T>) {
this.subs.push(cmd.subscribe(this.ctx, action));
@@ -92,8 +93,12 @@ namespace PluginBehavior {
for (const s of this.subs) s.unsubscribe();
this.subs = [];
}
- constructor(protected ctx: PluginContext) {
-
+ update(params: P): boolean {
+ if (shallowEqual(params, this.params)) return false;
+ this.params = params;
+ return true;
+ }
+ constructor(protected ctx: PluginContext, protected params: P) {
}
}
}
\ No newline at end of file
diff --git a/src/mol-plugin/behavior/dynamic/camera.ts b/src/mol-plugin/behavior/dynamic/camera.ts
new file mode 100644
index 0000000000000000000000000000000000000000..4431eec954a3fcc90d73705940c338339fbe2e23
--- /dev/null
+++ b/src/mol-plugin/behavior/dynamic/camera.ts
@@ -0,0 +1,28 @@
+/**
+ * Copyright (c) 2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author David Sehnal <david.sehnal@gmail.com>
+ */
+
+import { Loci } from 'mol-model/loci';
+import { ParamDefinition } from 'mol-util/param-definition';
+import { PluginBehavior } from '../behavior';
+
+export const FocusLociOnSelect = PluginBehavior.create<{ minRadius: number, extraRadius: number }>({
+ name: 'focus-loci-on-select',
+ ctor: class extends PluginBehavior.Handler<{ minRadius: number, extraRadius: number }> {
+ register(): void {
+ this.subscribeObservable(this.ctx.behaviors.canvas.selectLoci, current => {
+ if (!this.ctx.canvas3d) return;
+ const sphere = Loci.getBoundingSphere(current.loci);
+ if (!sphere) return;
+ this.ctx.canvas3d.camera.focus(sphere.center, Math.max(sphere.radius + this.params.extraRadius, this.params.minRadius));
+ });
+ }
+ },
+ params: () => ({
+ minRadius: ParamDefinition.Numeric(10, { min: 1, max: 50, step: 1 }),
+ extraRadius: ParamDefinition.Numeric(4, { min: 1, max: 50, step: 1 }, { description: 'Value added to the boundning sphere radius of the Loci.' })
+ }),
+ display: { name: 'Focus Loci on Select', group: 'Camera' }
+});
\ No newline at end of file
diff --git a/src/mol-plugin/behavior/dynamic/representation.ts b/src/mol-plugin/behavior/dynamic/representation.ts
index 77f7f6d946bbca42695e5b7eea3ee2875d3f9f18..e6b5116048879d7ebc6db458f893ba9addeb4c65 100644
--- a/src/mol-plugin/behavior/dynamic/representation.ts
+++ b/src/mol-plugin/behavior/dynamic/representation.ts
@@ -34,9 +34,18 @@ export const SelectLoci = PluginBehavior.create({
name: 'representation-select-loci',
ctor: class extends PluginBehavior.Handler {
register(): void {
- this.subscribeObservable(this.ctx.behaviors.canvas.selectLoci, ({ loci }) => {
+ let prevLoci: Loci = EmptyLoci, prevRepr: any = void 0;
+ this.subscribeObservable(this.ctx.behaviors.canvas.selectLoci, current => {
if (!this.ctx.canvas3d) return;
- this.ctx.canvas3d.mark(loci, MarkerAction.Toggle);
+ if (current.repr !== prevRepr || !areLociEqual(current.loci, prevLoci)) {
+ this.ctx.canvas3d.mark(prevLoci, MarkerAction.Deselect);
+ this.ctx.canvas3d.mark(current.loci, MarkerAction.Select);
+ prevLoci = current.loci;
+ prevRepr = current.repr;
+ } else {
+ this.ctx.canvas3d.mark(current.loci, MarkerAction.Toggle);
+ }
+ // this.ctx.canvas3d.mark(loci, MarkerAction.Toggle);
});
}
},
diff --git a/src/mol-plugin/index.ts b/src/mol-plugin/index.ts
index f21c16e9fb9b1992666c738c6e92d8e10e1522cc..29471e0c80abb6bb4ce1da3ee9a22b5c15d48d94 100644
--- a/src/mol-plugin/index.ts
+++ b/src/mol-plugin/index.ts
@@ -33,7 +33,8 @@ const DefaultSpec: PluginSpec = {
behaviors: [
PluginSpec.Behavior(PluginBehaviors.Representation.HighlightLoci),
PluginSpec.Behavior(PluginBehaviors.Representation.SelectLoci),
- PluginSpec.Behavior(PluginBehaviors.Representation.DefaultLociLabelProvider)
+ PluginSpec.Behavior(PluginBehaviors.Representation.DefaultLociLabelProvider),
+ PluginSpec.Behavior(PluginBehaviors.Camera.FocusLociOnSelect, { minRadius: 20, extraRadius: 4 })
]
}