diff --git a/src/mol-plugin/behavior/dynamic/animation.ts b/src/mol-plugin/behavior/dynamic/animation.ts
index e4b27ba0d9d6c36900dfc29d02ad109e2ccf1667..f180f69f92c4fe65816b555a018d96c970d36e7a 100644
--- a/src/mol-plugin/behavior/dynamic/animation.ts
+++ b/src/mol-plugin/behavior/dynamic/animation.ts
@@ -12,6 +12,8 @@ import { Mat4, Vec3 } from 'mol-math/linear-algebra';
import { PluginStateObject as SO, PluginStateObject } from '../../state/objects';
import { StateSelection } from 'mol-state/state/selection';
import { StateObjectCell, State } from 'mol-state';
+import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
+import { UUID } from 'mol-util';
const StructureAnimationParams = {
rotate: PD.Boolean(false),
@@ -21,25 +23,6 @@ const StructureAnimationParams = {
}
type StructureAnimationProps = PD.Values<typeof StructureAnimationParams>
-function getStructure(root: StateObjectCell, state: State) {
- const parent = StateSelection.findAncestorOfType(state.tree, state.cells, root.transform.ref, [PluginStateObject.Molecule.Structure])
- return parent && parent.obj ? parent.obj as PluginStateObject.Molecule.Structure : undefined
-}
-
-function getRootStructure(root: StateObjectCell, state: State) {
- let parent: StateObjectCell | undefined
- while (true) {
- const _parent = StateSelection.findAncestorOfType(state.tree, state.cells, root.transform.ref, [PluginStateObject.Molecule.Structure])
- if (_parent) {
- parent = _parent
- root = _parent
- } else {
- break
- }
- }
- return parent && parent.obj ? parent.obj as PluginStateObject.Molecule.Structure : undefined
-}
-
/**
* TODO
* - animation class is just for testing purposes, needs better API
@@ -55,36 +38,62 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
private animMat = Mat4.identity()
private transVec = Vec3.zero()
private rotVec = Vec3.create(0, 1, 0)
+ private centerVec = Vec3.zero()
private rotateAnimHandle = -1
private explodeAnimHandle = -1
+ private updatedUnitTransforms = new Set<SO.Molecule.Structure>()
+ private structureUnitTransforms = new Map<UUID, StructureUnitTransforms>()
+
constructor(protected ctx: PluginContext, protected params: StructureAnimationProps) {
super(ctx, params)
this.update(params)
}
+ private getUnitTransforms(structure: SO.Molecule.Structure) {
+ let unitTransforms = this.structureUnitTransforms.get(structure.id)
+ if (!unitTransforms) {
+ unitTransforms = new StructureUnitTransforms(structure.data)
+ this.structureUnitTransforms.set(structure.id, unitTransforms)
+ }
+ return unitTransforms
+ }
+
rotate(rad: number) {
+ this.updatedUnitTransforms.clear()
const state = this.ctx.state.dataState
- const reprs = state.select(q => q.rootsOfType(PluginStateObject.Molecule.Representation3D));
+ const reprs = state.select(q => q.rootsOfType(PluginStateObject.Molecule.Representation3D))
Mat4.rotate(this.rotMat, this.tmpMat, rad, this.rotVec)
for (const r of reprs) {
if (!SO.isRepresentation3D(r.obj)) return
const structure = getRootStructure(r, state)
- if (!structure) continue
+ if (!structure || !SO.Molecule.Structure.is(structure.obj)) continue
+
+ const unitTransforms = this.getUnitTransforms(structure.obj)
- Vec3.negate(this.transVec, Vec3.copy(this.transVec, structure.data.boundary.sphere.center))
- Mat4.fromTranslation(this.transMat, this.transVec)
- Mat4.mul(this.animMat, this.rotMat, this.transMat)
+ if (!this.updatedUnitTransforms.has(structure.obj)) {
+ for (let i = 0, il = structure.obj.data.units.length; i < il; ++i) {
+ const u = structure.obj.data.units[i]
+ Vec3.transformMat4(this.centerVec, u.lookup3d.boundary.sphere.center, u.conformation.operator.matrix)
- Vec3.copy(this.transVec, structure.data.boundary.sphere.center)
- Mat4.fromTranslation(this.transMat, this.transVec)
- Mat4.mul(this.animMat, this.transMat, this.animMat)
+ Vec3.negate(this.transVec, Vec3.copy(this.transVec, this.centerVec))
+ Mat4.fromTranslation(this.transMat, this.transVec)
+ Mat4.mul(this.animMat, this.rotMat, this.transMat)
- r.obj.data.setState({ transform: this.animMat })
+ Vec3.copy(this.transVec, this.centerVec)
+ Mat4.fromTranslation(this.transMat, this.transVec)
+ Mat4.mul(this.animMat, this.transMat, this.animMat)
+
+ unitTransforms.setTransform(this.animMat, u)
+ }
+ this.updatedUnitTransforms.add(structure.obj)
+ }
+
+ r.obj.data.setState({ unitTransforms })
this.ctx.canvas3d.add(r.obj.data)
- this.ctx.canvas3d.requestDraw(true)
}
+ this.ctx.canvas3d.requestDraw(true)
}
animateRotate(play: boolean) {
@@ -99,30 +108,42 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
}
}
- explode(d: number) {
+ explode(p: number) {
+ this.updatedUnitTransforms.clear()
const state = this.ctx.state.dataState
const reprs = state.select(q => q.rootsOfType(PluginStateObject.Molecule.Representation3D));
for (const r of reprs) {
if (!SO.isRepresentation3D(r.obj)) return
- const structure = getStructure(r, state)
- if (!structure) continue
- const rootStructure = getRootStructure(r, state)
- if (!rootStructure) continue
+ const structure = getRootStructure(r, state)
+ if (!structure || !SO.Molecule.Structure.is(structure.obj)) continue
+
+ const unitTransforms = this.getUnitTransforms(structure.obj)
+ const d = structure.obj.data.boundary.sphere.radius * (p / 100)
+
+ if (!this.updatedUnitTransforms.has(structure.obj)) {
+ for (let i = 0, il = structure.obj.data.units.length; i < il; ++i) {
+ const u = structure.obj.data.units[i]
+ Vec3.transformMat4(this.centerVec, u.lookup3d.boundary.sphere.center, u.conformation.operator.matrix)
- Vec3.sub(this.transVec, structure.data.boundary.sphere.center, rootStructure.data.boundary.sphere.center)
- Vec3.setMagnitude(this.transVec, this.transVec, d)
- Mat4.fromTranslation(this.animMat, this.transVec)
+ Vec3.sub(this.transVec, this.centerVec, structure.obj.data.boundary.sphere.center)
+ Vec3.setMagnitude(this.transVec, this.transVec, d)
+ Mat4.fromTranslation(this.animMat, this.transVec)
- r.obj.data.setState({ transform: this.animMat })
+ unitTransforms.setTransform(this.animMat, u)
+ }
+ this.updatedUnitTransforms.add(structure.obj)
+ }
+
+ r.obj.data.setState({ unitTransforms })
this.ctx.canvas3d.add(r.obj.data)
- this.ctx.canvas3d.requestDraw(true)
}
+ this.ctx.canvas3d.requestDraw(true)
}
animateExplode(play: boolean) {
if (play) {
const animateExplode = (t: number) => {
- this.explode((Math.sin(t * 0.001) + 1) * 5)
+ this.explode((Math.sin(t * 0.001) + 1) * 50)
this.explodeAnimHandle = requestAnimationFrame(animateExplode)
}
this.explodeAnimHandle = requestAnimationFrame(animateExplode)
@@ -160,4 +181,21 @@ export const StructureAnimation = PluginBehavior.create<StructureAnimationProps>
}
},
params: () => StructureAnimationParams
-});
\ No newline at end of file
+});
+
+//
+
+function getRootStructure(root: StateObjectCell, state: State) {
+ let parent: StateObjectCell | undefined
+ while (true) {
+ const _parent = StateSelection.findAncestorOfType(state.tree, state.cells, root.transform.ref, [PluginStateObject.Molecule.Structure])
+ if (_parent) {
+ parent = _parent
+ root = _parent
+ } else {
+ break
+ }
+ }
+ return parent ? parent :
+ SO.Molecule.Structure.is(root.obj) ? root : undefined
+}
\ No newline at end of file