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Commit e769bf45 authored by David Sehnal's avatar David Sehnal
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mol-plugin: refactored explore repr state

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src/mol-plugin/behavior/dynamic/representation.ts
+ 10
− 90
View file @ e769bf45
......@@ -6,26 +6,24 @@
*/
import { MarkerAction } from 'mol-geo/geometry/marker-data';
import { Mat4, Vec3 } from 'mol-math/linear-algebra';
import { EmptyLoci, EveryLoci } from 'mol-model/loci';
import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
import { QueryContext, StructureElement, StructureSelection } from 'mol-model/structure';
import { PluginContext } from 'mol-plugin/context';
import { PluginStateObject } from 'mol-plugin/state/objects';
import { StateObjectTracker, StateSelection } from 'mol-state';
import { labelFirst } from 'mol-theme/label';
import { ParamDefinition as PD } from 'mol-util/param-definition';
import { PluginBehavior } from '../behavior';
import { Representation } from 'mol-repr/representation';
import { ButtonsType } from 'mol-util/input/input-observer';
import { StructureElement, StructureSelection, QueryContext } from 'mol-model/structure';
import { ColorNames } from 'mol-util/color/tables';
// import { MolScriptBuilder as MS } from 'mol-script/language/builder';
import Expression from 'mol-script/language/expression';
import { Color } from 'mol-util/color';
import { compile } from 'mol-script/runtime/query/compiler';
import { Overpaint } from 'mol-theme/overpaint';
import { parseMolScript } from 'mol-script/language/parser';
import { compile } from 'mol-script/runtime/query/compiler';
import { transpileMolScript } from 'mol-script/script/mol-script/symbols';
import { StateObjectTracker, StateSelection } from 'mol-state';
import { labelFirst } from 'mol-theme/label';
import { Overpaint } from 'mol-theme/overpaint';
import { Color } from 'mol-util/color';
import { ColorNames } from 'mol-util/color/tables';
import { ButtonsType } from 'mol-util/input/input-observer';
import { ParamDefinition as PD } from 'mol-util/param-definition';
import { PluginBehavior } from '../behavior';
export const HighlightLoci = PluginBehavior.create({
name: 'representation-highlight-loci',
......@@ -128,84 +126,6 @@ export const DefaultLociLabelProvider = PluginBehavior.create({
display: { name: 'Provide Default Loci Label' }
});
export namespace ExplodeRepresentation3D {
export const Params = {
t: PD.Numeric(0, { min: 0, max: 1, step: 0.01 })
}
export type Params = PD.Values<typeof Params>
export class Behavior implements PluginBehavior<Params> {
private currentT = 0;
private repr: StateObjectTracker<PluginStateObject.Molecule.Structure.Representation3D>;
private structure: StateObjectTracker<PluginStateObject.Molecule.Structure>;
private transforms: StructureUnitTransforms;
private updateData() {
const reprUpdated = this.repr.update();
const strUpdated = this.structure.update();
if (strUpdated && this.structure.data) {
this.transforms = new StructureUnitTransforms(this.structure.data);
}
return reprUpdated || strUpdated;
}
register(ref: string): void {
this.repr.setQuery(StateSelection.Generators.byRef(ref).ancestorOfType([PluginStateObject.Molecule.Structure.Representation3D]));
this.structure.setQuery(StateSelection.Generators.byRef(ref).rootOfType([PluginStateObject.Molecule.Structure]));
this.update(this.params);
}
private centerVec = Vec3.zero();
private transVec = Vec3.zero();
private transMat = Mat4.zero();
update(params: Params): boolean | Promise<boolean> {
if (!this.updateData() && params.t === this.currentT) return false;
this.currentT = params.t;
if (!this.structure.data || !this.repr.data) return true;
const structure = this.structure.data;
const boundary = structure.boundary.sphere;
const d = boundary.radius * params.t;
for (let i = 0, _i = structure.units.length; i < _i; i++) {
const u = structure.units[i];
Vec3.transformMat4(this.centerVec, u.lookup3d.boundary.sphere.center, u.conformation.operator.matrix);
Vec3.sub(this.transVec, this.centerVec, boundary.center);
Vec3.setMagnitude(this.transVec, this.transVec, d);
Mat4.fromTranslation(this.transMat, this.transVec)
this.transforms.setTransform(this.transMat, u);
}
// TODO: should be be "auto updated"?
// perhaps have Representation3D.setState(state, autoSync = false)?
// TODO: where to handle unitTransforms composition?
// Manually or inside the representation? "inside" would better compose with future additions.
this.repr.data.repr.setState({ unitTransforms: this.transforms });
this.ctx.canvas3d.add(this.repr.data.repr);
this.ctx.canvas3d.requestDraw(true);
return true;
}
unregister(): void {
this.update({ t: 0 })
this.repr.cell = void 0;
this.structure.cell = void 0;
}
constructor(private ctx: PluginContext, private params: Params) {
this.repr = new StateObjectTracker(ctx.state.dataState);
this.structure = new StateObjectTracker(ctx.state.dataState);
}
}
export class Obj extends PluginStateObject.CreateBehavior<Behavior>({ name: 'Explode Representation3D Behavior' }) { }
}
type ColorMappings = { query: Expression, color: Color }[]
namespace ColorMappings {
export function areEqual(colorMappingsA: ColorMappings, colorMappingsB: ColorMappings) {
......
src/mol-plugin/state/animation/helpers.ts
+ 18
− 2
View file @ e769bf45
......@@ -6,15 +6,31 @@
import { SymmetryOperator } from 'mol-math/geometry';
import { Mat4 } from 'mol-math/linear-algebra';
import { Mat4, Vec3 } from 'mol-math/linear-algebra';
import { Structure } from 'mol-model/structure';
import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
const _unwindMatrix = Mat4.zero();
export function unwindStructureAssebmly(structure: Structure, unitTransforms: StructureUnitTransforms, t: number) {
export function unwindStructureAssembly(structure: Structure, unitTransforms: StructureUnitTransforms, t: number) {
for (let i = 0, _i = structure.units.length; i < _i; i++) {
const u = structure.units[i];
SymmetryOperator.lerpFromIdentity(_unwindMatrix, u.conformation.operator, t);
unitTransforms.setTransform(_unwindMatrix, u);
}
}
const _centerVec = Vec3.zero(), _transVec = Vec3.zero(), _transMat = Mat4.zero();
export function explodeStructure(structure: Structure, unitTransforms: StructureUnitTransforms, t: number) {
const boundary = structure.boundary.sphere;
const d = boundary.radius * t;
for (let i = 0, _i = structure.units.length; i < _i; i++) {
const u = structure.units[i];
Vec3.transformMat4(_centerVec, u.lookup3d.boundary.sphere.center, u.conformation.operator.matrix);
Vec3.sub(_transVec, _centerVec, boundary.center);
Vec3.setMagnitude(_transVec, _transVec, d);
Mat4.fromTranslation(_transMat, _transVec);
unitTransforms.setTransform(_transMat, u);
}
}
\ No newline at end of file
src/mol-plugin/state/transforms/representation.ts
+ 22
− 15
View file @ e769bf45
......@@ -7,7 +7,7 @@
import { Structure } from 'mol-model/structure';
import { VolumeData, VolumeIsoValue } from 'mol-model/volume';
import { ExplodeRepresentation3D, ColorRepresentation3D } from 'mol-plugin/behavior/dynamic/representation';
import { ColorRepresentation3D } from 'mol-plugin/behavior/dynamic/representation';
import { PluginContext } from 'mol-plugin/context';
import { RepresentationProvider } from 'mol-repr/representation';
import { BuiltInStructureRepresentationsName } from 'mol-repr/structure/registry';
......@@ -26,7 +26,7 @@ import { ColorNames } from 'mol-util/color/tables';
import { getLabelRepresentation } from 'mol-plugin/util/structure-labels';
import { ShapeRepresentation } from 'mol-repr/shape/representation';
import { StructureUnitTransforms } from 'mol-model/structure/structure/util/unit-transforms';
import { unwindStructureAssebmly } from '../animation/helpers';
import { unwindStructureAssembly, explodeStructure } from '../animation/helpers';
export { StructureRepresentation3D }
export { StructureRepresentation3DHelpers }
......@@ -243,10 +243,10 @@ const UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
canAutoUpdate() {
return true;
},
apply({ a, params }, plugin: PluginContext) {
apply({ a, params }) {
const structure = a.data.source.data;
const unitTransforms = new StructureUnitTransforms(structure);
unwindStructureAssebmly(structure, unitTransforms, params.t);
unwindStructureAssembly(structure, unitTransforms, params.t);
return new SO.Molecule.Structure.Representation3DState({ state: { unitTransforms }, info: structure, source: a }, { label: `Unwind T = ${params.t.toFixed(2)}` });
},
update({ a, b, newParams, oldParams }) {
......@@ -254,7 +254,7 @@ const UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
const unitTransforms = b.data.state.unitTransforms!;
unwindStructureAssebmly(structure, unitTransforms, newParams.t);
unwindStructureAssembly(structure, unitTransforms, newParams.t);
b.label = `Unwind T = ${newParams.t.toFixed(2)}`;
b.data.source = a;
return StateTransformer.UpdateResult.Updated;
......@@ -267,21 +267,28 @@ const ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
name: 'explode-structure-representation-3d',
display: 'Explode 3D Representation',
from: SO.Molecule.Structure.Representation3D,
to: ExplodeRepresentation3D.Obj,
params: ExplodeRepresentation3D.Params
to: SO.Molecule.Structure.Representation3DState,
params: { t: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }) }
})({
canAutoUpdate() {
return true;
},
apply({ params }, plugin: PluginContext) {
return new ExplodeRepresentation3D.Obj(new ExplodeRepresentation3D.Behavior(plugin, params), { label: `Explosion T = ${params.t.toFixed(2)}` });
apply({ a, params, spine }) {
const srcStructure = spine.getRootOfType(SO.Molecule.Structure)!.data;
const unitTransforms = new StructureUnitTransforms(srcStructure);
explodeStructure(srcStructure, unitTransforms, params.t);
return new SO.Molecule.Structure.Representation3DState({ state: { unitTransforms }, info: srcStructure, source: a }, { label: `Explode T = ${params.t.toFixed(2)}` });
},
update({ b, newParams }) {
return Task.create('Update Explosion', async () => {
const updated = await b.data.update(newParams);
b.label = `Explosion T = ${newParams.t.toFixed(2)}`;
return updated ? StateTransformer.UpdateResult.Updated : StateTransformer.UpdateResult.Unchanged;
});
update({ a, b, newParams, oldParams, spine }) {
const srcStructure = spine.getRootOfType(SO.Molecule.Structure)!.data;
const structure = b.data.info as Structure;
if (srcStructure !== structure) return StateTransformer.UpdateResult.Recreate;
if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
const unitTransforms = b.data.state.unitTransforms!;
explodeStructure(structure, unitTransforms, newParams.t);
b.label = `Explode T = ${newParams.t.toFixed(2)}`;
b.data.source = a;
return StateTransformer.UpdateResult.Updated;
}
});
......
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