diff --git a/CHANGELOG.md b/CHANGELOG.md
index dc895749e95c82721697b18d91399338e7059f77..8818db11f999bdd93911b2242a3d9d0bfcee4792 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -6,6 +6,7 @@ Note that since we don't clearly distinguish between a public and private interf
## [Unreleased]
+- Fix ``TransformData`` issues [#133](https://github.com/molstar/molstar/issues/133)
## [v2.2.1] - 2021-08-02
diff --git a/src/mol-geo/geometry/transform-data.ts b/src/mol-geo/geometry/transform-data.ts
index 65f1ccc1e5f04080be3fca11e269f80a5e442dde..743d359b2a03de9fc158f84c9bc5beb4d52e8cf4 100644
--- a/src/mol-geo/geometry/transform-data.ts
+++ b/src/mol-geo/geometry/transform-data.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2018-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
@@ -43,12 +43,13 @@ export function createTransform(transformArray: Float32Array, instanceCount: num
if (transformData) {
ValueCell.update(transformData.matrix, transformData.matrix.ref.value);
- ValueCell.update(transformData.transform, transformArray);
+ const transform = transformData.transform.ref.value.length >= instanceCount * 16 ? transformData.transform.ref.value : new Float32Array(instanceCount * 16);
+ transform.set(transformArray);
+ ValueCell.update(transformData.transform, transform);
ValueCell.updateIfChanged(transformData.uInstanceCount, instanceCount);
ValueCell.updateIfChanged(transformData.instanceCount, instanceCount);
const aTransform = transformData.aTransform.ref.value.length >= instanceCount * 16 ? transformData.aTransform.ref.value : new Float32Array(instanceCount * 16);
- aTransform.set(transformArray);
ValueCell.update(transformData.aTransform, aTransform);
// Note that this sets `extraTransform` to identity transforms
@@ -64,9 +65,9 @@ export function createTransform(transformArray: Float32Array, instanceCount: num
return transformData;
} else {
return {
- aTransform: ValueCell.create(new Float32Array(transformArray)),
+ aTransform: ValueCell.create(new Float32Array(instanceCount * 16)),
matrix: ValueCell.create(Mat4.identity()),
- transform: ValueCell.create(transformArray),
+ transform: ValueCell.create(new Float32Array(transformArray)),
extraTransform: ValueCell.create(fillIdentityTransform(new Float32Array(instanceCount * 16), instanceCount)),
uInstanceCount: ValueCell.create(instanceCount),
instanceCount: ValueCell.create(instanceCount),
diff --git a/src/mol-plugin-state/animation/helpers.ts b/src/mol-plugin-state/animation/helpers.ts
index b3e554b1b26d8483452fbfa46befaa874c3d0ae9..3ba368a7f2ff9dc2ccd21b91009534dbc847de21 100644
--- a/src/mol-plugin-state/animation/helpers.ts
+++ b/src/mol-plugin-state/animation/helpers.ts
@@ -6,12 +6,12 @@
*/
import { ParamDefinition as PD } from '../../mol-util/param-definition';
-import { SymmetryOperator } from '../../mol-math/geometry';
+import { Sphere3D, SymmetryOperator } from '../../mol-math/geometry';
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();
+const _unwindMatrix = Mat4();
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];
@@ -20,15 +20,14 @@ export function unwindStructureAssembly(structure: Structure, unitTransforms: St
}
}
-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;
+const _centerVec = Vec3(), _transVec = Vec3(), _transMat = Mat4();
+export function explodeStructure(structure: Structure, unitTransforms: StructureUnitTransforms, t: number, sphere: Sphere3D) {
+ const d = sphere.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.sub(_transVec, _centerVec, sphere.center);
Vec3.setMagnitude(_transVec, _transVec, d);
Mat4.fromTranslation(_transMat, _transVec);
diff --git a/src/mol-plugin-state/transforms/representation.ts b/src/mol-plugin-state/transforms/representation.ts
index d4bb3e506bb40e988733dd96cfa111f1f4feb54e..6c1d37b0fd74453bf47878dca70639d0ddc91756 100644
--- a/src/mol-plugin-state/transforms/representation.ts
+++ b/src/mol-plugin-state/transforms/representation.ts
@@ -236,23 +236,23 @@ const ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
},
apply({ a, params }) {
const structure = a.data.sourceData;
- const unitTransforms = new StructureUnitTransforms(structure.root);
- explodeStructure(structure, unitTransforms, params.t);
+ const unitTransforms = new StructureUnitTransforms(structure);
+ explodeStructure(structure, unitTransforms, params.t, structure.root.boundary.sphere);
return new SO.Molecule.Structure.Representation3DState({
state: { unitTransforms },
- initialState: { unitTransforms: new StructureUnitTransforms(structure.root) },
- info: structure.root,
+ initialState: { unitTransforms: new StructureUnitTransforms(structure) },
+ info: structure,
repr: a.data.repr
}, { label: `Explode T = ${params.t.toFixed(2)}` });
},
update({ a, b, newParams, oldParams }) {
const structure = a.data.sourceData;
- if (b.data.info !== structure.root) return StateTransformer.UpdateResult.Recreate;
+ if (b.data.info !== structure) return StateTransformer.UpdateResult.Recreate;
if (a.data.repr !== b.data.repr) return StateTransformer.UpdateResult.Recreate;
if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
const unitTransforms = b.data.state.unitTransforms!;
- explodeStructure(structure.root, unitTransforms, newParams.t);
+ explodeStructure(structure, unitTransforms, newParams.t, structure.root.boundary.sphere);
b.label = `Explode T = ${newParams.t.toFixed(2)}`;
b.data.repr = a.data.repr;
return StateTransformer.UpdateResult.Updated;
@@ -275,27 +275,27 @@ const SpinStructureRepresentation3D = PluginStateTransform.BuiltIn({
},
apply({ a, params }) {
const structure = a.data.sourceData;
- const unitTransforms = new StructureUnitTransforms(structure.root);
+ const unitTransforms = new StructureUnitTransforms(structure);
const { axis, origin } = getSpinStructureAxisAndOrigin(structure.root, params);
spinStructure(structure, unitTransforms, params.t, axis, origin);
return new SO.Molecule.Structure.Representation3DState({
state: { unitTransforms },
- initialState: { unitTransforms: new StructureUnitTransforms(structure.root) },
- info: structure.root,
+ initialState: { unitTransforms: new StructureUnitTransforms(structure) },
+ info: structure,
repr: a.data.repr
}, { label: `Spin T = ${params.t.toFixed(2)}` });
},
update({ a, b, newParams, oldParams }) {
const structure = a.data.sourceData;
- if (b.data.info !== structure.root) return StateTransformer.UpdateResult.Recreate;
+ if (b.data.info !== structure) return StateTransformer.UpdateResult.Recreate;
if (a.data.repr !== b.data.repr) return StateTransformer.UpdateResult.Recreate;
if (oldParams.t === newParams.t && oldParams.axis === newParams.axis && oldParams.origin === newParams.origin) return StateTransformer.UpdateResult.Unchanged;
const unitTransforms = b.data.state.unitTransforms!;
const { axis, origin } = getSpinStructureAxisAndOrigin(structure.root, newParams);
- spinStructure(structure.root, unitTransforms, newParams.t, axis, origin);
+ spinStructure(structure, unitTransforms, newParams.t, axis, origin);
b.label = `Spin T = ${newParams.t.toFixed(2)}`;
b.data.repr = a.data.repr;
return StateTransformer.UpdateResult.Updated;