diff --git a/CHANGELOG.md b/CHANGELOG.md
index 952ba6982bfe01225e56a82b54f8f2affea0bdff..4192e927365e6fae72efbad79f1f516a37adb13b 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -7,6 +7,7 @@ Note that since we don't clearly distinguish between a public and private interf
## [Unreleased]
- [Fix] Clone ``Canvas3DParams`` when creating a ``Canvas3D`` instance to prevent shared state between multiple instances.
+- [Add] New ``parentDisplay`` param for interactions representation.
## [v3.16.0] - 2022-08-25
diff --git a/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts b/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts
index d07ee17b564f5f7cacac9fc97312946db51eecdf..5bd9d657428fd116cf57d395907704cbe733ba20 100644
--- a/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts
+++ b/src/mol-model-props/computed/representations/interactions-inter-unit-cylinder.ts
@@ -22,6 +22,8 @@ import { LocationIterator } from '../../../mol-geo/util/location-iterator';
import { InteractionFlag } from '../interactions/common';
import { Unit } from '../../../mol-model/structure/structure';
import { Sphere3D } from '../../../mol-math/geometry';
+import { assertUnreachable } from '../../../mol-util/type-helpers';
+import { InteractionsSharedParams } from './shared';
function createInterUnitInteractionCylinderMesh(ctx: VisualContext, structure: Structure, theme: Theme, props: PD.Values<InteractionsInterUnitParams>, mesh?: Mesh) {
if (!structure.hasAtomic) return Mesh.createEmpty(mesh);
@@ -31,7 +33,7 @@ function createInterUnitInteractionCylinderMesh(ctx: VisualContext, structure: S
const { contacts, unitsFeatures } = interactions;
const { edgeCount, edges } = contacts;
- const { sizeFactor } = props;
+ const { sizeFactor, parentDisplay } = props;
if (!edgeCount) return Mesh.createEmpty(mesh);
@@ -70,14 +72,48 @@ function createInterUnitInteractionCylinderMesh(ctx: VisualContext, structure: S
if (child) {
const b = edges[edgeIndex];
- const childUnitA = child.unitMap.get(b.unitA);
- if (!childUnitA) return true;
-
- const unitA = structure.unitMap.get(b.unitA);
- const { offsets, members } = unitsFeatures.get(b.unitA);
- for (let i = offsets[b.indexA], il = offsets[b.indexA + 1]; i < il; ++i) {
- const eA = unitA.elements[members[i]];
- if (!SortedArray.has(childUnitA.elements, eA)) return true;
+
+ if (parentDisplay === 'stub') {
+ const childUnitA = child.unitMap.get(b.unitA);
+ if (!childUnitA) return true;
+
+ const unitA = structure.unitMap.get(b.unitA);
+ const { offsets, members } = unitsFeatures.get(b.unitA);
+ for (let i = offsets[b.indexA], il = offsets[b.indexA + 1]; i < il; ++i) {
+ const eA = unitA.elements[members[i]];
+ if (!SortedArray.has(childUnitA.elements, eA)) return true;
+ }
+ } else if (parentDisplay === 'full' || parentDisplay === 'between') {
+ let flagA = false;
+ let flagB = false;
+
+ const childUnitA = child.unitMap.get(b.unitA);
+ if (!childUnitA) {
+ flagA = true;
+ } else {
+ const unitA = structure.unitMap.get(b.unitA);
+ const { offsets, members } = unitsFeatures.get(b.unitA);
+ for (let i = offsets[b.indexA], il = offsets[b.indexA + 1]; i < il; ++i) {
+ const eA = unitA.elements[members[i]];
+ if (!SortedArray.has(childUnitA.elements, eA)) flagA = true;
+ }
+ }
+
+ const childUnitB = child.unitMap.get(b.unitB);
+ if (!childUnitB) {
+ flagB = true;
+ } else {
+ const unitB = structure.unitMap.get(b.unitB);
+ const { offsets, members } = unitsFeatures.get(b.unitB);
+ for (let i = offsets[b.indexB], il = offsets[b.indexB + 1]; i < il; ++i) {
+ const eB = unitB.elements[members[i]];
+ if (!SortedArray.has(childUnitB.elements, eB)) flagB = true;
+ }
+ }
+
+ return parentDisplay === 'full' ? flagA && flagB : flagA !== flagB;
+ } else {
+ assertUnreachable(parentDisplay);
}
}
@@ -101,10 +137,7 @@ function createInterUnitInteractionCylinderMesh(ctx: VisualContext, structure: S
export const InteractionsInterUnitParams = {
...ComplexMeshParams,
...LinkCylinderParams,
- sizeFactor: PD.Numeric(0.3, { min: 0, max: 10, step: 0.01 }),
- dashCount: PD.Numeric(6, { min: 2, max: 10, step: 2 }),
- dashScale: PD.Numeric(0.4, { min: 0, max: 2, step: 0.1 }),
- includeParent: PD.Boolean(false),
+ ...InteractionsSharedParams,
};
export type InteractionsInterUnitParams = typeof InteractionsInterUnitParams
@@ -121,7 +154,8 @@ export function InteractionsInterUnitVisual(materialId: number): ComplexVisual<I
newProps.dashCount !== currentProps.dashCount ||
newProps.dashScale !== currentProps.dashScale ||
newProps.dashCap !== currentProps.dashCap ||
- newProps.radialSegments !== currentProps.radialSegments
+ newProps.radialSegments !== currentProps.radialSegments ||
+ newProps.parentDisplay !== currentProps.parentDisplay
);
const interactionsHash = InteractionsProvider.get(newStructure).version;
diff --git a/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts b/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts
index de3675163db17e5eb355e8c6a9f9c6e9ffee9863..64f180a9e5d83d26663ebd3a3e664c1a95d75297 100644
--- a/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts
+++ b/src/mol-model-props/computed/representations/interactions-intra-unit-cylinder.ts
@@ -22,6 +22,8 @@ import { Interactions } from '../interactions/interactions';
import { InteractionFlag } from '../interactions/common';
import { Sphere3D } from '../../../mol-math/geometry';
import { StructureGroup } from '../../../mol-repr/structure/visual/util/common';
+import { assertUnreachable } from '../../../mol-util/type-helpers';
+import { InteractionsSharedParams } from './shared';
async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: PD.Values<InteractionsIntraUnitParams>, mesh?: Mesh) {
if (!Unit.isAtomic(unit)) return Mesh.createEmpty(mesh);
@@ -38,7 +40,7 @@ async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit:
const { x, y, z, members, offsets } = features;
const { edgeCount, a, b, edgeProps: { flag } } = contacts;
- const { sizeFactor } = props;
+ const { sizeFactor, parentDisplay } = props;
if (!edgeCount) return Mesh.createEmpty(mesh);
@@ -60,10 +62,31 @@ async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit:
if (flag[edgeIndex] === InteractionFlag.Filtered) return true;
if (childUnit) {
- const f = a[edgeIndex];
- for (let i = offsets[f], jl = offsets[f + 1]; i < jl; ++i) {
- const e = unit.elements[members[offsets[i]]];
- if (!SortedArray.has(childUnit.elements, e)) return true;
+ if (parentDisplay === 'stub') {
+ const f = a[edgeIndex];
+ for (let i = offsets[f], jl = offsets[f + 1]; i < jl; ++i) {
+ const e = unit.elements[members[offsets[i]]];
+ if (!SortedArray.has(childUnit.elements, e)) return true;
+ }
+ } else if (parentDisplay === 'full' || parentDisplay === 'between') {
+ let flagA = false;
+ let flagB = false;
+
+ const fA = a[edgeIndex];
+ for (let i = offsets[fA], jl = offsets[fA + 1]; i < jl; ++i) {
+ const eA = unit.elements[members[offsets[i]]];
+ if (!SortedArray.has(childUnit.elements, eA)) flagA = true;
+ }
+
+ const fB = b[edgeIndex];
+ for (let i = offsets[fB], jl = offsets[fB + 1]; i < jl; ++i) {
+ const eB = unit.elements[members[offsets[i]]];
+ if (!SortedArray.has(childUnit.elements, eB)) flagB = true;
+ }
+
+ return parentDisplay === 'full' ? flagA && flagB : flagA !== flagB;
+ } else {
+ assertUnreachable(parentDisplay);
}
}
@@ -86,10 +109,7 @@ async function createIntraUnitInteractionsCylinderMesh(ctx: VisualContext, unit:
export const InteractionsIntraUnitParams = {
...UnitsMeshParams,
...LinkCylinderParams,
- sizeFactor: PD.Numeric(0.3, { min: 0, max: 10, step: 0.01 }),
- dashCount: PD.Numeric(6, { min: 2, max: 10, step: 2 }),
- dashScale: PD.Numeric(0.4, { min: 0, max: 2, step: 0.1 }),
- includeParent: PD.Boolean(false),
+ ...InteractionsSharedParams,
};
export type InteractionsIntraUnitParams = typeof InteractionsIntraUnitParams
@@ -106,7 +126,8 @@ export function InteractionsIntraUnitVisual(materialId: number): UnitsVisual<Int
newProps.dashCount !== currentProps.dashCount ||
newProps.dashScale !== currentProps.dashScale ||
newProps.dashCap !== currentProps.dashCap ||
- newProps.radialSegments !== currentProps.radialSegments
+ newProps.radialSegments !== currentProps.radialSegments ||
+ newProps.parentDisplay !== currentProps.parentDisplay
);
const interactionsHash = InteractionsProvider.get(newStructureGroup.structure).version;
diff --git a/src/mol-model-props/computed/representations/shared.ts b/src/mol-model-props/computed/representations/shared.ts
new file mode 100644
index 0000000000000000000000000000000000000000..61d70bf0745baf00cd9de2ae558a3e19116e54c1
--- /dev/null
+++ b/src/mol-model-props/computed/representations/shared.ts
@@ -0,0 +1,16 @@
+/**
+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+
+import { ParamDefinition as PD } from '../../../mol-util/param-definition';
+
+export const InteractionsSharedParams = {
+ sizeFactor: PD.Numeric(0.3, { min: 0, max: 10, step: 0.01 }),
+ dashCount: PD.Numeric(6, { min: 2, max: 10, step: 2 }),
+ dashScale: PD.Numeric(0.4, { min: 0, max: 2, step: 0.1 }),
+ includeParent: PD.Boolean(false),
+ parentDisplay: PD.Select('stub', PD.arrayToOptions(['stub', 'full', 'between'] as const), { description: 'Only has an effect when "includeParent" is enabled. "Stub" shows just the child side of interactions to the parent. "Full" shows both sides of interactions to the parent. "Between" shows only interactions to the parent.' }),
+};
+export type InteractionsSharedParams = typeof InteractionsSharedParams