diff --git a/src/mol-model/shape/shape.ts b/src/mol-model/shape/shape.ts
index b911bd340fa8432444d4253b4fbcbed3608a592e..95ab6cd63d1bc859775aa14cd5203b98c145a406 100644
--- a/src/mol-model/shape/shape.ts
+++ b/src/mol-model/shape/shape.ts
@@ -55,14 +55,14 @@ export namespace Shape {
export interface Loci {
readonly kind: 'group-loci',
+ readonly shape: Shape,
readonly groups: ReadonlyArray<{
- shape: Shape,
ids: OrderedSet<number>
}>
}
- export function Loci(groups: ArrayLike<{ shape: Shape, ids: OrderedSet<number> }>): Loci {
- return { kind: 'group-loci', groups: groups as Loci['groups'] };
+ export function Loci(shape: Shape, groups: ArrayLike<{ ids: OrderedSet<number> }>): Loci {
+ return { kind: 'group-loci', shape, groups: groups as Loci['groups'] };
}
export function isLoci(x: any): x is Loci {
@@ -70,11 +70,11 @@ export namespace Shape {
}
export function areLociEqual(a: Loci, b: Loci) {
+ if (a.shape !== b.shape) return false
if (a.groups.length !== b.groups.length) return false
for (let i = 0, il = a.groups.length; i < il; ++i) {
const groupA = a.groups[i]
const groupB = b.groups[i]
- if (groupA.shape.id !== groupB.shape.id) return false
if (!OrderedSet.areEqual(groupA.ids, groupB.ids)) return false
}
return true
diff --git a/src/mol-model/structure/query/selection.ts b/src/mol-model/structure/query/selection.ts
index bd258621e8cc202239fb0d5a2c92b801c7047a06..b257170712dc78158da19a0787c0f4718a8a615f 100644
--- a/src/mol-model/structure/query/selection.ts
+++ b/src/mol-model/structure/query/selection.ts
@@ -50,7 +50,7 @@ namespace StructureSelection {
}
}
- return StructureElement.Loci(loci);
+ return StructureElement.Loci(sel.source, loci);
}
export interface Builder {
diff --git a/src/mol-model/structure/structure/element.ts b/src/mol-model/structure/structure/element.ts
index 197ff5cb7034d2bd0bb6b8ece37ce542bee8ea1d..24594303dae766cec31f905f2952992ca6a4159b 100644
--- a/src/mol-model/structure/structure/element.ts
+++ b/src/mol-model/structure/structure/element.ts
@@ -8,6 +8,7 @@ import { OrderedSet, SortedArray } from 'mol-data/int'
import Unit from './unit'
import { ElementIndex } from '../model';
import { ResidueIndex, ChainIndex } from '../model/indexing';
+import Structure from './structure';
interface StructureElement<U = Unit> {
readonly kind: 'element-location',
@@ -44,6 +45,7 @@ namespace StructureElement {
/** Represents multiple element index locations */
export interface Loci {
readonly kind: 'element-loci',
+ readonly structure: Structure,
/** Access i-th element as unit.elements[indices[i]] */
readonly elements: ReadonlyArray<{
unit: Unit,
@@ -55,8 +57,8 @@ namespace StructureElement {
}>
}
- export function Loci(elements: ArrayLike<{ unit: Unit, indices: OrderedSet<UnitIndex> }>): Loci {
- return { kind: 'element-loci', elements: elements as Loci['elements'] };
+ export function Loci(structure: Structure, elements: ArrayLike<{ unit: Unit, indices: OrderedSet<UnitIndex> }>): Loci {
+ return { kind: 'element-loci', structure, elements: elements as Loci['elements'] };
}
export function isLoci(x: any): x is Loci {
diff --git a/src/mol-model/structure/structure/unit/links.ts b/src/mol-model/structure/structure/unit/links.ts
index 12f24b5c0ff5908752907602b2177b5913f49aae..ecefe98af02b59f283ad3a0de0e146808e425053 100644
--- a/src/mol-model/structure/structure/unit/links.ts
+++ b/src/mol-model/structure/structure/unit/links.ts
@@ -41,11 +41,12 @@ namespace Link {
export interface Loci {
readonly kind: 'link-loci',
+ readonly structure: Structure
readonly links: ReadonlyArray<Location>
}
- export function Loci(links: ArrayLike<Location>): Loci {
- return { kind: 'link-loci', links: links as Loci['links'] };
+ export function Loci(structure: Structure, links: ArrayLike<Location>): Loci {
+ return { kind: 'link-loci', structure, links: links as Loci['links'] };
}
export function isLoci(x: any): x is Loci {
diff --git a/src/mol-repr/shape/index.ts b/src/mol-repr/shape/index.ts
index ee22bdf32dd6add15d5ab4a1e5ed9b93bb3904b9..632458983dd63be0c085552b95fa36daae7cfeaf 100644
--- a/src/mol-repr/shape/index.ts
+++ b/src/mol-repr/shape/index.ts
@@ -69,7 +69,7 @@ export function ShapeRepresentation<P extends ShapeProps>(): ShapeRepresentation
getLoci(pickingId: PickingId) {
const { objectId, groupId } = pickingId
if (_renderObject && _renderObject.id === objectId) {
- return Shape.Loci([ { shape: _shape, ids: OrderedSet.ofSingleton(groupId) } ])
+ return Shape.Loci(_shape, [{ ids: OrderedSet.ofSingleton(groupId) }])
}
return EmptyLoci
},
diff --git a/src/mol-repr/structure/units-visual.ts b/src/mol-repr/structure/units-visual.ts
index c4c8e856418fb1cc91790c6ea96de193c6c7f9d9..29a00fc88bb991cf23f2c88a0fa9b921bea4d1c1 100644
--- a/src/mol-repr/structure/units-visual.ts
+++ b/src/mol-repr/structure/units-visual.ts
@@ -50,8 +50,8 @@ interface UnitsVisualBuilder<P extends UnitsProps, G extends Geometry> {
defaultProps: P
createGeometry(ctx: VisualContext, unit: Unit, structure: Structure, theme: Theme, props: P, geometry?: G): Promise<G>
createLocationIterator(group: Unit.SymmetryGroup): LocationIterator
- getLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number): Loci
- mark(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean): boolean
+ getLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number): Loci
+ mark(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean): boolean
setUpdateState(state: VisualUpdateState, newProps: P, currentProps: P): void
}
@@ -168,7 +168,7 @@ export function UnitsVisual<P extends UnitsProps>(builder: UnitsVisualGeometryBu
}
},
getLoci(pickingId: PickingId) {
- return renderObject ? getLoci(pickingId, currentGroup, renderObject.id) : EmptyLoci
+ return renderObject ? getLoci(pickingId, { structure: currentStructure, group: currentGroup }, renderObject.id) : EmptyLoci
},
mark(loci: Loci, action: MarkerAction) {
if (!renderObject) return false
@@ -185,7 +185,7 @@ export function UnitsVisual<P extends UnitsProps>(builder: UnitsVisualGeometryBu
if (isEveryLoci(loci)) {
changed = apply(Interval.ofBounds(0, groupCount * instanceCount))
} else {
- changed = mark(loci, currentGroup, apply)
+ changed = mark(loci, { structure: currentStructure, group: currentGroup }, apply)
}
if (changed) {
ValueCell.update(tMarker, tMarker.ref.value)
diff --git a/src/mol-repr/structure/visual/carbohydrate-link-cylinder.ts b/src/mol-repr/structure/visual/carbohydrate-link-cylinder.ts
index f4c555c956078e76575eb239a31b503fd4ce9e03..9654d7b089baa34308453ae38255c723c5a63d78 100644
--- a/src/mol-repr/structure/visual/carbohydrate-link-cylinder.ts
+++ b/src/mol-repr/structure/visual/carbohydrate-link-cylinder.ts
@@ -114,7 +114,7 @@ function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) {
const indexA = OrderedSet.indexOf(carbA.unit.elements, carbA.anomericCarbon)
const indexB = OrderedSet.indexOf(carbB.unit.elements, carbB.anomericCarbon)
if (indexA !== -1 && indexB !== -1) {
- return Link.Loci([
+ return Link.Loci(structure, [
Link.Location(
carbA.unit, indexA as StructureElement.UnitIndex,
carbB.unit, indexB as StructureElement.UnitIndex
diff --git a/src/mol-repr/structure/visual/carbohydrate-symbol-mesh.ts b/src/mol-repr/structure/visual/carbohydrate-symbol-mesh.ts
index 4c7597b923640c14c104005990c842802ad9637e..2d760f0b10d0b122fa6bb8b28d55470327d4be92 100644
--- a/src/mol-repr/structure/visual/carbohydrate-symbol-mesh.ts
+++ b/src/mol-repr/structure/visual/carbohydrate-symbol-mesh.ts
@@ -193,7 +193,7 @@ function getCarbohydrateLoci(pickingId: PickingId, structure: Structure, id: num
const index = OrderedSet.indexOf(unit.elements, carb.anomericCarbon)
if (index !== -1) {
const indices = OrderedSet.ofSingleton(index as StructureElement.UnitIndex)
- return StructureElement.Loci([{ unit, indices }])
+ return StructureElement.Loci(structure, [{ unit, indices }])
}
}
return EmptyLoci
diff --git a/src/mol-repr/structure/visual/cross-link-restraint-cylinder.ts b/src/mol-repr/structure/visual/cross-link-restraint-cylinder.ts
index ff1c7e3b7953624e859b1feed1b4114e0b08caba..1f37817871e789dbd3ce08395919e4bf522b41b3 100644
--- a/src/mol-repr/structure/visual/cross-link-restraint-cylinder.ts
+++ b/src/mol-repr/structure/visual/cross-link-restraint-cylinder.ts
@@ -94,7 +94,7 @@ function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) {
if (id === objectId) {
const pair = structure.crossLinkRestraints.pairs[groupId]
if (pair) {
- return Link.Loci([ Link.Location(pair.unitA, pair.indexA, pair.unitB, pair.indexB) ])
+ return Link.Loci(structure, [ Link.Location(pair.unitA, pair.indexA, pair.unitB, pair.indexB) ])
}
}
return EmptyLoci
diff --git a/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts b/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts
index 715e64e518e8cb79b5b1994da19d31f6ae5baec2..7a96419a33dff1f19d4710eb2a24768692e05ccb 100644
--- a/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts
+++ b/src/mol-repr/structure/visual/inter-unit-link-cylinder.ts
@@ -73,7 +73,7 @@ function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) {
const { objectId, groupId } = pickingId
if (id === objectId) {
const bond = structure.links.bonds[groupId]
- return Link.Loci([
+ return Link.Loci(structure, [
Link.Location(
bond.unitA, bond.indexA as StructureElement.UnitIndex,
bond.unitB, bond.indexB as StructureElement.UnitIndex
@@ -85,12 +85,11 @@ function getLinkLoci(pickingId: PickingId, structure: Structure, id: number) {
function markLink(loci: Loci, structure: Structure, apply: (interval: Interval) => boolean) {
let changed = false
- if (Link.isLoci(loci)) {
- for (const b of loci.links) {
- const idx = structure.links.getBondIndex(b.aIndex, b.aUnit, b.bIndex, b.bUnit)
- if (idx !== -1) {
- if (apply(Interval.ofSingleton(idx))) changed = true
- }
+ if (!Link.isLoci(loci)) return false
+ for (const b of loci.links) {
+ const idx = structure.links.getBondIndex(b.aIndex, b.aUnit, b.bIndex, b.bUnit)
+ if (idx !== -1) {
+ if (apply(Interval.ofSingleton(idx))) changed = true
}
}
return changed
diff --git a/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts b/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts
index ca5e2a295d119467190d9a166465ac49d1a1b32d..69d2aafd1fc1f377ebe200cd00511dc477d0d439 100644
--- a/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts
+++ b/src/mol-repr/structure/visual/intra-unit-link-cylinder.ts
@@ -11,7 +11,7 @@ import { VisualUpdateState } from '../../util';
import { LinkCylinderProps, createLinkCylinderMesh, LinkIterator, LinkCylinderParams } from './util/link';
import { Vec3 } from 'mol-math/linear-algebra';
import { Loci, EmptyLoci } from 'mol-model/loci';
-import { UnitsMeshVisual, UnitsMeshParams } from '../units-visual';
+import { UnitsMeshVisual, UnitsMeshParams, StructureGroup } from '../units-visual';
import { Interval } from 'mol-data/int';
import { SizeThemeName, SizeThemeOptions } from 'mol-theme/size';
import { BitFlags } from 'mol-util';
@@ -87,33 +87,37 @@ export function IntraUnitLinkVisual(): UnitsVisual<IntraUnitLinkProps> {
})
}
-function getLinkLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number) {
+function getLinkLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number) {
const { objectId, instanceId, groupId } = pickingId
- const unit = group.units[instanceId]
- if (id === objectId && Unit.isAtomic(unit)) {
- return Link.Loci([
- Link.Location(
- unit, unit.links.a[groupId] as StructureElement.UnitIndex,
- unit, unit.links.b[groupId] as StructureElement.UnitIndex
- )
- ])
+ if (id === objectId) {
+ const { structure, group } = structureGroup
+ const unit = group.units[instanceId]
+ if (Unit.isAtomic(unit)) {
+ return Link.Loci(structure, [
+ Link.Location(
+ unit, unit.links.a[groupId] as StructureElement.UnitIndex,
+ unit, unit.links.b[groupId] as StructureElement.UnitIndex
+ )
+ ])
+ }
}
return EmptyLoci
}
-function markLink(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean) {
- const unit = group.units[0]
-
+function markLink(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean) {
let changed = false
- if (Unit.isAtomic(unit) && Link.isLoci(loci)) {
- const groupCount = unit.links.edgeCount * 2
- for (const b of loci.links) {
- const unitIdx = group.unitIndexMap.get(b.aUnit.id)
- if (unitIdx !== undefined) {
- const idx = unit.links.getDirectedEdgeIndex(b.aIndex, b.bIndex)
- if (idx !== -1) {
- if (apply(Interval.ofSingleton(unitIdx * groupCount + idx))) changed = true
- }
+ if (!Link.isLoci(loci)) return false
+ const { structure, group } = structureGroup
+ if (loci.structure !== structure) return false
+ const unit = group.units[0]
+ if (!Unit.isAtomic(unit)) return false
+ const groupCount = unit.links.edgeCount * 2
+ for (const b of loci.links) {
+ const unitIdx = group.unitIndexMap.get(b.aUnit.id)
+ if (unitIdx !== undefined) {
+ const idx = unit.links.getDirectedEdgeIndex(b.aIndex, b.bIndex)
+ if (idx !== -1) {
+ if (apply(Interval.ofSingleton(unitIdx * groupCount + idx))) changed = true
}
}
}
diff --git a/src/mol-repr/structure/visual/util/element.ts b/src/mol-repr/structure/visual/util/element.ts
index e1ccb69774b2497ffd08b7a936f497d67c1ca5e8..5bc0407967feadb297c55e6570e0d1549d32398a 100644
--- a/src/mol-repr/structure/visual/util/element.ts
+++ b/src/mol-repr/structure/visual/util/element.ts
@@ -16,6 +16,7 @@ import { PickingId } from 'mol-geo/geometry/picking';
import { LocationIterator } from 'mol-geo/util/location-iterator';
import { VisualContext } from 'mol-repr';
import { Theme } from 'mol-geo/geometry/geometry';
+import { StructureGroup } from 'mol-repr/structure/units-visual';
export interface ElementSphereMeshProps {
detail: number,
@@ -49,23 +50,23 @@ export async function createElementSphereMesh(ctx: VisualContext, unit: Unit, st
return meshBuilder.getMesh()
}
-export function markElement(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean) {
- const elementCount = group.elements.length
-
+export function markElement(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean) {
let changed = false
- if (StructureElement.isLoci(loci)) {
- for (const e of loci.elements) {
- const unitIdx = group.unitIndexMap.get(e.unit.id)
- if (unitIdx !== undefined) {
- if (Interval.is(e.indices)) {
- const start = unitIdx * elementCount + Interval.start(e.indices);
- const end = unitIdx * elementCount + Interval.end(e.indices);
- if (apply(Interval.ofBounds(start, end))) changed = true
- } else {
- for (let i = 0, _i = e.indices.length; i < _i; i++) {
- const idx = unitIdx * elementCount + e.indices[i];
- if (apply(Interval.ofSingleton(idx))) changed = true
- }
+ if (!StructureElement.isLoci(loci)) return false
+ const { structure, group } = structureGroup
+ if (loci.structure !== structure) return false
+ const elementCount = group.elements.length
+ for (const e of loci.elements) {
+ const unitIdx = group.unitIndexMap.get(e.unit.id)
+ if (unitIdx !== undefined) {
+ if (Interval.is(e.indices)) {
+ const start = unitIdx * elementCount + Interval.start(e.indices);
+ const end = unitIdx * elementCount + Interval.end(e.indices);
+ if (apply(Interval.ofBounds(start, end))) changed = true
+ } else {
+ for (let i = 0, _i = e.indices.length; i < _i; i++) {
+ const idx = unitIdx * elementCount + e.indices[i];
+ if (apply(Interval.ofSingleton(idx))) changed = true
}
}
}
@@ -73,12 +74,13 @@ export function markElement(loci: Loci, group: Unit.SymmetryGroup, apply: (inter
return changed
}
-export function getElementLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number) {
+export function getElementLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number) {
const { objectId, instanceId, groupId } = pickingId
if (id === objectId) {
+ const { structure, group } = structureGroup
const unit = group.units[instanceId]
const indices = OrderedSet.ofSingleton(groupId as StructureElement.UnitIndex);
- return StructureElement.Loci([{ unit, indices }])
+ return StructureElement.Loci(structure, [{ unit, indices }])
}
return EmptyLoci
}
diff --git a/src/mol-repr/structure/visual/util/nucleotide.ts b/src/mol-repr/structure/visual/util/nucleotide.ts
index 2ce7b7cb97e55d11c9d6c4f2f500590ed3283206..9d5b0981f7a0c3a96ee6904bcab4fc536151bcd1 100644
--- a/src/mol-repr/structure/visual/util/nucleotide.ts
+++ b/src/mol-repr/structure/visual/util/nucleotide.ts
@@ -10,6 +10,7 @@ import { Loci, EmptyLoci } from 'mol-model/loci';
import { OrderedSet, Interval } from 'mol-data/int';
import { LocationIterator } from 'mol-geo/util/location-iterator';
import { PickingId } from 'mol-geo/geometry/picking';
+import { StructureGroup } from 'mol-repr/structure/units-visual';
export namespace NucleotideLocationIterator {
export function fromGroup(group: Unit.SymmetryGroup): LocationIterator {
@@ -28,41 +29,44 @@ export namespace NucleotideLocationIterator {
}
}
-export function getNucleotideElementLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number) {
+export function getNucleotideElementLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number) {
const { objectId, instanceId, groupId } = pickingId
if (id === objectId) {
+ const { structure, group } = structureGroup
const unit = group.units[instanceId]
if (Unit.isAtomic(unit)) {
const unitIndex = OrderedSet.indexOf(unit.elements, unit.nucleotideElements[groupId]) as StructureElement.UnitIndex
if (unitIndex !== -1) {
const indices = OrderedSet.ofSingleton(unitIndex)
- return StructureElement.Loci([{ unit, indices }])
+ return StructureElement.Loci(structure, [{ unit, indices }])
}
}
}
return EmptyLoci
}
-export function markNucleotideElement(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean) {
+export function markNucleotideElement(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean) {
let changed = false
- const u = group.units[0]
- if (StructureElement.isLoci(loci) && Unit.isAtomic(u)) {
- const groupCount = u.nucleotideElements.length
- for (const e of loci.elements) {
- const unitIdx = group.unitIndexMap.get(e.unit.id)
- if (unitIdx !== undefined && Unit.isAtomic(e.unit)) {
- if (Interval.is(e.indices)) {
- const min = OrderedSet.indexOf(e.unit.nucleotideElements, e.unit.elements[Interval.min(e.indices)])
- const max = OrderedSet.indexOf(e.unit.nucleotideElements, e.unit.elements[Interval.max(e.indices)])
- if (min !== -1 && max !== -1) {
- if (apply(Interval.ofRange(unitIdx * groupCount + min, unitIdx * groupCount + max))) changed = true
- }
- } else {
- for (let i = 0, _i = e.indices.length; i < _i; i++) {
- const idx = OrderedSet.indexOf(e.unit.nucleotideElements, e.unit.elements[e.indices[i]])
- if (idx !== -1) {
- if (apply(Interval.ofSingleton(unitIdx * groupCount + idx))) changed = true
- }
+ if (!StructureElement.isLoci(loci)) return false
+ const { structure, group } = structureGroup
+ if (loci.structure !== structure) return false
+ const unit = group.units[0]
+ if (!Unit.isAtomic(unit)) return false
+ const groupCount = unit.nucleotideElements.length
+ for (const e of loci.elements) {
+ const unitIdx = group.unitIndexMap.get(e.unit.id)
+ if (unitIdx !== undefined && Unit.isAtomic(e.unit)) {
+ if (Interval.is(e.indices)) {
+ const min = OrderedSet.indexOf(e.unit.nucleotideElements, e.unit.elements[Interval.min(e.indices)])
+ const max = OrderedSet.indexOf(e.unit.nucleotideElements, e.unit.elements[Interval.max(e.indices)])
+ if (min !== -1 && max !== -1) {
+ if (apply(Interval.ofRange(unitIdx * groupCount + min, unitIdx * groupCount + max))) changed = true
+ }
+ } else {
+ for (let i = 0, _i = e.indices.length; i < _i; i++) {
+ const idx = OrderedSet.indexOf(e.unit.nucleotideElements, e.unit.elements[e.indices[i]])
+ if (idx !== -1) {
+ if (apply(Interval.ofSingleton(unitIdx * groupCount + idx))) changed = true
}
}
}
diff --git a/src/mol-repr/structure/visual/util/polymer.ts b/src/mol-repr/structure/visual/util/polymer.ts
index 80ff883ab70a95da86bf43de69a4f738a96e73a0..79e24b21f6001e9420bebf7daa763586e8cd9823 100644
--- a/src/mol-repr/structure/visual/util/polymer.ts
+++ b/src/mol-repr/structure/visual/util/polymer.ts
@@ -10,6 +10,7 @@ import { OrderedSet, Interval } from 'mol-data/int';
import { EmptyLoci, Loci } from 'mol-model/loci';
import { LocationIterator } from 'mol-geo/util/location-iterator';
import { PickingId } from 'mol-geo/geometry/picking';
+import { StructureGroup } from 'mol-repr/structure/units-visual';
export * from './polymer/backbone-iterator'
export * from './polymer/gap-iterator'
@@ -64,9 +65,10 @@ export namespace PolymerGapLocationIterator {
}
}
-export function getPolymerElementLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number) {
+export function getPolymerElementLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number) {
const { objectId, instanceId, groupId } = pickingId
if (id === objectId) {
+ const { structure, group } = structureGroup
const unit = group.units[instanceId]
if (unit === undefined) {
console.log(id, { objectId, instanceId, groupId }, group.units)
@@ -74,32 +76,32 @@ export function getPolymerElementLoci(pickingId: PickingId, group: Unit.Symmetry
const unitIndex = OrderedSet.indexOf(unit.elements, unit.polymerElements[groupId]) as StructureElement.UnitIndex
if (unitIndex !== -1) {
const indices = OrderedSet.ofSingleton(unitIndex)
- return StructureElement.Loci([{ unit, indices }])
+ return StructureElement.Loci(structure, [{ unit, indices }])
}
}
return EmptyLoci
}
-export function markPolymerElement(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean) {
- const groupCount = group.units[0].polymerElements.length
-
+export function markPolymerElement(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean) {
let changed = false
- if (StructureElement.isLoci(loci)) {
- for (const e of loci.elements) {
- const unitIdx = group.unitIndexMap.get(e.unit.id)
- if (unitIdx !== undefined) {
- if (Interval.is(e.indices)) {
- const min = + OrderedSet.indexOf(e.unit.polymerElements, e.unit.elements[Interval.min(e.indices)])
- const max = OrderedSet.indexOf(e.unit.polymerElements, e.unit.elements[Interval.max(e.indices)])
- if (min !== -1 && max !== -1) {
- if (apply(Interval.ofRange(unitIdx * groupCount + min, unitIdx * groupCount + max))) changed = true
- }
- } else {
- for (let i = 0, _i = e.indices.length; i < _i; i++) {
- const idx = OrderedSet.indexOf(e.unit.polymerElements, e.unit.elements[e.indices[i]])
- if (idx !== -1) {
- if (apply(Interval.ofSingleton(unitIdx * groupCount + idx))) changed = true
- }
+ if (!StructureElement.isLoci(loci)) return false
+ const { structure, group } = structureGroup
+ if (loci.structure !== structure) return false
+ const groupCount = group.units[0].polymerElements.length
+ for (const e of loci.elements) {
+ const unitIdx = group.unitIndexMap.get(e.unit.id)
+ if (unitIdx !== undefined) {
+ if (Interval.is(e.indices)) {
+ const min = OrderedSet.indexOf(e.unit.polymerElements, e.unit.elements[Interval.min(e.indices)])
+ const max = OrderedSet.indexOf(e.unit.polymerElements, e.unit.elements[Interval.max(e.indices)])
+ if (min !== -1 && max !== -1) {
+ if (apply(Interval.ofRange(unitIdx * groupCount + min, unitIdx * groupCount + max))) changed = true
+ }
+ } else {
+ for (let i = 0, _i = e.indices.length; i < _i; i++) {
+ const idx = OrderedSet.indexOf(e.unit.polymerElements, e.unit.elements[e.indices[i]])
+ if (idx !== -1) {
+ if (apply(Interval.ofSingleton(unitIdx * groupCount + idx))) changed = true
}
}
}
@@ -108,31 +110,33 @@ export function markPolymerElement(loci: Loci, group: Unit.SymmetryGroup, apply:
return changed
}
-export function getPolymerGapElementLoci(pickingId: PickingId, group: Unit.SymmetryGroup, id: number) {
+export function getPolymerGapElementLoci(pickingId: PickingId, structureGroup: StructureGroup, id: number) {
const { objectId, instanceId, groupId } = pickingId
if (id === objectId) {
+ const { structure, group } = structureGroup
const unit = group.units[instanceId]
const unitIndexA = OrderedSet.indexOf(unit.elements, unit.gapElements[groupId]) as StructureElement.UnitIndex
const unitIndexB = OrderedSet.indexOf(unit.elements, unit.gapElements[groupId % 2 ? groupId - 1 : groupId + 1]) as StructureElement.UnitIndex
if (unitIndexA !== -1 && unitIndexB !== -1) {
- return Link.Loci([ Link.Location(unit, unitIndexA, unit, unitIndexB) ])
+ return Link.Loci(structure, [ Link.Location(unit, unitIndexA, unit, unitIndexB) ])
}
}
return EmptyLoci
}
-export function markPolymerGapElement(loci: Loci, group: Unit.SymmetryGroup, apply: (interval: Interval) => boolean) {
+export function markPolymerGapElement(loci: Loci, structureGroup: StructureGroup, apply: (interval: Interval) => boolean) {
let changed = false
- if (Link.isLoci(loci)) {
- const groupCount = group.units[0].gapElements.length
- for (const b of loci.links) {
- const unitIdx = group.unitIndexMap.get(b.aUnit.id)
- if (unitIdx !== undefined) {
- const idxA = OrderedSet.indexOf(b.aUnit.gapElements, b.aUnit.elements[b.aIndex])
- const idxB = OrderedSet.indexOf(b.bUnit.gapElements, b.bUnit.elements[b.bIndex])
- if (idxA !== -1 && idxB !== -1) {
- if (apply(Interval.ofSingleton(unitIdx * groupCount + idxA))) changed = true
- }
+ if (!Link.isLoci(loci)) return false
+ const { structure, group } = structureGroup
+ if (loci.structure !== structure) return false
+ const groupCount = group.units[0].gapElements.length
+ for (const b of loci.links) {
+ const unitIdx = group.unitIndexMap.get(b.aUnit.id)
+ if (unitIdx !== undefined) {
+ const idxA = OrderedSet.indexOf(b.aUnit.gapElements, b.aUnit.elements[b.aIndex])
+ const idxB = OrderedSet.indexOf(b.bUnit.gapElements, b.bUnit.elements[b.bIndex])
+ if (idxA !== -1 && idxB !== -1) {
+ if (apply(Interval.ofSingleton(unitIdx * groupCount + idxA))) changed = true
}
}
}