diff --git a/src/apps/render-test/state.ts b/src/apps/render-test/state.ts
index 6aa45fc9433db7d98662b844267669a0ee907f6b..96a16b2786411c3ead90508a4c0e1724a5367e87 100644
--- a/src/apps/render-test/state.ts
+++ b/src/apps/render-test/state.ts
@@ -120,11 +120,11 @@ export default class State {
async function createSpacefills (structure: Structure) {
const spacefills: RenderObject[] = []
const { elements, units } = structure;
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unitId = unitIds[i];
const unit = units[unitId];
- const atomGroup = ElementSet.unitGetByIndex(elements, i);
+ const atomGroup = ElementSet.groupAt(elements, i);
const spacefill = Spacefill()
spacefills.push(...await Run(spacefill.create(unit, atomGroup), log, 1))
diff --git a/src/mol-geo/representation/structure/index.ts b/src/mol-geo/representation/structure/index.ts
index 3ee1a5502bc2b79f8c1d614371a236ea8532ada6..24e03ee93d44befed4ae76ef773ed6bfa687f1ca 100644
--- a/src/mol-geo/representation/structure/index.ts
+++ b/src/mol-geo/representation/structure/index.ts
@@ -36,8 +36,8 @@ export class StructureRepresentation {
ElementGroup.hashCode,
(a, b) => units[a.key].model.id === units[b.key].model.id && OrderedSet.areEqual(a.elements, b.elements));
- for (let i = 0, _i = ElementSet.unitCount(elements); i < _i; i++) {
- const group = ElementSet.unitGetByIndex(elements, i);
+ for (let i = 0, _i = ElementSet.groupCount(elements); i < _i; i++) {
+ const group = ElementSet.groupAt(elements, i);
uniqueGroups.add(group.key, group);
}
diff --git a/src/mol-model/structure/_spec/atom-set.spec.ts b/src/mol-model/structure/_spec/atom-set.spec.ts
index 582e7798d261e4aa7ff7345836eae323105adace..60b208053c028b902523853e1a01d0587c0b027c 100644
--- a/src/mol-model/structure/_spec/atom-set.spec.ts
+++ b/src/mol-model/structure/_spec/atom-set.spec.ts
@@ -26,7 +26,7 @@ describe('atom set', () => {
expect(setToPairs(set)).toEqual([p(10, 11)]);
expect(ElementSet.elementHas(set, p(10, 11))).toBe(true);
expect(ElementSet.elementHas(set, p(11, 11))).toBe(false);
- expect(ElementSet.elementGetAt(set, 0)).toBe(p(10, 11));
+ expect(ElementSet.elementAt(set, 0)).toBe(p(10, 11));
expect(ElementSet.elementCount(set)).toBe(1);
});
@@ -35,7 +35,7 @@ describe('atom set', () => {
expect(setToPairs(set)).toEqual([p(10, 11)]);
expect(ElementSet.elementHas(set, p(10, 11))).toBe(true);
expect(ElementSet.elementHas(set, p(11, 11))).toBe(false);
- expect(ElementSet.elementGetAt(set, 0)).toBe(p(10, 11));
+ expect(ElementSet.elementAt(set, 0)).toBe(p(10, 11));
expect(ElementSet.elementCount(set)).toBe(1);
});
@@ -51,7 +51,7 @@ describe('atom set', () => {
expect(ElementSet.elementHas(set, p(3, 0))).toBe(true);
expect(ElementSet.elementHas(set, p(1, 7))).toBe(true);
for (let i = 0; i < ElementSet.elementCount(set); i++) {
- expect(Element.areEqual(ElementSet.elementGetAt(set, i), ret[i])).toBe(true);
+ expect(Element.areEqual(ElementSet.elementAt(set, i), ret[i])).toBe(true);
}
});
@@ -62,8 +62,8 @@ describe('atom set', () => {
gen.add(1, OrderedSet.ofSingleton(3));
const set = gen.getSet();
- expect(ElementSet.unitGetById(set, 0)).toBe(ElementSet.unitGetById(template, 0));
- expect(ElementSet.unitGetById(set, 1)).toBe(ElementSet.unitGetById(template, 1));
+ expect(ElementSet.groupFromUnitIndex(set, 0)).toBe(ElementSet.groupFromUnitIndex(template, 0));
+ expect(ElementSet.groupFromUnitIndex(set, 1)).toBe(ElementSet.groupFromUnitIndex(template, 1));
expect(set).toBe(template);
});
@@ -74,8 +74,8 @@ describe('atom set', () => {
gen.add(1, OrderedSet.ofSingleton(4));
const set = gen.getSet();
- expect(ElementSet.unitGetById(set, 0)).toBe(ElementSet.unitGetById(template, 0));
- expect(ElementSet.unitGetById(set, 1) === ElementSet.unitGetById(template, 1)).toBe(false);
+ expect(ElementSet.groupFromUnitIndex(set, 0)).toBe(ElementSet.groupFromUnitIndex(template, 0));
+ expect(ElementSet.groupFromUnitIndex(set, 1) === ElementSet.groupFromUnitIndex(template, 1)).toBe(false);
expect(set === template).toBe(false);
});
@@ -89,9 +89,9 @@ describe('atom set', () => {
const u0 = ElementSet.union([p01, p02, p06], template);
const u1 = ElementSet.union([p01, p02, p06, p13], template);
- expect(ElementSet.unitGetById(u0, 0)).toBe(ElementSet.unitGetById(template, 0));
- expect(ElementSet.unitGetById(u1, 0)).toBe(ElementSet.unitGetById(template, 0));
- expect(ElementSet.unitGetById(u1, 1)).toBe(ElementSet.unitGetById(template, 1));
+ expect(ElementSet.groupFromUnitIndex(u0, 0)).toBe(ElementSet.groupFromUnitIndex(template, 0));
+ expect(ElementSet.groupFromUnitIndex(u1, 0)).toBe(ElementSet.groupFromUnitIndex(template, 0));
+ expect(ElementSet.groupFromUnitIndex(u1, 1)).toBe(ElementSet.groupFromUnitIndex(template, 1));
expect(u1).toBe(template);
});
@@ -108,7 +108,7 @@ describe('atom set', () => {
}
const ms = gen.getSet();
for (let i = 0; i < control.length; i++) {
- expect(Element.areEqual(ElementSet.elementGetAt(ms, i), control[i])).toBe(true);
+ expect(Element.areEqual(ElementSet.elementAt(ms, i), control[i])).toBe(true);
}
for (let i = 0; i < control.length; i++) {
diff --git a/src/mol-model/structure/query/generators.ts b/src/mol-model/structure/query/generators.ts
index d07f305346c59592a42d1674c45025e312cfc13e..56beedae592d85f6436c39ba1593fc9f77a17e35 100644
--- a/src/mol-model/structure/query/generators.ts
+++ b/src/mol-model/structure/query/generators.ts
@@ -46,14 +46,14 @@ export function atoms(params?: Partial<AtomGroupsQueryParams>): Query.Provider {
function atomGroupsLinear(atomTest: Element.Predicate): Query.Provider {
return async (structure, ctx) => {
const { elements, units } = structure;
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
const l = Element.Location();
const builder = ElementSet.LinearBuilder(elements);
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unitId = unitIds[i];
l.unit = units[unitId];
- const set = ElementSet.unitGetByIndex(elements, i).elements;
+ const set = ElementSet.groupAt(elements, i).elements;
builder.beginUnit();
for (let j = 0, _j = OrderedSet.size(set); j < _j; j++) {
@@ -72,7 +72,7 @@ function atomGroupsLinear(atomTest: Element.Predicate): Query.Provider {
function atomGroupsSegmented({ entityTest, chainTest, residueTest, atomTest }: AtomGroupsQueryParams): Query.Provider {
return async (structure, ctx) => {
const { elements, units } = structure;
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
const l = Element.Location();
const builder = ElementSet.LinearBuilder(elements);
@@ -80,7 +80,7 @@ function atomGroupsSegmented({ entityTest, chainTest, residueTest, atomTest }: A
const unitId = unitIds[i];
const unit = units[unitId];
l.unit = unit;
- const set = ElementSet.unitGetByIndex(elements, i).elements;
+ const set = ElementSet.groupAt(elements, i).elements;
builder.beginUnit();
const chainsIt = Segmentation.transientSegments(unit.hierarchy.chainSegments, set);
@@ -164,7 +164,7 @@ class LinearGroupingBuilder {
function atomGroupsGrouped({ entityTest, chainTest, residueTest, atomTest, groupBy }: AtomGroupsQueryParams): Query.Provider {
return async (structure, ctx) => {
const { elements, units } = structure;
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
const l = Element.Location();
const builder = new LinearGroupingBuilder(structure);
@@ -172,7 +172,7 @@ function atomGroupsGrouped({ entityTest, chainTest, residueTest, atomTest, group
const unitId = unitIds[i];
const unit = units[unitId];
l.unit = unit;
- const set = ElementSet.unitGetByIndex(elements, i).elements;
+ const set = ElementSet.groupAt(elements, i).elements;
const chainsIt = Segmentation.transientSegments(unit.hierarchy.chainSegments, set);
const residuesIt = Segmentation.transientSegments(unit.hierarchy.residueSegments, set);
diff --git a/src/mol-model/structure/query/selection.ts b/src/mol-model/structure/query/selection.ts
index fb4f43f7dc10673043445fdacd30f8a0890ac183..f9f516710817ea7ae9d8c042457a7f81e2f53a2d 100644
--- a/src/mol-model/structure/query/selection.ts
+++ b/src/mol-model/structure/query/selection.ts
@@ -35,7 +35,7 @@ namespace Selection {
export function getAt(sel: Selection, i: number): Structure {
if (isSingleton(sel)) {
- const atom = ElementSet.elementGetAt(sel.set, i);
+ const atom = ElementSet.elementAt(sel.set, i);
return Structure.create(sel.structure.units, ElementSet.singleton(atom, sel.structure.elements));
}
return Structure.create(sel.structure.units, sel.sets[i]);
diff --git a/src/mol-model/structure/structure/element/impl/set.ts b/src/mol-model/structure/structure/element/impl/set.ts
index cae6746058e0c0ecd8925fc326586c71cf2e09cb..2aaf3182e5f1ea62f0c313357d3b48d6b8a5dd4c 100644
--- a/src/mol-model/structure/structure/element/impl/set.ts
+++ b/src/mol-model/structure/structure/element/impl/set.ts
@@ -9,10 +9,19 @@ import { sortArray } from 'mol-data/util/sort'
import { hash1 } from 'mol-data/util/hash-functions'
import Element from '../../element'
import ElementGroup from '../group'
+import { ElementSetLookup3D } from '../../util/lookup3d'
+import Structure from '../../structure';
/** Long and painful implementation starts here */
-export type ElementSetImpl = { groups: IntMap<ElementGroup>, offsets: Int32Array, hashCode: number, keys: SortedArray }
+export type ElementSetImpl = {
+ groups: IntMap<ElementGroup>,
+ offsets: Int32Array,
+ hashCode: number,
+ keys: SortedArray,
+
+ __lookup3d__?: ElementSetLookup3D
+}
export const Empty: ElementSetImpl = { groups: IntMap.Empty, offsets: new Int32Array(1), hashCode: 0, keys: SortedArray.Empty };
@@ -270,6 +279,13 @@ export function Generator() {
return new AtomSetGenerator();
}
+export function getLookup3d(s: Structure) {
+ const set = s.elements as any as ElementSetImpl;
+ if (set.__lookup3d__) return set.__lookup3d__;
+ set.__lookup3d__ = ElementSetLookup3D.create(s);
+ return set.__lookup3d__;
+}
+
/** When adding groups, compare them to existing ones. If they all match, return the whole original set. */
class ChildGenerator {
private keys: number[] = [];
diff --git a/src/mol-model/structure/structure/element/set.ts b/src/mol-model/structure/structure/element/set.ts
index 0ecb481cd92560f156c9155ff75768de1403aabc..dddebe8bfd28b73505e0c93d18840a68087d83d4 100644
--- a/src/mol-model/structure/structure/element/set.ts
+++ b/src/mol-model/structure/structure/element/set.ts
@@ -9,26 +9,32 @@ import Element from '../element'
import ElementGroup from './group'
import * as Impl from './impl/set'
import * as Builders from './impl/set-builder'
+import { ElementSetLookup3D } from '../util/lookup3d';
+import Structure from '../structure';
-/** A map-like representation of grouped atom set */
+/**
+ * A map-like representation of grouped atom set
+ *
+ * Essentially corresponds to the type { [unitId: number]: ElementGroup }.
+ */
namespace ElementSet {
export const Empty: ElementSet = Impl.Empty as any;
export const ofAtoms: (elements: ArrayLike<Element>, template: ElementSet) => ElementSet = Impl.ofElements as any;
export const singleton: (element: Element, template: ElementSet) => ElementSet = Impl.singleton as any;
- export const unitCount: (set: ElementSet) => number = Impl.keyCount as any;
- export const unitIds: (set: ElementSet) => SortedArray = Impl.getKeys as any;
- export const unitHas: (set: ElementSet, id: number) => boolean = Impl.hasKey as any;
- export const unitGetId: (set: ElementSet, i: number) => number = Impl.getKey as any;
+ export const unitIndices: (set: ElementSet) => SortedArray = Impl.getKeys as any;
+ export const unitHas: (set: ElementSet, index: number) => boolean = Impl.hasKey as any;
- export const unitGetById: (set: ElementSet, key: number) => ElementGroup = Impl.getByKey as any;
- export const unitGetByIndex: (set: ElementSet, i: number) => ElementGroup = Impl.getByIndex as any;
+ export const groupCount: (set: ElementSet) => number = Impl.keyCount as any;
+ export const groupUnitIndex: (set: ElementSet, index: number) => number = Impl.getKey as any;
+ export const groupFromUnitIndex: (set: ElementSet, unitId: number) => ElementGroup = Impl.getByKey as any;
+ export const groupAt: (set: ElementSet, index: number) => ElementGroup = Impl.getByIndex as any;
export const elementCount: (set: ElementSet) => number = Impl.size as any;
export const elementHas: (set: ElementSet, x: Element) => boolean = Impl.hasAtom as any;
export const elementIndexOf: (set: ElementSet, x: Element) => number = Impl.indexOf as any;
- export const elementGetAt: (set: ElementSet, i: number) => Element = Impl.getAt as any;
+ export const elementAt: (set: ElementSet, i: number) => Element = Impl.getAt as any;
export const elements: (set: ElementSet) => Iterator<Element> = Impl.values as any;
export const hashCode: (set: ElementSet) => number = Impl.hashCode as any;
@@ -49,12 +55,13 @@ namespace ElementSet {
export interface TemplateGenerator { add(unit: number, set: OrderedSet): void, getSet(): ElementSet }
export const TemplateGenerator: (template: ElementSet) => TemplateGenerator = Impl.TemplateGenerator as any
- // TODO: bounding sphere
+ export const getLookup3d: (s: Structure) => ElementSetLookup3D = Impl.getLookup3d;
+
// TODO: distance, areWithIn?
// TODO: check connected
// TODO: add "parent" property? how to avoid using too much memory? Transitive parents? Parent unlinking?
}
-interface ElementSet { '@type': 'element-set' | Element['@type'] }
+interface ElementSet { '@type': 'element-set' }
export default ElementSet
\ No newline at end of file
diff --git a/src/mol-model/structure/structure/structure.ts b/src/mol-model/structure/structure/structure.ts
index 5dbcd62ec20c11c7be36c782638bb13a5d70d544..710926b6138c69d9e2b85a8b3823fd32cee9e348 100644
--- a/src/mol-model/structure/structure/structure.ts
+++ b/src/mol-model/structure/structure/structure.ts
@@ -12,15 +12,12 @@ import Unit from './unit'
import ElementSet from './element/set'
import ElementGroup from './element/group'
import Element from './element'
-import { StructureLookup3D } from './util/lookup3d';
// A structure is a pair of "units" and an element set.
// Each unit contains the data and transformation of its corresponding elements.
interface Structure {
readonly units: ReadonlyArray<Unit>,
- readonly elements: ElementSet,
-
- __lookup3d__?: StructureLookup3D
+ readonly elements: ElementSet
}
namespace Structure {
@@ -77,7 +74,7 @@ namespace Structure {
export function getModels(s: Structure) {
const { units, elements } = s;
const arr = UniqueArray.create<Model['id'], Model>();
- const ids = ElementSet.unitIds(elements);
+ const ids = ElementSet.unitIndices(elements);
for (let i = 0; i < ids.length; i++) {
const u = units[ids[i]];
UniqueArray.add(arr, u.model.id, u.model);
@@ -86,9 +83,7 @@ namespace Structure {
}
export function getLookup3d(s: Structure) {
- if (s.__lookup3d__) return s.__lookup3d__;
- s.__lookup3d__ = StructureLookup3D.create(s);
- return s.__lookup3d__;
+ return ElementSet.getLookup3d(s);
}
export function getBoundary(s: Structure) {
diff --git a/src/mol-model/structure/structure/symmetry.ts b/src/mol-model/structure/structure/symmetry.ts
index a60f07e6257cb38e1be73a3abe44d34eb5125019..7fe2fb2bb874e1402537df5ec312c3df5677e5ed 100644
--- a/src/mol-model/structure/structure/symmetry.ts
+++ b/src/mol-model/structure/structure/symmetry.ts
@@ -32,12 +32,12 @@ function buildAssemblyImpl(structure: Structure, name: string) {
if (Selection.structureCount(selection) === 0) continue;
const { units, elements } = Selection.unionStructure(selection);
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
for (const oper of g.operators) {
for (let uI = 0, _uI = unitIds.length; uI < _uI; uI++) {
const unit = units[unitIds[uI]];
- assembler.add(Unit.withOperator(unit, oper), ElementSet.unitGetByIndex(elements, uI));
+ assembler.add(Unit.withOperator(unit, oper), ElementSet.groupAt(elements, uI));
}
}
}
diff --git a/src/mol-model/structure/structure/util/boundary.ts b/src/mol-model/structure/structure/util/boundary.ts
index 83655a247c9ee8a2289b29d942bf68b7f7c2cf7b..547d3828eb2f892bcdb9b8b620cebe36fc0a0610 100644
--- a/src/mol-model/structure/structure/util/boundary.ts
+++ b/src/mol-model/structure/structure/util/boundary.ts
@@ -20,9 +20,9 @@ function computeStructureBoundary(s: Structure): { box: Box3D, sphere: Sphere3D
let radiusSq = 0;
let size = 0;
- for (let i = 0, _i = ElementSet.unitCount(elements); i < _i; i++) {
- const group = ElementSet.unitGetByIndex(elements, i);
- const { x, y, z } = units[ElementSet.unitGetId(elements, i)];
+ for (let i = 0, _i = ElementSet.groupCount(elements); i < _i; i++) {
+ const group = ElementSet.groupAt(elements, i);
+ const { x, y, z } = units[ElementSet.groupUnitIndex(elements, i)];
size += ElementGroup.size(group);
for (let j = 0, _j = ElementGroup.size(group); j < _j; j++) {
@@ -48,9 +48,9 @@ function computeStructureBoundary(s: Structure): { box: Box3D, sphere: Sphere3D
cz /= size;
}
- for (let i = 0, _i = ElementSet.unitCount(elements); i < _i; i++) {
- const group = ElementSet.unitGetByIndex(elements, i);
- const { x, y, z } = units[ElementSet.unitGetId(elements, i)];
+ for (let i = 0, _i = ElementSet.groupCount(elements); i < _i; i++) {
+ const group = ElementSet.groupAt(elements, i);
+ const { x, y, z } = units[ElementSet.groupUnitIndex(elements, i)];
size += ElementGroup.size(group);
for (let j = 0, _j = ElementGroup.size(group); j < _j; j++) {
diff --git a/src/mol-model/structure/structure/util/lookup3d.ts b/src/mol-model/structure/structure/util/lookup3d.ts
index cd15fa37297207e6bfbd0fcf38069256ba69e812..bb7230600205a39c78beeff7ac044b2d99a95d8d 100644
--- a/src/mol-model/structure/structure/util/lookup3d.ts
+++ b/src/mol-model/structure/structure/util/lookup3d.ts
@@ -12,10 +12,10 @@ import { Vec3 } from 'mol-math/linear-algebra';
import { OrderedSet } from 'mol-data/int';
import { computeStructureBoundary } from './boundary';
-interface StructureLookup3D extends Lookup3D<Element> {}
+interface ElementSetLookup3D extends Lookup3D<Element> {}
-namespace StructureLookup3D {
- class Impl implements StructureLookup3D {
+namespace ElementSetLookup3D {
+ class Impl implements ElementSetLookup3D {
private unitLookup: Lookup3D;
private result = Result.create<Element>();
private pivot = Vec3.zero();
@@ -28,8 +28,8 @@ namespace StructureLookup3D {
for (let t = 0, _t = closeUnits.count; t < _t; t++) {
const i = closeUnits.indices[t];
- const unitId = ElementSet.unitGetId(elements, i);
- const group = ElementSet.unitGetByIndex(elements, i);
+ const unitId = ElementSet.groupUnitIndex(elements, i);
+ const group = ElementSet.groupAt(elements, i);
const unit = units[unitId];
Vec3.set(this.pivot, x, y, z);
if (!unit.operator.isIdentity) {
@@ -52,8 +52,8 @@ namespace StructureLookup3D {
for (let t = 0, _t = closeUnits.count; t < _t; t++) {
const i = closeUnits.indices[t];
- const unitId = ElementSet.unitGetId(elements, i);
- const group = ElementSet.unitGetByIndex(elements, i);
+ const unitId = ElementSet.groupUnitIndex(elements, i);
+ const group = ElementSet.groupAt(elements, i);
const unit = units[unitId];
Vec3.set(this.pivot, x, y, z);
if (!unit.operator.isIdentity) {
@@ -70,7 +70,7 @@ namespace StructureLookup3D {
constructor(private structure: Structure) {
const { units, elements } = structure;
- const unitCount = ElementSet.unitCount(elements);
+ const unitCount = ElementSet.groupCount(elements);
const xs = new Float32Array(unitCount);
const ys = new Float32Array(unitCount);
const zs = new Float32Array(unitCount);
@@ -78,8 +78,8 @@ namespace StructureLookup3D {
const center = Vec3.zero();
for (let i = 0; i < unitCount; i++) {
- const group = ElementSet.unitGetByIndex(elements, i);
- const unit = units[ElementSet.unitGetId(elements, i)];
+ const group = ElementSet.groupAt(elements, i);
+ const unit = units[ElementSet.groupUnitIndex(elements, i)];
const lookup = Unit.getLookup3d(unit, group);
const s = lookup.boundary.sphere;
@@ -96,9 +96,9 @@ namespace StructureLookup3D {
}
}
- export function create(s: Structure): StructureLookup3D {
+ export function create(s: Structure): ElementSetLookup3D {
return new Impl(s);
}
}
-export { StructureLookup3D }
\ No newline at end of file
+export { ElementSetLookup3D }
\ No newline at end of file
diff --git a/src/perf-tests/structure.ts b/src/perf-tests/structure.ts
index ffc9e3ab6e0cc9fe9e027aa77fa30c7d546baa30..57a23cec6d93ba453392cf2c4bdb2fb1feb29f3c 100644
--- a/src/perf-tests/structure.ts
+++ b/src/perf-tests/structure.ts
@@ -120,14 +120,14 @@ export namespace PropertyAccess {
function sumProperty(structure: Structure, p: Element.Property<number>) {
const { elements, units } = structure;
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
const l = Element.Location();
let s = 0;
for (let i = 0, _i = unitIds.length; i < _i; i++) {
l.unit = units[unitIds[i]];
- const set = ElementSet.unitGetByIndex(elements, i);
+ const set = ElementSet.groupAt(elements, i);
for (let j = 0, _j = ElementGroup.size(set); j < _j; j++) {
@@ -141,7 +141,7 @@ export namespace PropertyAccess {
function sumPropertySegmented(structure: Structure, p: Element.Property<number>) {
const { elements, units } = structure;
- const unitIds = ElementSet.unitIds(elements);
+ const unitIds = ElementSet.unitIndices(elements);
const l = Element.Location();
let s = 0;
@@ -150,7 +150,7 @@ export namespace PropertyAccess {
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unit = units[unitIds[i]];
l.unit = unit;
- const set = ElementSet.unitGetByIndex(elements, i);
+ const set = ElementSet.groupAt(elements, i);
const chainsIt = Segmentation.transientSegments(unit.hierarchy.chainSegments, set.elements);
const residues = unit.hierarchy.residueSegments;
@@ -312,9 +312,9 @@ export namespace PropertyAccess {
(a, b) => a.unit.model.id === b.unit.model.id && (a.group.key === b.group.key && OrderedSet.areEqual(a.group.elements, b.group.elements))
);
- for (let i = 0, _i = ElementSet.unitCount(elements); i < _i; i++) {
- const group = ElementSet.unitGetByIndex(elements, i);
- const unitId = ElementSet.unitGetId(elements, i);
+ for (let i = 0, _i = ElementSet.groupCount(elements); i < _i; i++) {
+ const group = ElementSet.groupAt(elements, i);
+ const unitId = ElementSet.groupUnitIndex(elements, i);
uniqueGroups.add(unitId, { unit: units[unitId], group });
}