diff --git a/src/mol-model/structure/query/generators.ts b/src/mol-model/structure/query/generators.ts
index e8d8ab6469692124e43ac8eaf7a846b612e4ac2f..305488104df685fbfc81f9779cc712d0970e7bc2 100644
--- a/src/mol-model/structure/query/generators.ts
+++ b/src/mol-model/structure/query/generators.ts
@@ -45,7 +45,7 @@ function atomGroupsLinear(atomTest: Atom.Predicate): Query {
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unitId = unitIds[i];
- l.unit = units.get(unitId);
+ l.unit = units[unitId];
const set = AtomSet.unitGetByIndex(atoms, i);
builder.beginUnit();
@@ -69,7 +69,7 @@ function atomGroupsSegmented({ entityTest, chainTest, residueTest, atomTest }: A
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unitId = unitIds[i];
- const unit = units.get(unitId);
+ const unit = units[unitId];
l.unit = unit;
const set = AtomSet.unitGetByIndex(atoms, i);
@@ -160,7 +160,7 @@ function atomGroupsGrouped({ entityTest, chainTest, residueTest, atomTest, group
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unitId = unitIds[i];
- const unit = units.get(unitId);
+ const unit = units[unitId];
l.unit = unit;
const set = AtomSet.unitGetByIndex(atoms, i);
diff --git a/src/mol-model/structure/query/selection.ts b/src/mol-model/structure/query/selection.ts
index 54eef86038f21229801286ba6dd8c5628b808758..3f568b501a55d72bdf4d17bca5e2a2789e2a3552 100644
--- a/src/mol-model/structure/query/selection.ts
+++ b/src/mol-model/structure/query/selection.ts
@@ -6,7 +6,6 @@
import Iterator from 'mol-data/iterator'
import { HashSet } from 'mol-data/util'
-import { IntMap } from 'mol-data/int'
import { Structure, Atom, AtomSet } from '../structure'
type Selection =
@@ -116,19 +115,20 @@ namespace Selection {
export default Selection
function unionUnits(xs: Structure[]): Structure['units'] {
- let prev = xs[0].units;
- let sameUnits = true;
- for (let i = 1, _i = xs.length; i < _i; i++) {
- if (xs[i].units !== prev) sameUnits = false;
- }
- if (sameUnits) return prev;
-
- const ret = IntMap.copy(prev);
- for (let i = 1, _i = xs.length; i < _i; i++) {
- const units = xs[i].units;
- if (units !== prev) IntMap.addFrom(ret, units);
- prev = units;
- }
-
- return ret;
+ return xs[0].units;
+// let prev = xs[0].units;
+ // let sameUnits = true;
+ // for (let i = 1, _i = xs.length; i < _i; i++) {
+ // if (xs[i].units !== prev) sameUnits = false;
+ // }
+ // if (sameUnits) return prev;
+
+ // const ret = [...prev];
+ // for (let i = 1, _i = xs.length; i < _i; i++) {
+ // const units = xs[i].units;
+ // if (units !== prev) IntMap.addFrom(ret, units);
+ // prev = units;
+ // }
+
+ //return ret;
}
diff --git a/src/mol-model/structure/structure/atom.ts b/src/mol-model/structure/structure/atom.ts
index 55a88dcb633af95e0242d38dae0750397e6c708a..217bbb1eb581c5d869c3c91f70d100e8c598fa8f 100644
--- a/src/mol-model/structure/structure/atom.ts
+++ b/src/mol-model/structure/structure/atom.ts
@@ -29,7 +29,7 @@ namespace Atom {
export interface Predicate extends Property<boolean> { }
export function updateLocation(structure: Structure, l: Location, atom: Atom) {
- l.unit = structure.units.get(unit(atom));
+ l.unit = structure.units[unit(atom)];
l.atom = index(atom);
return l;
}
diff --git a/src/mol-model/structure/structure/structure.ts b/src/mol-model/structure/structure/structure.ts
index da8546c2cf24c4d8d6ec76ac2cdc9d0bd60cd88e..77c37e9ad366fa983db1f3290fd1560d786bc3ce 100644
--- a/src/mol-model/structure/structure/structure.ts
+++ b/src/mol-model/structure/structure/structure.ts
@@ -4,7 +4,7 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
-import { OrderedSet, Iterator, IntMap } from 'mol-data/int'
+import { OrderedSet, Iterator } from 'mol-data/int'
import { UniqueArray } from 'mol-data/util'
import SymmetryOperator from 'mol-math/geometry/symmetry-operator'
import { Model, Format } from '../model'
@@ -15,14 +15,14 @@ import Atom from './atom'
interface Structure extends Readonly<{
- units: IntMap<Unit>,
+ units: Unit[],
atoms: AtomSet
}> { }
namespace Structure {
- export const Empty: Structure = { units: IntMap.Empty, atoms: AtomSet.Empty };
+ export const Empty: Structure = { units: [], atoms: AtomSet.Empty };
- export function create(units: IntMap<Unit>, atoms: AtomSet): Structure {
+ export function create(units: Unit[], atoms: AtomSet): Structure {
return { units, atoms };
}
@@ -54,12 +54,12 @@ namespace Structure {
class BuilderImpl implements Builder {
private _unitId = 0;
- private units = IntMap.Mutable<Unit>();
+ private units: Unit[] = [];
private atoms = AtomSet.Generator();
atomCount = 0;
add(unit: Unit, atoms: OrderedSet) { const id = this.addUnit(unit); this.setAtoms(id, atoms); }
- addUnit(unit: Unit) { const id = this._unitId++; this.units.set(id, unit); return id; }
+ addUnit(unit: Unit) { const id = this._unitId++; this.units[id] = unit; return id; }
setAtoms(unitId: number, atoms: OrderedSet) { this.atoms.add(unitId, atoms); this.atomCount += OrderedSet.size(atoms); }
getStructure(): Structure { return this.atomCount > 0 ? Structure.create(this.units, this.atoms.getSet()) : Empty; }
}
@@ -78,7 +78,7 @@ namespace Structure {
const arr = UniqueArray.create<Model['id'], Model>();
const ids = AtomSet.unitIds(atoms);
for (let i = 0; i < ids.length; i++) {
- const u = units.get(ids[i]);
+ const u = units[ids[i]];
UniqueArray.add(arr, u.model.id, u.model);
}
return arr.array;
diff --git a/src/mol-model/structure/structure/symmetry.ts b/src/mol-model/structure/structure/symmetry.ts
index a0348b6745dc02f4ba01c20542fdaa30d6cabf86..115a372b3dee129e335893f24a6dbda41eaede2a 100644
--- a/src/mol-model/structure/structure/symmetry.ts
+++ b/src/mol-model/structure/structure/symmetry.ts
@@ -34,7 +34,7 @@ function buildAssemblyImpl(structure: Structure, name: string) {
for (const oper of g.operators) {
for (let uI = 0, _uI = unitIds.length; uI < _uI; uI++) {
- const unit = units.get(unitIds[uI]);
+ const unit = units[unitIds[uI]];
assembler.add(Unit.withOperator(unit, oper), AtomSet.unitGetByIndex(atoms, uI));
}
}
diff --git a/src/perf-tests/structure.ts b/src/perf-tests/structure.ts
index 204ac9df92c9617de2cf7bb227e0d7d7d9b33208..d0f9286bcfa152dfd8dc521708c4659546d53e0a 100644
--- a/src/perf-tests/structure.ts
+++ b/src/perf-tests/structure.ts
@@ -74,7 +74,7 @@ export namespace PropertyAccess {
let s = 0;
for (let i = 0, _i = unitIds.length; i < _i; i++) {
- l.unit = units.get(unitIds[i]);
+ l.unit = units[unitIds[i]];
const set = AtomSet.unitGetByIndex(atoms, i);
@@ -96,7 +96,7 @@ export namespace PropertyAccess {
let vA = 0, cC = 0, rC = 0;
for (let i = 0, _i = unitIds.length; i < _i; i++) {
- const unit = units.get(unitIds[i]);
+ const unit = units[unitIds[i]];
l.unit = unit;
const set = AtomSet.unitGetByIndex(atoms, i);
@@ -134,7 +134,7 @@ export namespace PropertyAccess {
let s = 0;
for (let i = 0, _i = unitIds.length; i < _i; i++) {
- const unit = units.get(unitIds[i]);
+ const unit = units[unitIds[i]];
l.unit = unit;
const set = AtomSet.unitGetByIndex(atoms, i);
const residuesIt = Segmentation.transientSegments(unit.hierarchy.residueSegments, set);
@@ -155,7 +155,7 @@ export namespace PropertyAccess {
const l = Atom.Location();
while (atomsIt.hasNext) {
const a = atomsIt.move();
- l.unit = units.get(Atom.unit(a));
+ l.unit = units[Atom.unit(a)];
l.atom = Atom.index(a);
s += p(l);
}
@@ -200,7 +200,7 @@ export namespace PropertyAccess {
for (let i = 0, _i = unitIds.length; i < _i; i++) {
const unitId = unitIds[i];
- const unit = units.get(unitId);
+ const unit = units[unitId];
const set = AtomSet.unitGetByIndex(atoms, i);
//const { residueIndex, chainIndex } = unit;
const p = unit.conformation.atomId.value;