diff --git a/src/mol-data/int/ordered-set.ts b/src/mol-data/int/ordered-set.ts
index 54776e79d0fe3e49aeb6582160b56ece8b447cd8..8a11562f27756055ecf407eb8a9799d4b05d751e 100644
--- a/src/mol-data/int/ordered-set.ts
+++ b/src/mol-data/int/ordered-set.ts
@@ -6,6 +6,7 @@
import * as Base from './impl/ordered-set'
import Interval from './interval'
+import SortedArray from './sorted-array';
namespace OrderedSet {
export const Empty: OrderedSet = Base.Empty as any;
@@ -41,6 +42,7 @@ namespace OrderedSet {
}
}
-interface OrderedSet { '@type': 'int-interval' | 'int-sorted-array' }
+type OrderedSet = Interval | SortedArray
+//{ '@type': 'int-interval' | 'int-sorted-array' }
export default OrderedSet
\ No newline at end of file
diff --git a/src/mol-geo/representation/structure/point.ts b/src/mol-geo/representation/structure/point.ts
index 9377973081a46f5f19adb1df1b0bbd987f56805c..9e82a77a4251357655c32174c012288c36a9113a 100644
--- a/src/mol-geo/representation/structure/point.ts
+++ b/src/mol-geo/representation/structure/point.ts
@@ -16,7 +16,7 @@ import VertexMap from '../../shape/vertex-map';
import { SizeTheme } from '../../theme';
import { createTransforms, createColors, createSizes, markElement } from './utils';
import { deepEqual, defaults } from 'mol-util';
-import { SortedArray } from 'mol-data/int';
+import { SortedArray, OrderedSet } from 'mol-data/int';
import { RenderableState, PointValues } from 'mol-gl/renderable';
import { PickingId } from '../../util/picking';
import { Loci, EmptyLoci } from 'mol-model/loci';
@@ -161,7 +161,7 @@ export default function PointUnitsRepresentation(): UnitsRepresentation<PointPro
const { objectId, instanceId, elementId } = pickingId
if (points.id === objectId) {
const unit = currentGroup.units[instanceId]
- const indices = SortedArray.ofSingleton(elementId)
+ const indices = OrderedSet.ofSingleton(elementId)
return Element.Loci([{ unit, indices }])
}
return EmptyLoci
diff --git a/src/mol-geo/representation/structure/spacefill.ts b/src/mol-geo/representation/structure/spacefill.ts
index a80d30964afe9cbc6ee714ccf02417eaa27e5a90..fe18eb7a19e58bce89ae7d705f0774abb5aee0a7 100644
--- a/src/mol-geo/representation/structure/spacefill.ts
+++ b/src/mol-geo/representation/structure/spacefill.ts
@@ -19,7 +19,7 @@ import { RenderableState, MeshValues } from 'mol-gl/renderable';
import { getMeshData } from '../../util/mesh-data';
import { Mesh } from '../../shape/mesh';
import { PickingId } from '../../util/picking';
-import { SortedArray } from 'mol-data/int';
+import { OrderedSet } from 'mol-data/int';
import { createMarkers, MarkerAction } from '../../util/marker-data';
import { Loci, EmptyLoci } from 'mol-model/loci';
@@ -149,7 +149,7 @@ export default function SpacefillUnitsRepresentation(): UnitsRepresentation<Spac
const { objectId, instanceId, elementId } = pickingId
if (spheres.id === objectId) {
const unit = currentGroup.units[instanceId]
- const indices = SortedArray.ofSingleton(elementId);
+ const indices = OrderedSet.ofSingleton(elementId);
return Element.Loci([{ unit, indices }])
}
return EmptyLoci
diff --git a/src/mol-geo/representation/structure/utils.ts b/src/mol-geo/representation/structure/utils.ts
index 8b876df1a60fabcbe855e87121eb005ad19adbe1..aee0ab24004fd22acd619627901a8e3d9e1d793f 100644
--- a/src/mol-geo/representation/structure/utils.ts
+++ b/src/mol-geo/representation/structure/utils.ts
@@ -22,6 +22,7 @@ import { MeshBuilder } from '../../shape/mesh-builder';
import { TextureImage } from 'mol-gl/renderable/util';
import { applyMarkerAction, MarkerAction } from '../../util/marker-data';
import { Loci, isEveryLoci } from 'mol-model/loci';
+import { Interval } from 'mol-data/int';
export function createTransforms({ units }: Unit.SymmetryGroup, transforms?: ValueCell<Float32Array>) {
const unitCount = units.length
@@ -101,11 +102,19 @@ export function markElement(tMarker: ValueCell<TextureImage>, group: Unit.Symmet
for (const e of loci.elements) {
const unitIdx = Unit.findUnitById(e.unit.id, group.units)
if (unitIdx !== -1) {
- for (let i = 0, il = e.indices.length; i < il; ++i) {
- const idx = unitIdx * elementCount + e.indices[i]
- if (applyMarkerAction(array, idx, idx + 1, action) && !changed) {
+ if (Interval.is(e.indices)) {
+ const idxStart = unitIdx * elementCount + Interval.start(e.indices);
+ const idxEnd = unitIdx * elementCount + Interval.end(e.indices);
+ if (applyMarkerAction(array, idxStart, idxEnd, action) && !changed) {
changed = true
}
+ } else {
+ for (let i = 0, _i = e.indices.length; i < _i; i++) {
+ const idx = unitIdx * elementCount + e.indices[i];
+ if (applyMarkerAction(array, idx, idx + 1, action) && !changed) {
+ changed = true
+ }
+ }
}
}
}
diff --git a/src/mol-model/structure/query/selection.ts b/src/mol-model/structure/query/selection.ts
index 0aaa01922dc0f82ca9626e9ba9b0d258125ec742..a68971d3c3163c4b4add017c1cd59e2c306f599e 100644
--- a/src/mol-model/structure/query/selection.ts
+++ b/src/mol-model/structure/query/selection.ts
@@ -7,7 +7,7 @@
import { HashSet } from 'mol-data/generic'
import { Structure, Element, Unit } from '../structure'
import { structureUnion } from './utils/structure';
-import { SortedArray } from 'mol-data/int';
+import { OrderedSet, SortedArray } from 'mol-data/int';
// A selection is a pair of a Structure and a sequence of unique AtomSets
type Selection = Selection.Singletons | Selection.Sequence
@@ -36,10 +36,18 @@ namespace Selection {
}
export function toLoci(sel: Selection): Element.Loci {
- const loci: { unit: Unit, indices: SortedArray }[] = [];
+ const loci: { unit: Unit, indices: OrderedSet }[] = [];
+ const { unitMap } = sel.source;
for (const unit of unionStructure(sel).units) {
- loci[loci.length] = { unit, indices: SortedArray.indicesOf(sel.source.unitMap.get(unit.id).elements, unit.elements) }
+ if (unit === unitMap.get(unit.id)) {
+ loci[loci.length] = { unit, indices: OrderedSet.ofBounds(0, unit.elements.length) };
+ } else {
+ loci[loci.length] = {
+ unit,
+ indices: OrderedSet.ofSortedArray(SortedArray.indicesOf(sel.source.unitMap.get(unit.id).elements, unit.elements))
+ };
+ }
}
return Element.Loci(loci);
diff --git a/src/mol-model/structure/structure/element.ts b/src/mol-model/structure/structure/element.ts
index bacc0c4cd72aaefa9eb1f263d3bf29b61c5349e3..845dfe7915673aadab87c1b78bdbc537b94296c9 100644
--- a/src/mol-model/structure/structure/element.ts
+++ b/src/mol-model/structure/structure/element.ts
@@ -4,7 +4,7 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
-import { Tuple, SortedArray } from 'mol-data/int'
+import { Tuple, OrderedSet } from 'mol-data/int'
import Unit from './unit'
import Structure from './structure'
@@ -55,12 +55,15 @@ namespace Element {
/** Access i-th element as unit.elements[indices[i]] */
readonly elements: ReadonlyArray<{
unit: Unit,
- /** Indices into the unit.elements array */
- indices: SortedArray
+ /**
+ * Indices into the unit.elements array.
+ * Can use OrderedSet.forEach to iterate (or OrderedSet.size + OrderedSet.getAt)
+ */
+ indices: OrderedSet
}>
}
- export function Loci(elements: ArrayLike<{ unit: Unit, indices: SortedArray }>): Loci {
+ export function Loci(elements: ArrayLike<{ unit: Unit, indices: OrderedSet }>): Loci {
return { kind: 'element-loci', elements: elements as Loci['elements'] };
}
diff --git a/src/mol-view/label.ts b/src/mol-view/label.ts
index da98fa3b7aa660d3ddbec8fc193b7068fd3a234e..aa6b01e710598b83a955f5d01529ae8e8112c1b7 100644
--- a/src/mol-view/label.ts
+++ b/src/mol-view/label.ts
@@ -7,6 +7,7 @@
import { Unit, Element, Queries } from 'mol-model/structure';
import { Loci } from 'mol-model/loci';
+import { OrderedSet } from 'mol-data/int';
const elementLocA = Element.Location()
const elementLocB = Element.Location()
@@ -20,8 +21,8 @@ export function labelFirst(loci: Loci): string {
switch (loci.kind) {
case 'element-loci':
const e = loci.elements[0]
- if (e && e.indices[0] !== undefined) {
- return elementLabel(Element.Location(e.unit, e.indices[0]))
+ if (e) {
+ return elementLabel(Element.Location(e.unit, OrderedSet.getAt(e.indices, 0)))
} else {
return 'Unknown'
}