diff --git a/src/mol-model/structure/structure/element.ts b/src/mol-model/structure/structure/element.ts
index 9a0eaee3b780e90947eb3133b40ddc4001c81cc3..47c9101f45ccaf17499d6b386adc3f61ea69a702 100644
--- a/src/mol-model/structure/structure/element.ts
+++ b/src/mol-model/structure/structure/element.ts
@@ -196,30 +196,33 @@ namespace StructureElement {
const elements: Loci['elements'][0][] = [];
for (const lociElement of loci.elements) {
- if (lociElement.unit.kind !== Unit.Kind.Atomic) elements[elements.length] = lociElement;
+ if (lociElement.unit.kind === Unit.Kind.Atomic) {
+ const unitElements = lociElement.unit.elements;
+ const h = lociElement.unit.model.atomicHierarchy;
- const unitElements = lociElement.unit.elements;
- const h = lociElement.unit.model.atomicHierarchy;
-
- const { index: residueIndex, offsets: residueOffsets } = h.residueAtomSegments;
+ const { index: residueIndex, offsets: residueOffsets } = h.residueAtomSegments;
- const newIndices: UnitIndex[] = [];
- const indices = lociElement.indices, len = OrderedSet.size(indices);
- let i = 0;
- while (i < len) {
- const rI = residueIndex[unitElements[OrderedSet.getAt(indices, i)]];
- i++;
- while (i < len && residueIndex[unitElements[OrderedSet.getAt(indices, i)]] === rI) {
+ const newIndices: UnitIndex[] = [];
+ const indices = lociElement.indices, len = OrderedSet.size(indices);
+ let i = 0;
+ while (i < len) {
+ const rI = residueIndex[unitElements[OrderedSet.getAt(indices, i)]];
i++;
+ while (i < len && residueIndex[unitElements[OrderedSet.getAt(indices, i)]] === rI) {
+ i++;
+ }
+
+ for (let j = residueOffsets[rI], _j = residueOffsets[rI + 1]; j < _j; j++) {
+ const idx = OrderedSet.indexOf(unitElements, j);
+ if (idx >= 0) newIndices[newIndices.length] = idx as UnitIndex;
+ }
}
- for (let j = residueOffsets[rI], _j = residueOffsets[rI + 1]; j < _j; j++) {
- const idx = OrderedSet.indexOf(unitElements, j);
- if (idx >= 0) newIndices[newIndices.length] = idx as UnitIndex;
- }
+ elements[elements.length] = { unit: lociElement.unit, indices: SortedArray.ofSortedArray(newIndices) };
+ } else {
+ // coarse elements are already by-residue
+ elements[elements.length] = lociElement;
}
-
- elements[elements.length] = { unit: lociElement.unit, indices: SortedArray.ofSortedArray(newIndices) };
}
return Loci(loci.structure, elements);
diff --git a/src/mol-model/structure/structure/unit/links.ts b/src/mol-model/structure/structure/unit/links.ts
index ecefe98af02b59f283ad3a0de0e146808e425053..f0d13d128a6e8f2f675a178674b8a1a22fc8c9d4 100644
--- a/src/mol-model/structure/structure/unit/links.ts
+++ b/src/mol-model/structure/structure/unit/links.ts
@@ -1,5 +1,5 @@
/**
- * Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2017-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* @author David Sehnal <david.sehnal@gmail.com>
* @author Alexander Rose <alexander.rose@weirdbyte.de>
@@ -8,6 +8,7 @@
import { Unit, StructureElement } from '../../structure'
import Structure from '../structure';
import { LinkType } from '../../model/types';
+import { SortedArray } from '../../../../mol-data/int';
export * from './links/data'
export * from './links/intra-compute'
@@ -61,6 +62,34 @@ namespace Link {
return true
}
+ // TODO
+ export function toStructureElementLoci(loci: Loci): StructureElement.Loci {
+ const elements: StructureElement.Loci['elements'][0][] = []
+ const map = new Map<number, number[]>()
+
+ for (const lociLink of loci.links) {
+ const { aIndex, aUnit, bIndex, bUnit } = lociLink
+ if (aUnit === bUnit) {
+ if (map.has(aUnit.id)) map.get(aUnit.id)!.push(aIndex, bIndex)
+ else map.set(aUnit.id, [aIndex, bIndex])
+ } else {
+ if (map.has(aUnit.id)) map.get(aUnit.id)!.push(aIndex)
+ else map.set(aUnit.id, [aIndex])
+ if (map.has(bUnit.id)) map.get(bUnit.id)!.push(bIndex)
+ else map.set(bUnit.id, [bIndex])
+ }
+ }
+
+ map.forEach((indices: number[], id: number) => {
+ elements.push({
+ unit: loci.structure.unitMap.get(id)!,
+ indices: SortedArray.deduplicate(SortedArray.ofUnsortedArray(indices))
+ })
+ })
+
+ return StructureElement.Loci(loci.structure, elements);
+ }
+
export function getType(structure: Structure, link: Location<Unit.Atomic>): LinkType {
if (link.aUnit === link.bUnit) {
const links = link.aUnit.links;
diff --git a/src/mol-plugin/util/interactivity.ts b/src/mol-plugin/util/interactivity.ts
index a334354816865b80f5b40c9832d383b4d128feb1..4b32e676df50e605ff1ec7d683bd06de4dccaa2c 100644
--- a/src/mol-plugin/util/interactivity.ts
+++ b/src/mol-plugin/util/interactivity.ts
@@ -8,7 +8,7 @@
import { Loci as ModelLoci, EmptyLoci } from '../../mol-model/loci';
import { ModifiersKeys, ButtonsType } from '../../mol-util/input/input-observer';
import { Representation } from '../../mol-repr/representation';
-import { StructureElement } from '../../mol-model/structure';
+import { StructureElement, Link } from '../../mol-model/structure';
import { MarkerAction } from '../../mol-util/marker-action';
import { StructureElementSelectionManager } from './structure-element-selection';
import { PluginContext } from '../context';
@@ -90,8 +90,13 @@ namespace Interactivity {
// TODO clear, then re-apply remaining providers
}
- expandLoci(loci: ModelLoci) {
- return LociExpansion[this.props.lociExpansion](loci)
+ normalizedLoci(interactivityLoci: Loci) {
+ let { loci, repr } = interactivityLoci
+ if (this.props.lociExpansion !== 'none' && Link.isLoci(loci)) {
+ loci = Link.toStructureElementLoci(loci)
+ }
+ loci = LociExpansion[this.props.lociExpansion](loci)
+ return { loci, repr }
}
protected mark(current: Loci<ModelLoci>, action: MarkerAction) {
@@ -111,22 +116,23 @@ namespace Interactivity {
apply(e: HighlightEvent) {
const { current, modifiers } = e
- const expanded: Loci<ModelLoci> = { loci: this.expandLoci(current.loci), repr: current.repr }
- if (StructureElement.isLoci(expanded.loci)) {
- let loci: StructureElement.Loci = expanded.loci;
+
+ const normalized: Loci<ModelLoci> = this.normalizedLoci(current)
+ if (StructureElement.isLoci(normalized.loci)) {
+ let loci: StructureElement.Loci = normalized.loci;
if (modifiers && modifiers.shift) {
loci = this.sel.tryGetRange(loci) || loci;
}
this.mark(this.prev, MarkerAction.RemoveHighlight);
- const toHighlight = { loci, repr: expanded.repr };
+ const toHighlight = { loci, repr: normalized.repr };
this.mark(toHighlight, MarkerAction.Highlight);
this.prev = toHighlight;
} else {
- if (!Loci.areEqual(this.prev, expanded)) {
+ if (!Loci.areEqual(this.prev, normalized)) {
this.mark(this.prev, MarkerAction.RemoveHighlight);
- this.mark(expanded, MarkerAction.Highlight);
- this.prev = expanded;
+ this.mark(normalized, MarkerAction.Highlight);
+ this.prev = normalized;
}
}
}
@@ -150,34 +156,34 @@ namespace Interactivity {
apply(e: ClickEvent) {
const { current, buttons, modifiers } = e
- const expanded: Loci<ModelLoci> = { loci: this.expandLoci(current.loci), repr: current.repr }
- if (expanded.loci.kind === 'empty-loci') {
+ const normalized: Loci<ModelLoci> = this.normalizedLoci(current)
+ if (normalized.loci.kind === 'empty-loci') {
if (modifiers.control && buttons === ButtonsType.Flag.Secondary) {
// clear the selection on Ctrl + Right-Click on empty
const sels = this.sel.clear();
for (const s of sels) this.mark({ loci: s }, MarkerAction.Deselect);
}
- } else if (StructureElement.isLoci(expanded.loci)) {
+ } else if (StructureElement.isLoci(normalized.loci)) {
if (modifiers.control && buttons === ButtonsType.Flag.Secondary) {
// select only the current element on Ctrl + Right-Click
- const old = this.sel.get(expanded.loci.structure);
+ const old = this.sel.get(normalized.loci.structure);
this.mark({ loci: old }, MarkerAction.Deselect);
- this.sel.set(expanded.loci);
- this.mark(expanded, MarkerAction.Select);
+ this.sel.set(normalized.loci);
+ this.mark(normalized, MarkerAction.Select);
} else if (modifiers.control && buttons === ButtonsType.Flag.Primary) {
// toggle current element on Ctrl + Left-Click
- this.toggleSel(expanded as Representation.Loci<StructureElement.Loci>);
+ this.toggleSel(normalized as Representation.Loci<StructureElement.Loci>);
} else if (modifiers.shift && buttons === ButtonsType.Flag.Primary) {
// try to extend sequence on Shift + Left-Click
- let loci: StructureElement.Loci = expanded.loci;
+ let loci: StructureElement.Loci = normalized.loci;
if (modifiers && modifiers.shift) {
loci = this.sel.tryGetRange(loci) || loci;
}
- this.toggleSel({ loci, repr: expanded.repr });
+ this.toggleSel({ loci, repr: normalized.repr });
}
} else {
if (!ButtonsType.has(buttons, ButtonsType.Flag.Secondary)) return;
- for (let p of this.providers) p(expanded, MarkerAction.Toggle);
+ for (let p of this.providers) p(normalized, MarkerAction.Toggle);
}
}