From b02eff36e31f6964151411d7f7008e25b7347118 Mon Sep 17 00:00:00 2001
From: Alexander Rose <alex.rose@rcsb.org>
Date: Wed, 30 Jan 2019 14:00:27 -0800
Subject: [PATCH] added SetUtils namespace for mol-util/set
---
src/apps/chem-comp-bond/create-table.ts | 4 +-
src/mol-canvas3d/canvas3d.ts | 2 +-
.../structure/export/categories/utils.ts | 4 +-
.../structure/query/queries/filters.ts | 4 +-
src/mol-script/runtime/query/table.ts | 4 +-
src/mol-util/set.ts | 99 ++++++++++---------
6 files changed, 64 insertions(+), 53 deletions(-)
diff --git a/src/apps/chem-comp-bond/create-table.ts b/src/apps/chem-comp-bond/create-table.ts
index c30bc04b2..28dc5000f 100644
--- a/src/apps/chem-comp-bond/create-table.ts
+++ b/src/apps/chem-comp-bond/create-table.ts
@@ -19,7 +19,7 @@ import { Database, Table, DatabaseCollection, Column } from 'mol-data/db'
import CIF from 'mol-io/reader/cif'
import { CifWriter } from 'mol-io/writer/cif'
import { CCD_Schema } from 'mol-io/reader/cif/schema/ccd'
-import { difference } from 'mol-util/set'
+import { SetUtils } from 'mol-util/set'
import { DefaultMap } from 'mol-util/map'
export async function ensureAvailable(path: string, url: string) {
@@ -130,7 +130,7 @@ function checkAddingBondsFromPVCD(pvcd: DatabaseCollection<CCD_Schema>) {
for (let i = 0, il = parentIds.length; i < il; ++i) {
const entryBonds = addChemCompBondToSet(new Set<string>(), chem_comp_bond)
const entryAtoms = addChemCompAtomToSet(new Set<string>(), chem_comp_atom)
- const extraBonds = difference(ccbSetByParent.get(parentIds[i])!, entryBonds)
+ const extraBonds = SetUtils.difference(ccbSetByParent.get(parentIds[i])!, entryBonds)
extraBonds.forEach(bk => {
const [a1, a2] = bk.split('|')
if (entryAtoms.has(a1) && entryAtoms.has(a2)) {
diff --git a/src/mol-canvas3d/canvas3d.ts b/src/mol-canvas3d/canvas3d.ts
index 814503272..60b32ca19 100644
--- a/src/mol-canvas3d/canvas3d.ts
+++ b/src/mol-canvas3d/canvas3d.ts
@@ -9,7 +9,7 @@ import { now } from 'mol-util/now';
import { Vec3 } from 'mol-math/linear-algebra'
import InputObserver from 'mol-util/input/input-observer'
-import * as SetUtils from 'mol-util/set'
+import { SetUtils } from 'mol-util/set'
import Renderer, { RendererStats } from 'mol-gl/renderer'
import { RenderObject } from 'mol-gl/render-object'
diff --git a/src/mol-model/structure/export/categories/utils.ts b/src/mol-model/structure/export/categories/utils.ts
index d0a63367f..17869c5f1 100644
--- a/src/mol-model/structure/export/categories/utils.ts
+++ b/src/mol-model/structure/export/categories/utils.ts
@@ -5,7 +5,7 @@
*/
import { mmCIF_Database, mmCIF_Schema } from 'mol-io/reader/cif/schema/mmcif';
-import { unionMany } from 'mol-util/set';
+import { SetUtils } from 'mol-util/set';
import { Model } from '../../model';
import { Structure } from '../../structure';
import { EntityIndex } from '../../model/indexing';
@@ -20,7 +20,7 @@ export function getModelMmCifCategory<K extends keyof mmCIF_Schema>(model: Model
}
export function getUniqueResidueNamesFromStructures(structures: Structure[]) {
- return unionMany(structures.map(s => s.uniqueResidueNames));
+ return SetUtils.unionMany(structures.map(s => s.uniqueResidueNames));
}
export function getUniqueEntityIdsFromStructures(structures: Structure[]): Set<string> {
diff --git a/src/mol-model/structure/query/queries/filters.ts b/src/mol-model/structure/query/queries/filters.ts
index 94aad107e..a64cffc38 100644
--- a/src/mol-model/structure/query/queries/filters.ts
+++ b/src/mol-model/structure/query/queries/filters.ts
@@ -4,7 +4,7 @@
* @author David Sehnal <david.sehnal@gmail.com>
*/
-import { isSuperset } from 'mol-util/set';
+import { SetUtils } from 'mol-util/set';
import { Unit } from '../../structure';
import { QueryContext, QueryFn, QueryPredicate } from '../context';
import { StructureQuery } from '../query';
@@ -82,7 +82,7 @@ export function withSameAtomProperties(query: StructureQuery, propertySource: St
StructureSelection.forEach(sel, (s, i) => {
ctx.currentStructure = s;
const currentProps = getCurrentStructureProperties(ctx, props, new Set());
- if (isSuperset(currentProps, propSet)) {
+ if (SetUtils.isSuperset(currentProps, propSet)) {
ret.add(s);
}
diff --git a/src/mol-script/runtime/query/table.ts b/src/mol-script/runtime/query/table.ts
index 9782aeb13..6a4d2be3f 100644
--- a/src/mol-script/runtime/query/table.ts
+++ b/src/mol-script/runtime/query/table.ts
@@ -8,7 +8,7 @@ import { MolScriptSymbolTable as MolScript } from '../../language/symbol-table';
import { DefaultQueryRuntimeTable, QuerySymbolRuntime, QueryRuntimeArguments } from './compiler';
import { Queries, StructureProperties, StructureElement, QueryContext } from 'mol-model/structure';
import { ElementSymbol } from 'mol-model/structure/model/types';
-import { isSuperset } from 'mol-util/set';
+import { SetUtils } from 'mol-util/set';
import toUpperCase from 'mol-util/upper-case';
import { VdwRadius, AtomWeight, AtomNumber } from 'mol-model/structure/model/properties/atomic';
import { cantorPairing } from 'mol-data/util';
@@ -150,7 +150,7 @@ const symbols = [
// ============= SET ================
C(MolScript.core.set.has, (ctx, v) => v[0](ctx).has(v[1](ctx))),
- C(MolScript.core.set.isSubset, (ctx, v) => isSuperset(v[1](ctx) as Set<any>, v[0](ctx) as Set<any>)),
+ C(MolScript.core.set.isSubset, (ctx, v) => SetUtils.isSuperset(v[1](ctx) as Set<any>, v[0](ctx) as Set<any>)),
// ============= FLAGS ================
C(MolScript.core.flags.hasAny, (ctx, v) => {
diff --git a/src/mol-util/set.ts b/src/mol-util/set.ts
index 7bc7e10d4..34a79112f 100644
--- a/src/mol-util/set.ts
+++ b/src/mol-util/set.ts
@@ -6,52 +6,63 @@
// TODO remove Array.from workaround when targeting ES6
-/** Test if set a contains all elements of set b. */
-export function isSuperset<T>(setA: Set<T>, setB: Set<T>) {
- for (const elm of Array.from(setB)) {
- if (!setA.has(elm)) return false;
+export namespace SetUtils {
+ /** Test if set a contains all elements of set b. */
+ export function isSuperset<T>(setA: Set<T>, setB: Set<T>) {
+ for (const elm of Array.from(setB)) {
+ if (!setA.has(elm)) return false;
+ }
+ return true;
}
- return true;
-}
-
-/** Create set containing elements of both set a and set b. */
-export function union<T>(setA: Set<T>, setB: Set<T>): Set<T> {
- const union = new Set(setA);
- for (const elem of Array.from(setB)) union.add(elem);
- return union;
-}
-
-export function unionMany<T>(sets: Set<T>[]) {
- if (sets.length === 0) return new Set<T>();
- if (sets.length === 1) return sets[0];
- const union = new Set(sets[0]);
- for (let i = 1; i < sets.length; i++) {
- for (const elem of Array.from(sets[i])) union.add(elem);
+
+ /** Create set containing elements of both set a and set b. */
+ export function union<T>(setA: Set<T>, setB: Set<T>): Set<T> {
+ const union = new Set(setA);
+ for (const elem of Array.from(setB)) union.add(elem);
+ return union;
}
- return union;
-}
-
-export function unionManyArrays<T>(arrays: T[][]) {
- if (arrays.length === 0) return new Set<T>();
- const union = new Set(arrays[0]);
- for (let i = 1; i < arrays.length; i++) {
- for (const elem of arrays[i]) union.add(elem);
+
+ export function unionMany<T>(sets: Set<T>[]) {
+ if (sets.length === 0) return new Set<T>();
+ if (sets.length === 1) return sets[0];
+ const union = new Set(sets[0]);
+ for (let i = 1; i < sets.length; i++) {
+ for (const elem of Array.from(sets[i])) union.add(elem);
+ }
+ return union;
}
- return union;
-}
-
-/** Create set containing elements of set a that are also in set b. */
-export function intersection<T>(setA: Set<T>, setB: Set<T>): Set<T> {
- const intersection = new Set();
- for (const elem of Array.from(setB)) {
- if (setA.has(elem)) intersection.add(elem);
+
+ export function unionManyArrays<T>(arrays: T[][]) {
+ if (arrays.length === 0) return new Set<T>();
+ const union = new Set(arrays[0]);
+ for (let i = 1; i < arrays.length; i++) {
+ for (const elem of arrays[i]) union.add(elem);
+ }
+ return union;
+ }
+
+ /** Create set containing elements of set a that are also in set b. */
+ export function intersection<T>(setA: Set<T>, setB: Set<T>): Set<T> {
+ const intersection = new Set();
+ for (const elem of Array.from(setB)) {
+ if (setA.has(elem)) intersection.add(elem);
+ }
+ return intersection;
+ }
+
+ /** Create set containing elements of set a that are not in set b. */
+ export function difference<T>(setA: Set<T>, setB: Set<T>): Set<T> {
+ const difference = new Set(setA);
+ for (const elem of Array.from(setB)) difference.delete(elem);
+ return difference;
+ }
+
+ /** Test if set a and b contain the same elements. */
+ export function areEqual<T>(setA: Set<T>, setB: Set<T>) {
+ if (setA.size !== setB.size) return false
+ for (const elm of Array.from(setB)) {
+ if (!setA.has(elm)) return false;
+ }
+ return true;
}
- return intersection;
-}
-
-/** Create set containing elements of set a that are not in set b. */
-export function difference<T>(setA: Set<T>, setB: Set<T>): Set<T> {
- const difference = new Set(setA);
- for (const elem of Array.from(setB)) difference.delete(elem);
- return difference;
}
\ No newline at end of file
--
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