From ecb0f8c4a331793a7dbe037eb5b8baf3e38c7008 Mon Sep 17 00:00:00 2001
From: David Sehnal <david.sehnal@gmail.com>
Date: Mon, 30 Oct 2017 22:37:10 +0100
Subject: [PATCH] tables and data model
---
src/mol-base/collections/_spec/table.spec.ts | 7 ++++---
src/mol-base/collections/table.ts | 9 +++++++--
src/mol-data/model.ts | 4 ++--
.../properties/{hierarchy.ts => macromolecule-tree.ts} | 4 ++--
4 files changed, 15 insertions(+), 9 deletions(-)
rename src/mol-data/model/properties/{hierarchy.ts => macromolecule-tree.ts} (95%)
diff --git a/src/mol-base/collections/_spec/table.spec.ts b/src/mol-base/collections/_spec/table.spec.ts
index 35eaacb85..81d1733cc 100644
--- a/src/mol-base/collections/_spec/table.spec.ts
+++ b/src/mol-base/collections/_spec/table.spec.ts
@@ -83,11 +83,12 @@ describe('table', () => {
x: Column.ofArray({ array: [10, -1], type: Column.Type.int }),
n: Column.ofArray({ array: ['row1', 'row2'], type: Column.Type.str }),
});
- const s = { x: Column.Type.int };
- const picked = Table.pickColumns(s, t);
- expect(picked._columns).toEqual(['x']);
+ const s = { x: Column.Type.int, y: Column.Type.int };
+ const picked = Table.pickColumns(s, t, { y: Column.ofArray({ array: [3, 4], type: Column.Type.int })});
+ expect(picked._columns).toEqual(['x', 'y']);
expect(picked._rowCount).toEqual(2);
expect(picked.x.toArray()).toEqual([10, -1]);
+ expect(picked.y.toArray()).toEqual([3, 4]);
});
it('sort', () => {
diff --git a/src/mol-base/collections/table.ts b/src/mol-base/collections/table.ts
index a7f7aed5a..087edc66b 100644
--- a/src/mol-base/collections/table.ts
+++ b/src/mol-base/collections/table.ts
@@ -15,13 +15,18 @@ namespace Table {
export type Columns<S extends Schema> = { [C in keyof S]: Column<S[C]['T']> }
export type Row<S extends Schema> = { [C in keyof S]: S[C]['T'] }
export type Arrays<S extends Schema> = { [C in keyof S]: ArrayLike<S[C]['T']> }
+ export type PartialTable<S extends Table.Schema> = { readonly _rowCount: number, readonly _columns: ReadonlyArray<string> } & { [C in keyof S]?: Column<S[C]['T']> }
- export function pickColumns<S extends Schema, T extends S>(schema: S, table: Table<T>): Table<S> {
+ export function pickColumns<S extends Schema>(schema: S, table: PartialTable<S>, guard: Partial<Columns<S>> = {}): Table<S> {
const ret = Object.create(null);
const keys = Object.keys(schema);
ret._rowCount = table._rowCount;
ret._columns = keys;
- for (const k of keys) ret[k] = table[k];
+ for (const k of keys) {
+ if (!!table[k]) ret[k] = table[k];
+ else if (!!guard[k]) ret[k] = guard[k];
+ else throw Error(`Cannot find column '${k}'.`);
+ }
return ret;
}
diff --git a/src/mol-data/model.ts b/src/mol-data/model.ts
index 3572e7618..a9e450a0a 100644
--- a/src/mol-data/model.ts
+++ b/src/mol-data/model.ts
@@ -6,7 +6,7 @@
import * as Formats from './model/formats'
//import CommonProperties from './model/properties/common'
-import HierarchyProperties from './model/properties/hierarchy'
+import MacromoleculeTree from './model/properties/macromolecule-tree'
import Conformation from './model/properties/conformation'
import Segmentation from '../mol-base/collections/integer/segmentation'
@@ -23,7 +23,7 @@ interface Model extends Readonly<{
sourceData: Formats.RawData,
//common: CommonProperties,
- macromolecule: HierarchyProperties,
+ macromolecule: MacromoleculeTree,
conformation: Conformation,
// used for diffing.
diff --git a/src/mol-data/model/properties/hierarchy.ts b/src/mol-data/model/properties/macromolecule-tree.ts
similarity index 95%
rename from src/mol-data/model/properties/hierarchy.ts
rename to src/mol-data/model/properties/macromolecule-tree.ts
index 5d54f59ba..73728868e 100644
--- a/src/mol-data/model/properties/hierarchy.ts
+++ b/src/mol-data/model/properties/macromolecule-tree.ts
@@ -8,10 +8,10 @@ import Column from '../../../mol-base/collections/column'
import Table from '../../../mol-base/collections/table'
import { Schema as mmCIF } from '../../../mol-io/reader/cif/schema/mmcif'
+const _esCache = Object.create(null);
export interface ElementSymbol extends String { '@type': 'element-symbol' }
export function ElementSymbol(s: string): ElementSymbol {
- // TODO: optimize?
- return s.toUpperCase() as any;
+ return _esCache[s] || (_esCache[s] = s.toUpperCase());
}
export const AtomsSchema = {
--
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