Updated tensors in mol-math

src/mol-data/db/column.ts

@@ -34,7 +34,7 @@ namespace Column {
         export type Float = { '@type': 'float', T: number } & Base<'float'>
         export type Coordinate = { '@type': 'coord', T: number } & Base<'float'>
 
-        export type Tensor = { '@type': 'tensor', T: Tensors, space: Tensors.Space } & Base<'tensor'>
+        export type Tensor = { '@type': 'tensor', T: Tensors.Data, space: Tensors.Space } & Base<'tensor'>
         export type Aliased<T> = { '@type': 'aliased', T: T } & Base<'str' | 'int'>
         export type List<T extends number|string> = { '@type': 'list', T: T[], separator: string, itemParse: (x: string) => T } & Base<'list'>
 

src/mol-io/reader/cif/data-model.ts

@@ -78,7 +78,7 @@ export interface Field {
     toFloatArray(params?: Column.ToArrayParams<number>): ReadonlyArray<number>
 }
 
-export function getTensor(category: Category, field: string, space: Tensor.Space, row: number): Tensor {
+export function getTensor(category: Category, field: string, space: Tensor.Space, row: number): Tensor.Data {
     const ret = space.create();
     if (space.rank === 1) {
         const rows = space.dimensions[0];

src/mol-io/reader/cif/schema.ts

@@ -71,7 +71,7 @@ function createListColumn<T extends number|string>(schema: Column.Schema.List<T>
     };
 }
 
-function createTensorColumn(schema: Column.Schema.Tensor, category: Data.Category, key: string): Column<Tensor> {
+function createTensorColumn(schema: Column.Schema.Tensor, category: Data.Category, key: string): Column<Tensor.Data> {
     const space = schema.space;
     let firstFieldName: string;
     switch (space.rank) {
@@ -82,7 +82,7 @@ function createTensorColumn(schema: Column.Schema.Tensor, category: Data.Categor
     }
     const first = category.getField(firstFieldName) || Column.Undefined(category.rowCount, schema);
     const value = (row: number) => Data.getTensor(category, key, space, row);
-    const toArray: Column<Tensor>['toArray'] = params => ColumnHelpers.createAndFillArray(category.rowCount, value, params)
+    const toArray: Column<Tensor.Data>['toArray'] = params => ColumnHelpers.createAndFillArray(category.rowCount, value, params)
 
     return {
         schema,

src/mol-math/linear-algebra/tensor.ts

@@ -6,18 +6,20 @@
 
 import { Mat4, Vec3, Vec4 } from './3d'
 
-export interface Tensor extends Array<number> { '@type': 'tensor' }
+export interface Tensor { data: Tensor.Data, space: Tensor.Space }
 
 export namespace Tensor {
     export type ArrayCtor = { new (size: number): ArrayLike<number> }
 
+    export interface Data extends Array<number> { '@type': 'tensor' }
+
     export interface Space {
         readonly rank: number,
         readonly dimensions: ReadonlyArray<number>,
         readonly axisOrderSlowToFast: ReadonlyArray<number>,
-        create(array?: ArrayCtor): Tensor,
-        get(data: Tensor, ...coords: number[]): number
-        set(data: Tensor, ...coordsAndValue: number[]): number
+        create(array?: ArrayCtor): Tensor.Data,
+        get(data: Tensor.Data, ...coords: number[]): number
+        set(data: Tensor.Data, ...coordsAndValue: number[]): number
     }
 
     interface Layout {
@@ -39,6 +41,8 @@ export namespace Tensor {
         return { dimensions, axisOrderFastToSlow, axisOrderSlowToFast, accessDimensions, defaultCtor: ctor || Float64Array }
     }
 
+    export function create(space: Space, data: Data): Tensor { return { space, data }; }
+
     export function Space(dimensions: number[], axisOrderSlowToFast: number[], ctor?: ArrayCtor): Space {
         const layout = Layout(dimensions, axisOrderSlowToFast, ctor);
         const { get, set } = accessors(layout);
@@ -49,7 +53,7 @@ export namespace Tensor {
     export function ColumnMajorMatrix(rows: number, cols: number, ctor?: ArrayCtor) { return Space([rows, cols], [1, 0], ctor); }
     export function RowMajorMatrix(rows: number, cols: number, ctor?: ArrayCtor) { return Space([rows, cols], [0, 1], ctor); }
 
-    export function toMat4(space: Space, data: Tensor): Mat4 {
+    export function toMat4(space: Space, data: Tensor.Data): Mat4 {
         if (space.rank !== 2) throw new Error('Invalid tensor rank');
         const mat = Mat4.zero();
         const d0 = Math.min(4, space.dimensions[0]), d1 = Math.min(4, space.dimensions[1]);
@@ -59,7 +63,7 @@ export namespace Tensor {
         return mat;
     }
 
-    export function toVec3(space: Space, data: Tensor): Vec3 {
+    export function toVec3(space: Space, data: Tensor.Data): Vec3 {
         if (space.rank !== 1) throw new Error('Invalid tensor rank');
         const vec = Vec3.zero();
         const d0 = Math.min(3, space.dimensions[0]);
@@ -67,7 +71,7 @@ export namespace Tensor {
         return vec;
     }
 
-    export function toVec4(space: Space, data: Tensor): Vec4 {
+    export function toVec4(space: Space, data: Tensor.Data): Vec4 {
         if (space.rank !== 1) throw new Error('Invalid tensor rank');
         const vec = Vec4.zero();
         const d0 = Math.min(4, space.dimensions[0]);
@@ -75,7 +79,7 @@ export namespace Tensor {
         return vec;
     }
 
-    export function areEqualExact(a: Tensor, b: Tensor) {
+    export function areEqualExact(a: Tensor.Data, b: Tensor.Data) {
         const len = a.length;
         if (len !== b.length) return false;
         for (let i = 0; i < len; i++) if (a[i] !== b[i]) return false;
@@ -136,7 +140,7 @@ export namespace Tensor {
         const { dimensions: ds } = layout;
         let size = 1;
         for (let i = 0, _i = ds.length; i < _i; i++) size *= ds[i];
-        return ctor => new (ctor || layout.defaultCtor)(size) as Tensor;
+        return ctor => new (ctor || layout.defaultCtor)(size) as Tensor.Data;
     }
 
     function dataOffset(layout: Layout, coord: number[]) {