TmMolStar/src/mol-data/db/column.ts

/**
 * 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>
 */

import * as ColumnHelpers from './column-helpers';
import { Tensor as Tensors } from '../../mol-math/linear-algebra';
import { Tokens } from '../../mol-io/reader/common/text/tokenizer';
import { parseInt as fastParseInt, parseFloat as fastParseFloat } from '../../mol-io/reader/common/text/number-parser';

interface Column<T> {
    readonly schema: Column.Schema,
    readonly __array: ArrayLike<any> | undefined,

    readonly isDefined: boolean,
    readonly rowCount: number,
    value(row: number): T,
    valueKind(row: number): Column.ValueKind,
    toArray(params?: Column.ToArrayParams<T>): ArrayLike<T>,
    areValuesEqual(rowA: number, rowB: number): boolean
}

namespace Column {
    export type ArrayCtor<T> = { new(size: number): ArrayLike<T> }

    export type Schema<T = any> = Schema.Str | Schema.Int | Schema.Float | Schema.Coordinate | Schema.Aliased<T> | Schema.Tensor | Schema.List<number|string>

    export namespace Schema {
        // T also serves as a default value for undefined columns

        type Base<T extends string> = { valueType: T }
        export type Str = { '@type': 'str', T: string } & Base<'str'>
        export type Int = { '@type': 'int', T: number } & Base<'int'>
        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.Data, space: Tensors.Space, baseType: Int | Float } & Base<'tensor'>
        export type Aliased<T> = { '@type': 'aliased', T: T } & Base<T extends string ? 'str' : 'int'>
        export type List<T extends number|string> = { '@type': 'list', T: T[], separator: string, itemParse: (x: string) => T } & Base<'list'>

        export const str: Str = { '@type': 'str', T: '', valueType: 'str' };
        export const int: Int = { '@type': 'int', T: 0, valueType: 'int' };
        export const coord: Coordinate = { '@type': 'coord', T: 0, valueType: 'float' };
        export const float: Float = { '@type': 'float', T: 0, valueType: 'float' };

        export function Str(defaultValue = ''): Str { return { '@type': 'str', T: defaultValue, valueType: 'str' }; };
        export function Int(defaultValue = 0): Int { return { '@type': 'int', T: defaultValue, valueType: 'int' }; };
        export function Float(defaultValue = 0): Float { return { '@type': 'float', T: defaultValue, valueType: 'float' }; };
        export function Tensor(space: Tensors.Space, baseType: Int | Float = float): Tensor { return { '@type': 'tensor', T: space.create(), space, valueType: 'tensor', baseType }; }
        export function Vector(dim: number, baseType: Int | Float = float): Tensor { return Tensor(Tensors.Vector(dim, baseType['@type'] === 'int' ? Int32Array : Float64Array), baseType); }
        export function Matrix(rows: number, cols: number, baseType: Int | Float = float): Tensor { return Tensor(Tensors.ColumnMajorMatrix(rows, cols, baseType['@type'] === 'int' ? Int32Array : Float64Array), baseType); }

        export function Aliased<T>(t: Str | Int, defaultValue?: T): Aliased<T> {
            if (typeof defaultValue !== 'undefined') return { ...t, T: defaultValue } as any as Aliased<T>;
            return t as any as Aliased<T>;
        }
        export function List<T extends number|string>(separator: string, itemParse: (x: string) => T, defaultValue: T[] = []): List<T> {
            return { '@type': 'list', T: defaultValue, separator, itemParse, valueType: 'list' };
        }
    }

    export interface ToArrayParams<T> {
        array?: ArrayCtor<T>,
        start?: number,
        /** Last row (exclusive) */
        end?: number
    }

    export interface LambdaSpec<T extends Schema> {
        value: (row: number) => T['T'],
        rowCount: number,
        schema: T,
        valueKind?: (row: number) => ValueKind,
        areValuesEqual?: (rowA: number, rowB: number) => boolean
    }

    export interface ArraySpec<T extends Schema> {
        array: ArrayLike<T['T']>,
        schema: T,
        valueKind?: (row: number) => ValueKind
    }

    export interface MapSpec<S extends Schema, T extends Schema> {
        f: (v: S['T']) => T['T'],
        schema: T,
        valueKind?: (row: number) => ValueKind,
    }

    export function is(v: any): v is Column<any> {
        return !!v && !!(v as Column<any>).schema && !!(v as Column<any>).value;
    }

    export const enum ValueKind {
        Present = 0,
        /** Expressed in CIF as `.` */
        NotPresent = 1,
        /** Expressed in CIF as `?` */
        Unknown = 2
    }

    export function Undefined<T extends Schema>(rowCount: number, schema: T): Column<T['T']> {
        return constColumn(schema['T'], rowCount, schema, ValueKind.NotPresent);
    }

    export function ofConst<T extends Schema>(v: T['T'], rowCount: number, type: T): Column<T['T']> {
        return constColumn(v, rowCount, type, ValueKind.Present);
    }

    export function ofLambda<T extends Schema>(spec: LambdaSpec<T>): Column<T['T']> {
        return lambdaColumn(spec);
    }

    /** values [min, max] (i.e. include both values) */
    export function range(min: number, max: number): Column<number> {
        return ofLambda({
            value: i => i + min,
            rowCount: Math.max(max - min + 1, 0),
            schema: Schema.int
        });
    }

    export function ofArray<T extends Column.Schema>(spec: Column.ArraySpec<T>): Column<T['T']> {
        return arrayColumn(spec);
    }

    export function ofIntArray(array: ArrayLike<number>) {
        return arrayColumn({ array, schema: Schema.int });
    }

    export function ofFloatArray(array: ArrayLike<number>) {
        return arrayColumn({ array, schema: Schema.float });
    }

    export function ofStringArray(array: ArrayLike<string>) {
        return arrayColumn({ array, schema: Schema.str });
    }

    export function ofStringAliasArray<T extends string>(array: ArrayLike<T>) {
        return arrayColumn<Schema.Aliased<T>>({ array, schema: Schema.Aliased(Schema.str) });
    }

    export function ofStringListArray<T extends string>(array: ArrayLike<T[]>, separator = ',') {
        return arrayColumn<Schema.List<T>>({ array, schema: Schema.List<T>(separator, x => x as T) });
    }

    export function ofIntTokens(tokens: Tokens) {
        const { count, data, indices } = tokens;
        return lambdaColumn({
            value: (row: number) => fastParseInt(data, indices[2 * row], indices[2 * row + 1]) || 0,
            rowCount: count,
            schema: Schema.int,
        });
    }

    export function ofFloatTokens(tokens: Tokens) {
        const { count, data, indices } = tokens;
        return lambdaColumn({
            value: (row: number) => fastParseFloat(data, indices[2 * row], indices[2 * row + 1]) || 0,
            rowCount: count,
            schema: Schema.float,
        });
    }

    export function ofStringTokens(tokens: Tokens) {
        const { count, data, indices } = tokens;
        return lambdaColumn({
            value: (row: number) => {
                const ret = data.substring(indices[2 * row], indices[2 * row + 1]);
                if (ret === '.' || ret === '?') return '';
                return ret;
            },
            rowCount: count,
            schema: Schema.str,
        });
    }

    export function window<T>(column: Column<T>, start: number, end: number) {
        return windowColumn(column, start, end);
    }

    export function view<T>(column: Column<T>, indices: ArrayLike<number>, checkIndentity = true) {
        return columnView(column, indices, checkIndentity);
    }

    /** A map of the 1st occurence of each value. */
    export function createFirstIndexMap<T>(column: Column<T>) {
        return createFirstIndexMapOfColumn(column);
    }

    export function createIndexer<T, R extends number = number>(column: Column<T>) {
        return createIndexerOfColumn(column) as ((e: T) => R);
    }

    export function mapToArray<T, S>(column: Column<T>, f: (v: T) => S, ctor?: ArrayCtor<S>): ArrayLike<S> {
        return mapToArrayImpl<T, S>(column, f, ctor || Array);
    }

    export function areEqual<T>(a: Column<T>, b: Column<T>) {
        return areColumnsEqual(a, b);
    }

    export function indicesOf<T>(c: Column<T>, test: (e: T) => boolean) {
        return columnIndicesOf(c, test);
    }

    /** Makes the column backed by an array. Useful for columns that are accessed often. */
    export function asArrayColumn<T>(c: Column<T>, array?: ArrayCtor<T>): Column<T> {
        if (c.__array) return c;
        if (!c.isDefined) return Undefined(c.rowCount, c.schema) as any as Column<T>;
        return arrayColumn({ array: c.toArray({ array }), schema: c.schema, valueKind: c.valueKind });
    }

    export function copyToArray<T extends number>(c: Column<T>, array: { [k: number]: T, length: number }, offset = 0) {
        if (!c.isDefined) return;
        const cArray = c.__array;
        if (cArray) {
            for (let i = 0, _i = cArray.length; i < _i; i++) array[offset + i] = cArray[i];
        } else {
            for (let i = 0, _i = c.rowCount; i < _i; i++) array[offset + i] = c.value(i);
        }
    }

    export function isIdentity<T extends number>(c: Column<T>) {
        for (let i = 0, _i = c.rowCount; i < _i; i++) {
            if (i !== c.value(i)) return false;
        }
        return true;
    }
}

export { Column };

function createFirstIndexMapOfColumn<T>(c: Column<T>): Map<T, number> {
    const map = new Map<T, number>();
    for (let i = 0, _i = c.rowCount; i < _i; i++) {
        const v = c.value(i);
        if (!map.has(v)) map.set(c.value(i), i);
    }
    return map;
}

function createIndexerOfColumn<T>(c: Column<T>): (value: T) => number {
    const map = new Map<T, number>();
    for (let i = 0, _i = c.rowCount; i < _i; i++) {
        const v = c.value(i);
        if (!map.has(v)) map.set(c.value(i), i);
    }
    return v => map.has(v) ? map.get(v)! : -1;
}

function constColumn<T extends Column.Schema>(v: T['T'], rowCount: number, schema: T, valueKind: Column.ValueKind): Column<T['T']> {
    const value: Column<T['T']>['value'] = row => v;
    return {
        schema: schema,
        __array: void 0,
        isDefined: valueKind === Column.ValueKind.Present,
        rowCount,
        value,
        valueKind: row => valueKind,
        toArray: params => {
            const { array } = ColumnHelpers.createArray(rowCount, params);
            for (let i = 0, _i = array.length; i < _i; i++) array[i] = v;
            return array;
        },
        areValuesEqual: (rowA, rowB) => true
    };
}

function lambdaColumn<T extends Column.Schema>({ value, valueKind, areValuesEqual, rowCount, schema }: Column.LambdaSpec<T>): Column<T['T']> {
    return {
        schema: schema,
        __array: void 0,
        isDefined: true,
        rowCount,
        value,
        valueKind: valueKind ? valueKind : row => Column.ValueKind.Present,
        toArray: params => {
            const { array, start } = ColumnHelpers.createArray(rowCount, params);
            for (let i = 0, _i = array.length; i < _i; i++) array[i] = value(i + start);
            return array;
        },
        areValuesEqual: areValuesEqual ? areValuesEqual : (rowA, rowB) => value(rowA) === value(rowB)
    };
}

function arrayColumn<T extends Column.Schema>({ array, schema, valueKind }: Column.ArraySpec<T>): Column<T['T']> {
    const rowCount = array.length;
    const value: Column<T['T']>['value'] = schema.valueType === 'str'
        ? row => { const v = array[row]; return typeof v === 'string' ? v : '' + v; }
        : row => array[row];

    const isTyped = ColumnHelpers.isTypedArray(array);
    return {
        schema: schema,
        __array: array,
        isDefined: true,
        rowCount,
        value,
        valueKind: valueKind ? valueKind : row => Column.ValueKind.Present,
        toArray: schema.valueType === 'str'
            ? params => {
                const { start, end } = ColumnHelpers.getArrayBounds(rowCount, params);
                const ret = new (params && typeof params.array !== 'undefined' ? params.array : (array as any).constructor)(end - start) as any;
                for (let i = 0, _i = end - start; i < _i; i++) {
                    const v = array[start + i];
                    ret[i] = typeof v === 'string' ? v : '' + v;
                }
                return ret;
            }
            : isTyped
                ? params => ColumnHelpers.typedArrayWindow(array, params) as any as ReadonlyArray<T>
                : params => {
                    const { start, end } = ColumnHelpers.getArrayBounds(rowCount, params);
                    if (start === 0 && end === array.length) return array as ReadonlyArray<T['T']>;
                    const ret = new (params && typeof params.array !== 'undefined' ? params.array : (array as any).constructor)(end - start) as any;
                    for (let i = 0, _i = end - start; i < _i; i++) ret[i] = array[start + i];
                    return ret;
                },
        areValuesEqual: (rowA, rowB) => array[rowA] === array[rowB]
    };
}

function windowColumn<T>(column: Column<T>, start: number, end: number): Column<T> {
    if (!column.isDefined) return Column.Undefined(end - start, column.schema);
    if (start === 0 && end === column.rowCount) return column;
    if (!!column.__array && ColumnHelpers.isTypedArray(column.__array)) return windowTyped(column, start, end);
    return windowFull(column, start, end);
}

function windowTyped<T>(c: Column<T>, start: number, end: number): Column<T> {
    const array = ColumnHelpers.typedArrayWindow(c.__array, { start, end });
    const vk = c.valueKind;
    return arrayColumn({ array, schema: c.schema, valueKind: row => vk(start + row) }) as any;
}

function windowFull<T>(c: Column<T>, start: number, end: number): Column<T> {
    const v = c.value, vk = c.valueKind, ave = c.areValuesEqual;
    const value: Column<T>['value'] = start === 0 ? v : row => v(row + start);
    const rowCount = end - start;
    return {
        schema: c.schema,
        __array: void 0,
        isDefined: c.isDefined,
        rowCount,
        value,
        valueKind: start === 0 ? vk : row => vk(row + start),
        toArray: params => {
            const { array } = ColumnHelpers.createArray(rowCount, params);
            for (let i = 0, _i = array.length; i < _i; i++) array[i] = v(i + start);
            return array;
        },
        areValuesEqual: start === 0 ? ave : (rowA, rowB) => ave(rowA + start, rowB + start)
    };
}

function isIdentity(map: ArrayLike<number>, rowCount: number) {
    if (map.length !== rowCount) return false;
    for (let i = 0, _i = map.length; i < _i; i++) {
        if (map[i] !== i) return false;
    }
    return true;
}

function columnView<T>(c: Column<T>, map: ArrayLike<number>, checkIdentity: boolean): Column<T> {
    if (c.rowCount === 0) return c;
    if (checkIdentity && isIdentity(map, c.rowCount)) return c;
    if (!!c.__array && typeof c.value(0) === typeof c.__array[0]) return arrayView(c, map);
    return viewFull(c, map);
}

function arrayView<T>(c: Column<T>, map: ArrayLike<number>): Column<T> {
    const array = c.__array!;
    const ret = new (array as any).constructor(map.length);
    for (let i = 0, _i = map.length; i < _i; i++) ret[i] = array[map[i]];
    const vk = c.valueKind;
    return arrayColumn({ array: ret, schema: c.schema, valueKind: row => vk(map[row]) });
}

function viewFull<T>(c: Column<T>, map: ArrayLike<number>): Column<T> {
    const v = c.value, vk = c.valueKind, ave = c.areValuesEqual;
    const value: Column<T>['value'] = row => v(map[row]);
    const rowCount = map.length;
    return {
        schema: c.schema,
        __array: void 0,
        isDefined: c.isDefined,
        rowCount,
        value,
        valueKind: row => vk(map[row]),
        toArray: params => {
            const { array } = ColumnHelpers.createArray(rowCount, params);
            for (let i = 0, _i = array.length; i < _i; i++) array[i] = v(map[i]);
            return array;
        },
        areValuesEqual: (rowA, rowB) => ave(map[rowA], map[rowB])
    };
}

function mapToArrayImpl<T, S>(c: Column<T>, f: (v: T) => S, ctor: Column.ArrayCtor<S>): ArrayLike<S> {
    const ret = new ctor(c.rowCount) as any;
    for (let i = 0, _i = c.rowCount; i < _i; i++) ret[i] = f(c.value(i));
    return ret;
}

function areColumnsEqual(a: Column<any>, b: Column<any>) {
    if (a === b) return true;
    if (a.rowCount !== b.rowCount || a.isDefined !== b.isDefined || a.schema.valueType !== b.schema.valueType) return false;
    if (!!a.__array && !!b.__array) return areArraysEqual(a, b);
    return areValuesEqual(a, b);
}

function areArraysEqual(a: Column<any>, b: Column<any>) {
    const xs = a.__array!, ys = b.__array!;
    for (let i = 0, _i = a.rowCount; i < _i; i++) {
        if (xs[i] !== ys[i]) return false;
    }
    return true;
}

function areValuesEqual(a: Column<any>, b: Column<any>) {
    const va = a.value, vb = b.value;
    for (let i = 0, _i = a.rowCount; i < _i; i++) {
        if (va(i) !== vb(i)) return false;
    }
    return true;
}

function columnIndicesOf<T>(c: Column<T>, test: (e: T) => boolean) {
    const ret = [], v = c.value;
    for (let i = 0, _i = c.rowCount; i < _i; i++) {
        if (test(v(i))) ret[ret.length] = i;
    }
    return ret;
}