TmMolStar/src/mol-model/loci.ts

/**
 * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
 *
 * @author Alexander Rose <alexander.rose@weirdbyte.de>
 */

import { StructureElement } from './structure'
import { Link } from './structure/structure/unit/links'
import { Shape, ShapeGroup } from './shape';
import { Sphere3D } from '../mol-math/geometry';
import { CentroidHelper } from '../mol-math/geometry/centroid-helper';
import { Vec3 } from '../mol-math/linear-algebra';
import { OrderedSet } from '../mol-data/int';
import { Structure } from './structure/structure';

/** A Loci that includes every loci */
export const EveryLoci = { kind: 'every-loci' as 'every-loci' }
export type EveryLoci = typeof EveryLoci
export function isEveryLoci(x: any): x is EveryLoci {
    return !!x && x.kind === 'every-loci';
}

/** A Loci that is empty */
export const EmptyLoci = { kind: 'empty-loci' as 'empty-loci' }
export type EmptyLoci = typeof EmptyLoci
export function isEmptyLoci(x: any): x is EmptyLoci {
    return !!x && x.kind === 'empty-loci';
}

/** A generic data loci */
export interface DataLoci {
    readonly kind: 'data-loci',
    readonly data: any,
    readonly tag: string
    readonly indices: OrderedSet<number>
}
export function isDataLoci(x: any): x is DataLoci {
    return !!x && x.kind === 'data-loci';
}
export function areDataLociEqual(a: DataLoci, b: DataLoci) {
    return a.data === b.data && a.tag === b.tag && OrderedSet.areEqual(a.indices, b.indices)
}
export function isDataLociEmpty(loci: DataLoci) {
    return OrderedSet.size(loci.indices) === 0 ? true : false
}
export function createDataLoci(data: any, tag: string, indices: OrderedSet<number>): DataLoci {
    return { kind: 'data-loci', data, tag, indices }
}

export { Loci }

type Loci = StructureElement.Loci | Structure.Loci | Link.Loci | EveryLoci | EmptyLoci | DataLoci | Shape.Loci | ShapeGroup.Loci

namespace Loci {
    export function areEqual(lociA: Loci, lociB: Loci) {
        if (isEveryLoci(lociA) && isEveryLoci(lociB)) return true
        if (isEmptyLoci(lociA) && isEmptyLoci(lociB)) return true
        if (isDataLoci(lociA) && isDataLoci(lociB)) {
            return areDataLociEqual(lociA, lociB)
        }
        if (Structure.isLoci(lociA) && Structure.isLoci(lociB)) {
            return Structure.areLociEqual(lociA, lociB)
        }
        if (StructureElement.Loci.is(lociA) && StructureElement.Loci.is(lociB)) {
            return StructureElement.Loci.areEqual(lociA, lociB)
        }
        if (Link.isLoci(lociA) && Link.isLoci(lociB)) {
            return Link.areLociEqual(lociA, lociB)
        }
        if (Shape.isLoci(lociA) && Shape.isLoci(lociB)) {
            return Shape.areLociEqual(lociA, lociB)
        }
        if (ShapeGroup.isLoci(lociA) && ShapeGroup.isLoci(lociB)) {
            return ShapeGroup.areLociEqual(lociA, lociB)
        }
        return false
    }

    export function isEmpty(loci: Loci): boolean {
        if (isEveryLoci(loci)) return false
        if (isEmptyLoci(loci)) return true
        if (isDataLoci(loci)) return isDataLociEmpty(loci)
        if (Structure.isLoci(loci)) return Structure.isLociEmpty(loci)
        if (StructureElement.Loci.is(loci)) return StructureElement.Loci.isEmpty(loci)
        if (Link.isLoci(loci)) return Link.isLociEmpty(loci)
        if (Shape.isLoci(loci)) return Shape.isLociEmpty(loci)
        if (ShapeGroup.isLoci(loci)) return ShapeGroup.isLociEmpty(loci)
        return false
    }

    export function remap<T>(loci: Loci, data: T) {
        if (data instanceof Structure) {
            if (StructureElement.Loci.is(loci)) {
                loci = StructureElement.Loci.remap(loci, data)
            } else if (Link.isLoci(loci)) {
                loci = Link.remapLoci(loci, data)
            }
        }
        return loci
    }

    const sphereHelper = new CentroidHelper(), tempPos = Vec3.zero();

    export function getBoundingSphere(loci: Loci, boundingSphere?: Sphere3D): Sphere3D | undefined {
        if (loci.kind === 'every-loci' || loci.kind === 'empty-loci') return void 0;

        if (!boundingSphere) boundingSphere = Sphere3D()
        sphereHelper.reset();

        if (loci.kind === 'structure-loci') {
            return Sphere3D.copy(boundingSphere, loci.structure.boundary.sphere)
        } else if (loci.kind === 'element-loci') {
            return StructureElement.Loci.getBoundary(loci).sphere;
        } else if (loci.kind === 'link-loci') {
            for (const e of loci.links) {
                e.aUnit.conformation.position(e.aUnit.elements[e.aIndex], tempPos);
                sphereHelper.includeStep(tempPos);
                e.bUnit.conformation.position(e.bUnit.elements[e.bIndex], tempPos);
                sphereHelper.includeStep(tempPos);
            }
            sphereHelper.finishedIncludeStep();
            for (const e of loci.links) {
                e.aUnit.conformation.position(e.aUnit.elements[e.aIndex], tempPos);
                sphereHelper.radiusStep(tempPos);
                e.aUnit.conformation.position(e.bUnit.elements[e.bIndex], tempPos);
                sphereHelper.radiusStep(tempPos);
            }
        } else if (loci.kind === 'shape-loci') {
            // TODO
            return void 0;
        } else if (loci.kind === 'group-loci') {
            // TODO
            return void 0;
        } else if (loci.kind === 'data-loci') {
            // TODO maybe add loci.getBoundingSphere()???
            return void 0;
        }

        Vec3.copy(boundingSphere.center, sphereHelper.center)
        boundingSphere.radius = Math.sqrt(sphereHelper.radiusSq)
        return boundingSphere
    }

    const tmpSphere3D = Sphere3D.zero()
    export function getCenter(loci: Loci, center?: Vec3): Vec3 | undefined {
        const boundingSphere = getBoundingSphere(loci, tmpSphere3D)
        return boundingSphere ? Vec3.copy(center || Vec3.zero(), boundingSphere.center) : undefined
    }
}