TmMolStar/src/mol-plugin-state/transforms/representation.ts

/**
 * Copyright (c) 2018-2020 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 { Structure, StructureElement } from '../../mol-model/structure';
import { VolumeData, VolumeIsoValue } from '../../mol-model/volume';
import { PluginContext } from '../../mol-plugin/context';
import { RepresentationProvider } from '../../mol-repr/representation';
import { BuiltInStructureRepresentationsName } from '../../mol-repr/structure/registry';
import { StructureParams } from '../../mol-repr/structure/representation';
import { BuiltInVolumeRepresentationsName } from '../../mol-repr/volume/registry';
import { VolumeParams } from '../../mol-repr/volume/representation';
import { StateTransformer, StateObject } from '../../mol-state';
import { Task } from '../../mol-task';
import { BuiltInColorThemeName, ColorTheme } from '../../mol-theme/color';
import { BuiltInSizeThemeName, SizeTheme } from '../../mol-theme/size';
import { Theme, ThemeRegistryContext } from '../../mol-theme/theme';
import { ParamDefinition as PD } from '../../mol-util/param-definition';
import { PluginStateObject as SO, PluginStateTransform } from '../objects';
import { ColorNames } from '../../mol-util/color/names';
import { ShapeRepresentation } from '../../mol-repr/shape/representation';
import { StructureUnitTransforms } from '../../mol-model/structure/structure/util/unit-transforms';
import { unwindStructureAssembly, explodeStructure } from '../animation/helpers';
import { Color } from '../../mol-util/color';
import { Overpaint } from '../../mol-theme/overpaint';
import { Transparency } from '../../mol-theme/transparency';
import { BaseGeometry } from '../../mol-geo/geometry/base';
import { Script } from '../../mol-script/script';
import { getUnitcellRepresentation, UnitcellParams } from '../../mol-plugin/util/model-unitcell';
import { DistanceParams, DistanceRepresentation } from '../../mol-repr/shape/loci/distance';
import { getDistanceDataFromStructureSelections, getLabelDataFromStructureSelections, getOrientationDataFromStructureSelections, getAngleDataFromStructureSelections, getDihedralDataFromStructureSelections } from './helpers';
import { LabelParams, LabelRepresentation } from '../../mol-repr/shape/loci/label';
import { OrientationRepresentation, OrientationParams } from '../../mol-repr/shape/loci/orientation';
import { AngleParams, AngleRepresentation } from '../../mol-repr/shape/loci/angle';
import { DihedralParams, DihedralRepresentation } from '../../mol-repr/shape/loci/dihedral';
import { ModelSymmetry } from '../../mol-model-formats/structure/property/symmetry';

export { StructureRepresentation3D }
export { StructureRepresentation3DHelpers }
export { ExplodeStructureRepresentation3D }
export { UnwindStructureAssemblyRepresentation3D }
export { OverpaintStructureRepresentation3DFromScript }
export { OverpaintStructureRepresentation3DFromBundle }
export { TransparencyStructureRepresentation3DFromScript }
export { TransparencyStructureRepresentation3DFromBundle }
export { VolumeRepresentation3D }

namespace StructureRepresentation3DHelpers {
    export function getDefaultParams(ctx: PluginContext, name: BuiltInStructureRepresentationsName, structure: Structure, structureParams?: Partial<PD.Values<StructureParams>>): StateTransformer.Params<StructureRepresentation3D> {
        const type = ctx.structureRepresentation.registry.get(name);

        const themeDataCtx = { structure };
        const colorParams = ctx.structureRepresentation.themeCtx.colorThemeRegistry.get(type.defaultColorTheme.name).getParams(themeDataCtx);
        const sizeParams = ctx.structureRepresentation.themeCtx.sizeThemeRegistry.get(type.defaultSizeTheme.name).getParams(themeDataCtx)
        const structureDefaultParams = PD.getDefaultValues(type.getParams(ctx.structureRepresentation.themeCtx, structure))
        return ({
            type: { name, params: structureParams ? { ...structureDefaultParams, ...structureParams } : structureDefaultParams },
            colorTheme: { name: type.defaultColorTheme.name, params: { ...PD.getDefaultValues(colorParams), ...type.defaultColorTheme.props } },
            sizeTheme: { name: type.defaultSizeTheme.name, params: { ...PD.getDefaultValues(sizeParams), ...type.defaultSizeTheme.props } }
        })
    }

    export type Props<R extends RepresentationProvider<Structure, any, any> = any, C extends ColorTheme.Provider<any> = any, S extends SizeTheme.Provider<any> = any> = {
        repr?: R | [R, (r: R, ctx: ThemeRegistryContext, s: Structure) => Partial<RepresentationProvider.ParamValues<R>>],
        color?: C | [C, (c: C, ctx: ThemeRegistryContext) => Partial<ColorTheme.ParamValues<C>>],
        size?: S | [S, (c: S, ctx: ThemeRegistryContext) => Partial<SizeTheme.ParamValues<S>>]
    }

    export function createParams<R extends RepresentationProvider<Structure, any, any>, C extends ColorTheme.Provider<any>, S extends SizeTheme.Provider<any>>(
        ctx: PluginContext, structure: Structure, props: Props<R, C, S> = {}): StateTransformer.Params<StructureRepresentation3D> {

        const { themeCtx } = ctx.structureRepresentation
        const themeDataCtx = { structure }

        const repr = props.repr
            ? props.repr instanceof Array ? props.repr[0] : props.repr
            : ctx.structureRepresentation.registry.default.provider;
        const reprDefaultParams = PD.getDefaultValues(repr.getParams(themeCtx, structure));
        const reprParams = props.repr instanceof Array
            ? { ...reprDefaultParams, ...props.repr[1](repr as R, themeCtx, structure) }
            : reprDefaultParams;

        const color = props.color
            ? props.color instanceof Array ? props.color[0] : props.color
            : themeCtx.colorThemeRegistry.get(repr.defaultColorTheme.name);
        const colorDefaultParams = { ...PD.getDefaultValues(color.getParams(themeDataCtx)), ...repr.defaultColorTheme.props }
        const colorParams = props.color instanceof Array
            ? { ...colorDefaultParams, ...props.color[1](color as C, themeCtx) }
            : colorDefaultParams;

        const size = props.size
            ? props.size instanceof Array ? props.size[0] : props.size
            : themeCtx.sizeThemeRegistry.get(repr.defaultSizeTheme.name);
        const sizeDefaultParams = { ...PD.getDefaultValues(size.getParams(themeDataCtx)), ...repr.defaultSizeTheme.props }
        const sizeParams = props.size instanceof Array
            ? { ...sizeDefaultParams, ...props.size[1](size as S, themeCtx) }
            : sizeDefaultParams;

        return ({
            type: { name: ctx.structureRepresentation.registry.getName(repr), params: reprParams },
            colorTheme: { name: themeCtx.colorThemeRegistry.getName(color), params: colorParams },
            sizeTheme: { name: themeCtx.sizeThemeRegistry.getName(size), params: sizeParams }
        })
    }

    export function getDefaultParamsWithTheme(ctx: PluginContext, reprName: BuiltInStructureRepresentationsName, colorName: BuiltInColorThemeName | undefined, structure: Structure, structureParams?: Partial<PD.Values<StructureParams>>): StateTransformer.Params<StructureRepresentation3D> {
        const type = ctx.structureRepresentation.registry.get(reprName);

        const themeDataCtx = { structure };
        const color = colorName || type.defaultColorTheme.name;
        const colorParams = ctx.structureRepresentation.themeCtx.colorThemeRegistry.get(color).getParams(themeDataCtx);
        const sizeParams = ctx.structureRepresentation.themeCtx.sizeThemeRegistry.get(type.defaultSizeTheme.name).getParams(themeDataCtx)
        const structureDefaultParams = PD.getDefaultValues(type.getParams(ctx.structureRepresentation.themeCtx, structure))
        return ({
            type: { name: reprName, params: structureParams ? { ...structureDefaultParams, ...structureParams } : structureDefaultParams },
            colorTheme: { name: color, params: PD.getDefaultValues(colorParams) },
            sizeTheme: { name: type.defaultSizeTheme.name, params: PD.getDefaultValues(sizeParams) }
        })
    }

    export function getDefaultParamsStatic(ctx: PluginContext, name: BuiltInStructureRepresentationsName, structureParams?: Partial<PD.Values<StructureParams>>, colorName?: BuiltInColorThemeName): StateTransformer.Params<StructureRepresentation3D> {
        const type = ctx.structureRepresentation.registry.get(name);
        const color = colorName || type.defaultColorTheme.name;
        const colorParams = ctx.structureRepresentation.themeCtx.colorThemeRegistry.get(color).defaultValues;
        const sizeParams = ctx.structureRepresentation.themeCtx.sizeThemeRegistry.get(type.defaultSizeTheme.name).defaultValues
        return ({
            type: { name, params: structureParams ? { ...type.defaultValues, ...structureParams } : type.defaultValues },
            colorTheme: { name: color, params: colorParams },
            sizeTheme: { name: type.defaultSizeTheme.name, params: sizeParams }
        })
    }
}

type StructureRepresentation3D = typeof StructureRepresentation3D
const StructureRepresentation3D = PluginStateTransform.BuiltIn({
    name: 'structure-representation-3d',
    display: '3D Representation',
    from: SO.Molecule.Structure,
    to: SO.Molecule.Structure.Representation3D,
    params: (a, ctx: PluginContext) => {
        const { registry, themeCtx } = ctx.structureRepresentation
        const type = registry.get(registry.default.name);

        if (!a) {
            const colorThemeInfo = {
                help: (value: { name: string, params: {} }) => {
                    const { name, params } = value
                    const p = themeCtx.colorThemeRegistry.get(name)
                    const ct = p.factory({}, params)
                    return { description: ct.description, legend: ct.legend }
                }
            }

            return {
                type: PD.Mapped<any>(
                    registry.default.name,
                    registry.types,
                    name => PD.Group<any>(registry.get(name).getParams(themeCtx, Structure.Empty))),
                colorTheme: PD.Mapped<any>(
                    type.defaultColorTheme.name,
                    themeCtx.colorThemeRegistry.types,
                    name => PD.Group<any>(themeCtx.colorThemeRegistry.get(name).getParams({ structure: Structure.Empty })),
                    colorThemeInfo
                ),
                sizeTheme: PD.Mapped<any>(
                    type.defaultSizeTheme.name,
                    themeCtx.sizeThemeRegistry.types,
                    name => PD.Group<any>(themeCtx.sizeThemeRegistry.get(name).getParams({ structure: Structure.Empty }))
                )
            }
        }

        const dataCtx = { structure: a.data }
        const colorThemeInfo = {
            help: (value: { name: string, params: {} }) => {
                const { name, params } = value
                const p = themeCtx.colorThemeRegistry.get(name)
                const ct = p.factory(dataCtx, params)
                return { description: ct.description, legend: ct.legend }
            }
        }

        return ({
            type: PD.Mapped<any>(
                registry.default.name,
                registry.getApplicableTypes(a.data),
                name => PD.Group<any>(registry.get(name).getParams(themeCtx, a.data))),
            colorTheme: PD.Mapped<any>(
                type.defaultColorTheme.name,
                themeCtx.colorThemeRegistry.getApplicableTypes(dataCtx),
                name => PD.Group<any>(themeCtx.colorThemeRegistry.get(name).getParams(dataCtx)),
                colorThemeInfo
            ),
            sizeTheme: PD.Mapped<any>(
                type.defaultSizeTheme.name,
                themeCtx.sizeThemeRegistry.types,
                name => PD.Group<any>(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx))
            )
        })
    }
})({
    canAutoUpdate({ a, oldParams, newParams }) {
        // TODO: other criteria as well?
        return a.data.elementCount < 10000 || oldParams.type.name === newParams.type.name;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Structure Representation', async ctx => {
            const propertyCtx = { runtime: ctx, fetch: plugin.fetch }
            const provider = plugin.structureRepresentation.registry.get(params.type.name)
            if (provider.ensureCustomProperties) await provider.ensureCustomProperties.attach(propertyCtx, a.data)
            const props = params.type.params || {}
            const repr = provider.factory({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, provider.getParams)
            await Theme.ensureDependencies(propertyCtx, plugin.structureRepresentation.themeCtx, { structure: a.data }, params)
            repr.setTheme(Theme.create(plugin.structureRepresentation.themeCtx, { structure: a.data }, params))
            // TODO set initial state, repr.setState({})
            await repr.createOrUpdate(props, a.data).runInContext(ctx);
            return new SO.Molecule.Structure.Representation3D({ repr, source: a } , { label: provider.label });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Structure Representation', async ctx => {
            const oldProvider = plugin.structureRepresentation.registry.get(oldParams.type.name);
            const propertyCtx = { runtime: ctx, fetch: plugin.fetch }
            if (oldProvider.ensureCustomProperties) oldProvider.ensureCustomProperties.detach(propertyCtx, a.data);
            Theme.releaseDependencies(propertyCtx, plugin.structureRepresentation.themeCtx, { structure: a.data }, oldParams);

            if (newParams.type.name !== oldParams.type.name) return StateTransformer.UpdateResult.Recreate;
            const provider = plugin.structureRepresentation.registry.get(newParams.type.name)
            if (provider.ensureCustomProperties) await provider.ensureCustomProperties.attach(propertyCtx, a.data)
            const props = { ...b.data.repr.props, ...newParams.type.params }
            await Theme.ensureDependencies(propertyCtx, plugin.structureRepresentation.themeCtx, { structure: a.data }, newParams)
            b.data.repr.setTheme(Theme.create(plugin.structureRepresentation.themeCtx, { structure: a.data }, newParams));
            await b.data.repr.createOrUpdate(props, a.data).runInContext(ctx);
            b.data.source = a
            return StateTransformer.UpdateResult.Updated;
        });
    },
    interpolate(src, tar, t) {
        if (src.colorTheme.name !== 'uniform' || tar.colorTheme.name !== 'uniform') {
            return t <= 0.5 ? src : tar;
        }
        const from = src.colorTheme.params.value as Color, to = tar.colorTheme.params.value as Color;
        const value = Color.interpolate(from, to, t);
        return {
            type: t <= 0.5 ? src.type : tar.type,
            colorTheme: { name: 'uniform', params: { value } },
            sizeTheme: t <= 0.5 ? src.sizeTheme : tar.sizeTheme,
        };
    }
});

type UnwindStructureAssemblyRepresentation3D = typeof UnwindStructureAssemblyRepresentation3D
const UnwindStructureAssemblyRepresentation3D = PluginStateTransform.BuiltIn({
    name: 'unwind-structure-assembly-representation-3d',
    display: 'Unwind Assembly 3D Representation',
    from: SO.Molecule.Structure.Representation3D,
    to: SO.Molecule.Structure.Representation3DState,
    params: { t: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }) }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }) {
        const structure = a.data.source.data;
        const unitTransforms = new StructureUnitTransforms(structure);
        unwindStructureAssembly(structure, unitTransforms, params.t);
        return new SO.Molecule.Structure.Representation3DState({
            state: { unitTransforms },
            initialState: { unitTransforms: new StructureUnitTransforms(structure) },
            info: structure,
            source: a
        }, { label: `Unwind T = ${params.t.toFixed(2)}` });
    },
    update({ a, b, newParams, oldParams }) {
        const structure = b.data.info as Structure;
        if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate;
        if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
        const unitTransforms = b.data.state.unitTransforms!;
        unwindStructureAssembly(structure, unitTransforms, newParams.t);
        b.label = `Unwind T = ${newParams.t.toFixed(2)}`;
        b.data.source = a;
        return StateTransformer.UpdateResult.Updated;
    }
});


type ExplodeStructureRepresentation3D = typeof ExplodeStructureRepresentation3D
const ExplodeStructureRepresentation3D = PluginStateTransform.BuiltIn({
    name: 'explode-structure-representation-3d',
    display: 'Explode 3D Representation',
    from: SO.Molecule.Structure.Representation3D,
    to: SO.Molecule.Structure.Representation3DState,
    params: { t: PD.Numeric(0, { min: 0, max: 1, step: 0.01 }) }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }) {
        const structure = a.data.source.data;
        const unitTransforms = new StructureUnitTransforms(structure.root);
        explodeStructure(structure, unitTransforms, params.t);
        return new SO.Molecule.Structure.Representation3DState({
            state: { unitTransforms },
            initialState: { unitTransforms: new StructureUnitTransforms(structure.root) },
            info: structure.root,
            source: a
        }, { label: `Explode T = ${params.t.toFixed(2)}` });
    },
    update({ a, b, newParams, oldParams }) {
        const structure = a.data.source.data;
        if (b.data.info !== structure.root) return StateTransformer.UpdateResult.Recreate;
        if (oldParams.t === newParams.t) return StateTransformer.UpdateResult.Unchanged;
        const unitTransforms = b.data.state.unitTransforms!;
        explodeStructure(structure.root, unitTransforms, newParams.t);
        b.label = `Explode T = ${newParams.t.toFixed(2)}`;
        b.data.source = a;
        return StateTransformer.UpdateResult.Updated;
    }
});

type OverpaintStructureRepresentation3DFromScript = typeof OverpaintStructureRepresentation3DFromScript
const OverpaintStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn({
    name: 'overpaint-structure-representation-3d-from-script',
    display: 'Overpaint 3D Representation',
    from: SO.Molecule.Structure.Representation3D,
    to: SO.Molecule.Structure.Representation3DState,
    params: {
        layers: PD.ObjectList({
            script: PD.Script(Script('(sel.atom.all)', 'mol-script')),
            color: PD.Color(ColorNames.blueviolet),
            clear: PD.Boolean(false)
        }, e => `${e.clear ? 'Clear' : Color.toRgbString(e.color)}`, {
            defaultValue: [{
                script: Script('(sel.atom.all)', 'mol-script'),
                color: ColorNames.blueviolet,
                clear: false
            }]
        }),
        alpha: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }, { label: 'Opacity' }),
    }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }) {
        const structure = a.data.source.data
        const overpaint = Overpaint.ofScript(params.layers, params.alpha, structure)

        return new SO.Molecule.Structure.Representation3DState({
            state: { overpaint },
            initialState: { overpaint: Overpaint.Empty },
            info: structure,
            source: a
        }, { label: `Overpaint (${overpaint.layers.length} Layers)` })
    },
    update({ a, b, newParams, oldParams }) {
        const oldStructure = b.data.info as Structure
        const newStructure = a.data.source.data
        if (newStructure !== oldStructure) return StateTransformer.UpdateResult.Recreate
        const oldOverpaint = b.data.state.overpaint!
        const newOverpaint = Overpaint.ofScript(newParams.layers, newParams.alpha, newStructure)
        if (oldParams.alpha === newParams.alpha && Overpaint.areEqual(oldOverpaint, newOverpaint)) return StateTransformer.UpdateResult.Unchanged

        b.data.state.overpaint = newOverpaint
        b.data.source = a
        b.label = `Overpaint (${newOverpaint.layers.length} Layers)`
        return StateTransformer.UpdateResult.Updated
    }
});

type OverpaintStructureRepresentation3DFromBundle = typeof OverpaintStructureRepresentation3DFromBundle
const OverpaintStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn({
    name: 'overpaint-structure-representation-3d-from-bundle',
    display: 'Overpaint 3D Representation',
    from: SO.Molecule.Structure.Representation3D,
    to: SO.Molecule.Structure.Representation3DState,
    params: {
        layers: PD.ObjectList({
            bundle: PD.Value<StructureElement.Bundle>(StructureElement.Bundle.Empty),
            color: PD.Color(ColorNames.blueviolet),
            clear: PD.Boolean(false)
        }, e => `${e.clear ? 'Clear' : Color.toRgbString(e.color)}`, {
            defaultValue: [{
                bundle: StructureElement.Bundle.Empty,
                color: ColorNames.blueviolet,
                clear: false
            }],
            isHidden: true
        }),
        alpha: PD.Numeric(1, { min: 0, max: 1, step: 0.01 }, { label: 'Opacity' }),
    }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }) {
        const structure = a.data.source.data
        const overpaint = Overpaint.ofBundle(params.layers, params.alpha, structure)

        return new SO.Molecule.Structure.Representation3DState({
            state: { overpaint },
            initialState: { overpaint: Overpaint.Empty },
            info: structure,
            source: a
        }, { label: `Overpaint (${overpaint.layers.length} Layers)` })
    },
    update({ a, b, newParams, oldParams }) {
        const oldStructure = b.data.info as Structure
        const newStructure = a.data.source.data
        if (newStructure !== oldStructure) return StateTransformer.UpdateResult.Recreate
        const oldOverpaint = b.data.state.overpaint!
        const newOverpaint = Overpaint.ofBundle(newParams.layers, newParams.alpha, newStructure)
        if (oldParams.alpha === newParams.alpha && Overpaint.areEqual(oldOverpaint, newOverpaint)) return StateTransformer.UpdateResult.Unchanged

        b.data.state.overpaint = newOverpaint
        b.data.source = a
        b.label = `Overpaint (${newOverpaint.layers.length} Layers)`
        return StateTransformer.UpdateResult.Updated
    }
});

type TransparencyStructureRepresentation3DFromScript = typeof TransparencyStructureRepresentation3DFromScript
const TransparencyStructureRepresentation3DFromScript = PluginStateTransform.BuiltIn({
    name: 'transparency-structure-representation-3d-from-script',
    display: 'Transparency 3D Representation',
    from: SO.Molecule.Structure.Representation3D,
    to: SO.Molecule.Structure.Representation3DState,
    params: {
        script: PD.Script(Script('(sel.atom.all)', 'mol-script')),
        value: PD.Numeric(0.75, { min: 0, max: 1, step: 0.01 }, { label: 'Transparency' }),
        variant: PD.Select('single', [['single', 'Single-layer'], ['multi', 'Multi-layer']] as ['single' | 'multi', string][])
    }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }) {
        const structure = a.data.source.data
        const transparency = Transparency.ofScript(params.script, params.value, params.variant, structure)

        return new SO.Molecule.Structure.Representation3DState({
            state: { transparency },
            initialState: { transparency: Transparency.Empty },
            info: structure,
            source: a
        }, { label: `Transparency (${transparency.value})` })
    },
    update({ a, b, newParams, oldParams }) {
        const structure = b.data.info as Structure
        if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate
        const oldTransparency = b.data.state.transparency!
        const newTransparency = Transparency.ofScript(newParams.script, newParams.value, newParams.variant, structure)
        if (Transparency.areEqual(oldTransparency, newTransparency)) return StateTransformer.UpdateResult.Unchanged

        b.data.state.transparency = newTransparency
        b.data.source = a
        b.label = `Transparency (${newTransparency.value})`
        return StateTransformer.UpdateResult.Updated
    }
});

type TransparencyStructureRepresentation3DFromBundle = typeof TransparencyStructureRepresentation3DFromBundle
const TransparencyStructureRepresentation3DFromBundle = PluginStateTransform.BuiltIn({
    name: 'transparency-structure-representation-3d-from-bundle',
    display: 'Transparency 3D Representation',
    from: SO.Molecule.Structure.Representation3D,
    to: SO.Molecule.Structure.Representation3DState,
    params: {
        bundle: PD.Value<StructureElement.Bundle>(StructureElement.Bundle.Empty),
        value: PD.Numeric(0.75, { min: 0, max: 1, step: 0.01 }, { label: 'Transparency' }),
        variant: PD.Select('single', [['single', 'Single-layer'], ['multi', 'Multi-layer']] as ['single' | 'multi', string][])
    }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }) {
        const structure = a.data.source.data
        const transparency = Transparency.ofBundle(params.bundle, params.value, params.variant, structure)

        return new SO.Molecule.Structure.Representation3DState({
            state: { transparency },
            initialState: { transparency: Transparency.Empty },
            info: structure,
            source: a
        }, { label: `Transparency (${transparency.value})` })
    },
    update({ a, b, newParams, oldParams }) {
        const structure = b.data.info as Structure
        if (a.data.source.data !== structure) return StateTransformer.UpdateResult.Recreate
        const oldTransparency = b.data.state.transparency!
        const newTransparency = Transparency.ofBundle(newParams.bundle, newParams.value, newParams.variant, structure)
        if (Transparency.areEqual(oldTransparency, newTransparency)) return StateTransformer.UpdateResult.Unchanged

        b.data.state.transparency = newTransparency
        b.data.source = a
        b.label = `Transparency (${newTransparency.value})`
        return StateTransformer.UpdateResult.Updated
    }
});

//

export namespace VolumeRepresentation3DHelpers {
    export function getDefaultParams(ctx: PluginContext, name: BuiltInVolumeRepresentationsName, volume: VolumeData, volumeParams?: Partial<PD.Values<VolumeParams>>): StateTransformer.Params<VolumeRepresentation3D> {
        const type = ctx.volumeRepresentation.registry.get(name);

        const themeDataCtx = { volume };
        const colorParams = ctx.volumeRepresentation.themeCtx.colorThemeRegistry.get(type.defaultColorTheme.name).getParams(themeDataCtx);
        const sizeParams = ctx.volumeRepresentation.themeCtx.sizeThemeRegistry.get(type.defaultSizeTheme.name).getParams(themeDataCtx)
        const volumeDefaultParams = PD.getDefaultValues(type.getParams(ctx.volumeRepresentation.themeCtx, volume))
        return ({
            type: { name, params: volumeParams ? { ...volumeDefaultParams, ...volumeParams } : volumeDefaultParams },
            colorTheme: { name: type.defaultColorTheme.name, params: PD.getDefaultValues(colorParams) },
            sizeTheme: { name: type.defaultSizeTheme.name, params: PD.getDefaultValues(sizeParams) }
        })
    }

    export function getDefaultParamsStatic(ctx: PluginContext, name: BuiltInVolumeRepresentationsName, volumeParams?: Partial<PD.Values<PD.Params>>, colorName?: BuiltInColorThemeName, colorParams?: Partial<ColorTheme.Props>, sizeName?: BuiltInSizeThemeName, sizeParams?: Partial<SizeTheme.Props>): StateTransformer.Params<VolumeRepresentation3D> {
        const type = ctx.volumeRepresentation.registry.get(name);
        const colorType = ctx.volumeRepresentation.themeCtx.colorThemeRegistry.get(colorName || type.defaultColorTheme.name);
        const sizeType = ctx.volumeRepresentation.themeCtx.sizeThemeRegistry.get(sizeName || type.defaultSizeTheme.name);
        return ({
            type: { name, params: volumeParams ? { ...type.defaultValues, ...volumeParams } : type.defaultValues },
            colorTheme: { name: type.defaultColorTheme.name, params: colorParams ? { ...colorType.defaultValues, ...colorParams } : colorType.defaultValues },
            sizeTheme: { name: type.defaultSizeTheme.name, params: sizeParams ? { ...sizeType.defaultValues, ...sizeParams } : sizeType.defaultValues }
        })
    }

    export function getDescription(props: any) {
        return props.isoValue && VolumeIsoValue.toString(props.isoValue)
    }
}
type VolumeRepresentation3D = typeof VolumeRepresentation3D
const VolumeRepresentation3D = PluginStateTransform.BuiltIn({
    name: 'volume-representation-3d',
    display: '3D Representation',
    from: SO.Volume.Data,
    to: SO.Volume.Representation3D,
    params: (a, ctx: PluginContext) => {
        const { registry, themeCtx } = ctx.volumeRepresentation
        const type = registry.get(registry.default.name);

        if (!a) {
            return {
                type: PD.Mapped<any>(
                    registry.default.name,
                    registry.types,
                    name => PD.Group<any>(registry.get(name).getParams(themeCtx, VolumeData.One ))),
                colorTheme: PD.Mapped<any>(
                    type.defaultColorTheme.name,
                    themeCtx.colorThemeRegistry.types,
                    name => PD.Group<any>(themeCtx.colorThemeRegistry.get(name).getParams({ volume: VolumeData.One }))
                ),
                sizeTheme: PD.Mapped<any>(
                    type.defaultSizeTheme.name,
                    themeCtx.sizeThemeRegistry.types,
                    name => PD.Group<any>(themeCtx.sizeThemeRegistry.get(name).getParams({ volume: VolumeData.One }))
                )
            }
        }

        const dataCtx = { volume: a.data }
        return ({
            type: PD.Mapped<any>(
                registry.default.name,
                registry.types,
                name => PD.Group<any>(registry.get(name).getParams(themeCtx, a.data))),
            colorTheme: PD.Mapped<any>(
                type.defaultColorTheme.name,
                themeCtx.colorThemeRegistry.getApplicableTypes(dataCtx),
                name => PD.Group<any>(themeCtx.colorThemeRegistry.get(name).getParams(dataCtx))
            ),
            sizeTheme: PD.Mapped<any>(
                type.defaultSizeTheme.name,
                themeCtx.sizeThemeRegistry.types,
                name => PD.Group<any>(themeCtx.sizeThemeRegistry.get(name).getParams(dataCtx))
            )
        })
    }
})({
    canAutoUpdate({ oldParams, newParams }) {
        // TODO: allow for small molecules
        return oldParams.type.name === newParams.type.name;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Volume Representation', async ctx => {
            const propertyCtx = { runtime: ctx, fetch: plugin.fetch }
            const provider = plugin.volumeRepresentation.registry.get(params.type.name)
            if (provider.ensureCustomProperties) await provider.ensureCustomProperties.attach(propertyCtx, a.data)
            const props = params.type.params || {}
            const repr = provider.factory({ webgl: plugin.canvas3d?.webgl, ...plugin.volumeRepresentation.themeCtx }, provider.getParams)
            repr.setTheme(Theme.create(plugin.volumeRepresentation.themeCtx, { volume: a.data }, params))
            // TODO set initial state, repr.setState({})
            await repr.createOrUpdate(props, a.data).runInContext(ctx);
            return new SO.Volume.Representation3D({ repr, source: a }, { label: provider.label, description: VolumeRepresentation3DHelpers.getDescription(props) });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Volume Representation', async ctx => {
            if (newParams.type.name !== oldParams.type.name) {
                const oldProvider = plugin.volumeRepresentation.registry.get(oldParams.type.name);
                if (oldProvider.ensureCustomProperties) {
                    const propertyCtx = { runtime: ctx, fetch: plugin.fetch }
                    oldProvider.ensureCustomProperties.detach(propertyCtx, a.data)
                }
                return StateTransformer.UpdateResult.Recreate;
            }
            const props = { ...b.data.repr.props, ...newParams.type.params }
            b.data.repr.setTheme(Theme.create(plugin.volumeRepresentation.themeCtx, { volume: a.data }, newParams))
            await b.data.repr.createOrUpdate(props, a.data).runInContext(ctx);
            b.description = VolumeRepresentation3DHelpers.getDescription(props)
            return StateTransformer.UpdateResult.Updated;
        });
    }
});

//

export { ShapeRepresentation3D }
type ShapeRepresentation3D = typeof ShapeRepresentation3D
const ShapeRepresentation3D = PluginStateTransform.BuiltIn({
    name: 'shape-representation-3d',
    display: '3D Representation',
    from: SO.Shape.Provider,
    to: SO.Shape.Representation3D,
    params: (a, ctx: PluginContext) => {
        return a ? a.data.params : BaseGeometry.Params
    }
})({
    canAutoUpdate() {
        return true;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Shape Representation', async ctx => {
            const props = { ...PD.getDefaultValues(a.data.params), params }
            const repr = ShapeRepresentation(a.data.getShape, a.data.geometryUtils)
            // TODO set initial state, repr.setState({})
            await repr.createOrUpdate(props, a.data.data).runInContext(ctx);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: a.data.label });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Shape Representation', async ctx => {
            const props = { ...b.data.repr.props, ...newParams }
            await b.data.repr.createOrUpdate(props, a.data.data).runInContext(ctx);
            return StateTransformer.UpdateResult.Updated;
        });
    }
});

export { ModelUnitcell3D }
type ModelUnitcell3D = typeof ModelUnitcell3D
const ModelUnitcell3D = PluginStateTransform.BuiltIn({
    name: 'model-unitcell-3d',
    display: 'Model Unitcell',
    from: SO.Molecule.Model,
    to: SO.Shape.Representation3D,
    params: {
        ...UnitcellParams,
    }
})({
    isApplicable: a => !!ModelSymmetry.Provider.get(a.data),
    canAutoUpdate({ oldParams, newParams }) {
        return true;
    },
    apply({ a, params }) {
        return Task.create('Model Unitcell', async ctx => {
            const symmetry = ModelSymmetry.Provider.get(a.data)
            if (!symmetry) return StateObject.Null
            const repr = await getUnitcellRepresentation(ctx, a.data, params);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: `Unitcell`, description: symmetry.spacegroup.name });
        });
    },
    update({ a, b, newParams }) {
        return Task.create('Model Unitcell', async ctx => {
            await getUnitcellRepresentation(ctx, a.data, newParams, b.data.repr);
            return StateTransformer.UpdateResult.Updated;
        });
    }
});

export { StructureSelectionsDistance3D }
type StructureSelectionsDistance3D = typeof StructureSelectionsDistance3D
const StructureSelectionsDistance3D = PluginStateTransform.BuiltIn({
    name: 'structure-selections-distance-3d',
    display: '3D Distance',
    from: SO.Molecule.Structure.Selections,
    to: SO.Shape.Representation3D,
    params: {
        ...DistanceParams,
    }
})({
    canAutoUpdate({ oldParams, newParams }) {
        return true;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Structure Distance', async ctx => {
            const data = getDistanceDataFromStructureSelections(a.data)
            const repr = DistanceRepresentation({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, () => DistanceParams)
            await repr.createOrUpdate(params, data).runInContext(ctx);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: `Distance` });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Structure Distance', async ctx => {
            const props = { ...b.data.repr.props, ...newParams }
            const data = getDistanceDataFromStructureSelections(a.data)
            await b.data.repr.createOrUpdate(props, data).runInContext(ctx);
            b.data.source = a
            return StateTransformer.UpdateResult.Updated;
        });
    },
});

export { StructureSelectionsAngle3D }
type StructureSelectionsAngle3D = typeof StructureSelectionsAngle3D
const StructureSelectionsAngle3D = PluginStateTransform.BuiltIn({
    name: 'structure-selections-angle-3d',
    display: '3D Angle',
    from: SO.Molecule.Structure.Selections,
    to: SO.Shape.Representation3D,
    params: {
        ...AngleParams,
    }
})({
    canAutoUpdate({ oldParams, newParams }) {
        return true;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Structure Angle', async ctx => {
            const data = getAngleDataFromStructureSelections(a.data)
            const repr = AngleRepresentation({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, () => AngleParams)
            await repr.createOrUpdate(params, data).runInContext(ctx);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: `Angle` });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Structure Angle', async ctx => {
            const props = { ...b.data.repr.props, ...newParams }
            const data = getAngleDataFromStructureSelections(a.data)
            await b.data.repr.createOrUpdate(props, data).runInContext(ctx);
            b.data.source = a
            return StateTransformer.UpdateResult.Updated;
        });
    },
});

export { StructureSelectionsDihedral3D }
type StructureSelectionsDihedral3D = typeof StructureSelectionsDihedral3D
const StructureSelectionsDihedral3D = PluginStateTransform.BuiltIn({
    name: 'structure-selections-dihedral-3d',
    display: '3D Dihedral',
    from: SO.Molecule.Structure.Selections,
    to: SO.Shape.Representation3D,
    params: {
        ...DihedralParams,
    }
})({
    canAutoUpdate({ oldParams, newParams }) {
        return true;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Structure Dihedral', async ctx => {
            const data = getDihedralDataFromStructureSelections(a.data)
            const repr = DihedralRepresentation({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, () => DihedralParams)
            await repr.createOrUpdate(params, data).runInContext(ctx);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: `Dihedral` });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Structure Dihedral', async ctx => {
            const props = { ...b.data.repr.props, ...newParams }
            const data = getDihedralDataFromStructureSelections(a.data)
            await b.data.repr.createOrUpdate(props, data).runInContext(ctx);
            b.data.source = a
            return StateTransformer.UpdateResult.Updated;
        });
    },
});

export { StructureSelectionsLabel3D }
type StructureSelectionsLabel3D = typeof StructureSelectionsLabel3D
const StructureSelectionsLabel3D = PluginStateTransform.BuiltIn({
    name: 'structure-selections-label-3d',
    display: '3D Label',
    from: SO.Molecule.Structure.Selections,
    to: SO.Shape.Representation3D,
    params: {
        ...LabelParams,
    }
})({
    canAutoUpdate({ oldParams, newParams }) {
        return true;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Structure Label', async ctx => {
            const data = getLabelDataFromStructureSelections(a.data)
            const repr = LabelRepresentation({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, () => LabelParams)
            await repr.createOrUpdate(params, data).runInContext(ctx);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: `Label` });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Structure Label', async ctx => {
            const props = { ...b.data.repr.props, ...newParams }
            const data = getLabelDataFromStructureSelections(a.data)
            await b.data.repr.createOrUpdate(props, data).runInContext(ctx);
            b.data.source = a
            return StateTransformer.UpdateResult.Updated;
        });
    },
});

export { StructureSelectionsOrientation3D }
type StructureSelectionsOrientation3D = typeof StructureSelectionsOrientation3D
const StructureSelectionsOrientation3D = PluginStateTransform.BuiltIn({
    name: 'structure-selections-orientation-3d',
    display: '3D Orientation',
    from: SO.Molecule.Structure.Selections,
    to: SO.Shape.Representation3D,
    params: {
        ...OrientationParams,
    }
})({
    canAutoUpdate({ oldParams, newParams }) {
        return true;
    },
    apply({ a, params }, plugin: PluginContext) {
        return Task.create('Structure Orientation', async ctx => {
            const data = getOrientationDataFromStructureSelections(a.data)
            const repr = OrientationRepresentation({ webgl: plugin.canvas3d?.webgl, ...plugin.structureRepresentation.themeCtx }, () => OrientationParams)
            await repr.createOrUpdate(params, data).runInContext(ctx);
            return new SO.Shape.Representation3D({ repr, source: a }, { label: `Orientation` });
        });
    },
    update({ a, b, oldParams, newParams }, plugin: PluginContext) {
        return Task.create('Structure Orientation', async ctx => {
            const props = { ...b.data.repr.props, ...newParams }
            const data = getOrientationDataFromStructureSelections(a.data)
            await b.data.repr.createOrUpdate(props, data).runInContext(ctx);
            b.data.source = a
            return StateTransformer.UpdateResult.Updated;
        });
    },
});