molstar 3.0.0-dev.6 → 3.0.0

package/lib/commonjs/mol-theme/color/illustrative.d.ts

@@ -1,45 +1,116 @@
 /**
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
+import { Color } from '../../mol-util/color';
 import { ColorTheme } from '../color';
 import { ParamDefinition as PD } from '../../mol-util/param-definition';
 import { ThemeDataContext } from '../theme';
 export declare const IllustrativeColorThemeParams: {
+    style: PD.Mapped<PD.NamedParams<PD.Normalize<{
+        value: Color;
+    }>, "uniform"> | PD.NamedParams<PD.Normalize<{
+        palette: PD.NamedParams<PD.Normalize<{
+            maxCount: any;
+            hue: any;
+            chroma: any;
+            luminance: any;
+            clusteringStepCount: any;
+            minSampleCount: any;
+        }>, "generate"> | PD.NamedParams<PD.Normalize<{
+            list: any;
+        }>, "colors">;
+        asymId: "label" | "auth";
+    }>, "chain-id"> | PD.NamedParams<PD.Normalize<{
+        saturation: number;
+        lightness: number;
+        colors: PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+            water: any;
+            ion: any;
+            protein: any;
+            RNA: any;
+            DNA: any;
+            PNA: any;
+            saccharide: any;
+        }>, "custom">;
+    }>, "molecule-type"> | PD.NamedParams<PD.Normalize<{
+        palette: PD.NamedParams<PD.Normalize<{
+            maxCount: any;
+            hue: any;
+            chroma: any;
+            luminance: any;
+            clusteringStepCount: any;
+            minSampleCount: any;
+        }>, "generate"> | PD.NamedParams<PD.Normalize<{
+            list: any;
+        }>, "colors">;
+    }>, "entity-source"> | PD.NamedParams<PD.Normalize<{
+        palette: PD.NamedParams<PD.Normalize<{
+            maxCount: any;
+            hue: any;
+            chroma: any;
+            luminance: any;
+            clusteringStepCount: any;
+            minSampleCount: any;
+        }>, "generate"> | PD.NamedParams<PD.Normalize<{
+            list: any;
+        }>, "colors">;
+    }>, "entity-id">>;
     carbonLightness: PD.Numeric;
-    palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
-        maxCount: number;
-        hue: [number, number];
-        chroma: [number, number];
-        luminance: [number, number];
-        clusteringStepCount: number;
-        minSampleCount: number;
-    }>, "generate"> | PD.NamedParams<PD.Normalize<{
-        list: {
-            kind: "set" | "interpolate";
-            colors: import("../../mol-util/color/color").ColorListEntry[];
-        };
-    }>, "colors">>;
-    asymId: PD.Select<"label" | "auth">;
 };
 export declare type IllustrativeColorThemeParams = typeof IllustrativeColorThemeParams;
 export declare function getIllustrativeColorThemeParams(ctx: ThemeDataContext): {
+    style: PD.Mapped<PD.NamedParams<PD.Normalize<{
+        value: Color;
+    }>, "uniform"> | PD.NamedParams<PD.Normalize<{
+        palette: PD.NamedParams<PD.Normalize<{
+            maxCount: any;
+            hue: any;
+            chroma: any;
+            luminance: any;
+            clusteringStepCount: any;
+            minSampleCount: any;
+        }>, "generate"> | PD.NamedParams<PD.Normalize<{
+            list: any;
+        }>, "colors">;
+        asymId: "label" | "auth";
+    }>, "chain-id"> | PD.NamedParams<PD.Normalize<{
+        saturation: number;
+        lightness: number;
+        colors: PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+            water: any;
+            ion: any;
+            protein: any;
+            RNA: any;
+            DNA: any;
+            PNA: any;
+            saccharide: any;
+        }>, "custom">;
+    }>, "molecule-type"> | PD.NamedParams<PD.Normalize<{
+        palette: PD.NamedParams<PD.Normalize<{
+            maxCount: any;
+            hue: any;
+            chroma: any;
+            luminance: any;
+            clusteringStepCount: any;
+            minSampleCount: any;
+        }>, "generate"> | PD.NamedParams<PD.Normalize<{
+            list: any;
+        }>, "colors">;
+    }>, "entity-source"> | PD.NamedParams<PD.Normalize<{
+        palette: PD.NamedParams<PD.Normalize<{
+            maxCount: any;
+            hue: any;
+            chroma: any;
+            luminance: any;
+            clusteringStepCount: any;
+            minSampleCount: any;
+        }>, "generate"> | PD.NamedParams<PD.Normalize<{
+            list: any;
+        }>, "colors">;
+    }>, "entity-id">>;
     carbonLightness: PD.Numeric;
-    palette: PD.Mapped<PD.NamedParams<PD.Normalize<{
-        maxCount: number;
-        hue: [number, number];
-        chroma: [number, number];
-        luminance: [number, number];
-        clusteringStepCount: number;
-        minSampleCount: number;
-    }>, "generate"> | PD.NamedParams<PD.Normalize<{
-        list: {
-            kind: "set" | "interpolate";
-            colors: import("../../mol-util/color/color").ColorListEntry[];
-        };
-    }>, "colors">>;
-    asymId: PD.Select<"label" | "auth">;
 };
 export declare function IllustrativeColorTheme(ctx: ThemeDataContext, props: PD.Values<IllustrativeColorThemeParams>): ColorTheme<IllustrativeColorThemeParams>;
 export declare const IllustrativeColorThemeProvider: ColorTheme.Provider<IllustrativeColorThemeParams, 'illustrative'>;

package/lib/commonjs/mol-theme/color/illustrative.js

@@ -1,27 +1,46 @@
 "use strict";
 /**
- * Copyright (c) 2019-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2019-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.IllustrativeColorThemeProvider = exports.IllustrativeColorTheme = exports.getIllustrativeColorThemeParams = exports.IllustrativeColorThemeParams = void 0;
-var tslib_1 = require("tslib");
 var color_1 = require("../../mol-util/color");
 var structure_1 = require("../../mol-model/structure");
 var param_definition_1 = require("../../mol-util/param-definition");
 var chain_id_1 = require("./chain-id");
+var uniform_1 = require("./uniform");
+var type_helpers_1 = require("../../mol-util/type-helpers");
+var entity_id_1 = require("./entity-id");
+var molecule_type_1 = require("./molecule-type");
+var entity_source_1 = require("./entity-source");
 var DefaultIllustrativeColor = (0, color_1.Color)(0xEEEEEE);
-var Description = "Assigns an illustrative color that gives every chain a unique color with lighter carbons (inspired by David Goodsell's Molecule of the Month style).";
-exports.IllustrativeColorThemeParams = (0, tslib_1.__assign)((0, tslib_1.__assign)({}, chain_id_1.ChainIdColorThemeParams), { carbonLightness: param_definition_1.ParamDefinition.Numeric(0.8, { min: -6, max: 6, step: 0.1 }) });
+var Description = "Assigns an illustrative color that gives every chain a color based on the choosen style but with lighter carbons (inspired by David Goodsell's Molecule of the Month style).";
+exports.IllustrativeColorThemeParams = {
+    style: param_definition_1.ParamDefinition.MappedStatic('entity-id', {
+        uniform: param_definition_1.ParamDefinition.Group(uniform_1.UniformColorThemeParams),
+        'chain-id': param_definition_1.ParamDefinition.Group(chain_id_1.ChainIdColorThemeParams),
+        'entity-id': param_definition_1.ParamDefinition.Group(entity_id_1.EntityIdColorThemeParams),
+        'entity-source': param_definition_1.ParamDefinition.Group(entity_source_1.EntitySourceColorThemeParams),
+        'molecule-type': param_definition_1.ParamDefinition.Group(molecule_type_1.MoleculeTypeColorThemeParams),
+    }),
+    carbonLightness: param_definition_1.ParamDefinition.Numeric(0.8, { min: -6, max: 6, step: 0.1 })
+};
 function getIllustrativeColorThemeParams(ctx) {
-    return exports.IllustrativeColorThemeParams; // TODO return copy
+    var params = param_definition_1.ParamDefinition.clone(exports.IllustrativeColorThemeParams);
+    return params;
 }
 exports.getIllustrativeColorThemeParams = getIllustrativeColorThemeParams;
 function IllustrativeColorTheme(ctx, props) {
-    var _a = (0, chain_id_1.ChainIdColorTheme)(ctx, props), chainIdColor = _a.color, legend = _a.legend;
+    var _a = props.style.name === 'uniform' ? (0, uniform_1.UniformColorTheme)(ctx, props.style.params) :
+        props.style.name === 'chain-id' ? (0, chain_id_1.ChainIdColorTheme)(ctx, props.style.params) :
+            props.style.name === 'entity-id' ? (0, entity_id_1.EntityIdColorTheme)(ctx, props.style.params) :
+                props.style.name === 'entity-source' ? (0, entity_source_1.EntitySourceColorTheme)(ctx, props.style.params) :
+                    props.style.name === 'molecule-type' ? (0, molecule_type_1.MoleculeTypeColorTheme)(ctx, props.style.params) :
+                        (0, type_helpers_1.assertUnreachable)(props.style), styleColor = _a.color, legend = _a.legend;
     function illustrativeColor(location, typeSymbol) {
-        var baseColor = chainIdColor(location, false);
+        var baseColor = styleColor(location, false);
         return typeSymbol === 'C' ? color_1.Color.lighten(baseColor, props.carbonLightness) : baseColor;
     }
     function color(location) {

package/lib/commonjs/mol-theme/color/molecule-type.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -21,11 +21,29 @@ export declare type MoleculeTypeColors = typeof MoleculeTypeColors;
 export declare const MoleculeTypeColorThemeParams: {
     saturation: PD.Numeric;
     lightness: PD.Numeric;
+    colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+        water: Color;
+        ion: Color;
+        protein: Color;
+        RNA: Color;
+        DNA: Color;
+        PNA: Color;
+        saccharide: Color;
+    }>, "custom">>;
 };
 export declare type MoleculeTypeColorThemeParams = typeof MoleculeTypeColorThemeParams;
 export declare function getMoleculeTypeColorThemeParams(ctx: ThemeDataContext): {
     saturation: PD.Numeric;
     lightness: PD.Numeric;
+    colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+        water: Color;
+        ion: Color;
+        protein: Color;
+        RNA: Color;
+        DNA: Color;
+        PNA: Color;
+        saccharide: Color;
+    }>, "custom">>;
 };
 export declare function moleculeTypeColor(colorMap: MoleculeTypeColors, unit: Unit, element: ElementIndex): Color;
 export declare function MoleculeTypeColorTheme(ctx: ThemeDataContext, props: PD.Values<MoleculeTypeColorThemeParams>): ColorTheme<MoleculeTypeColorThemeParams>;

package/lib/commonjs/mol-theme/color/molecule-type.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -12,6 +12,7 @@ var util_1 = require("../../mol-model/structure/util");
 var param_definition_1 = require("../../mol-util/param-definition");
 var legend_1 = require("../../mol-util/legend");
 var color_2 = require("../../mol-util/color/color");
+var params_1 = require("../../mol-util/color/params");
 exports.MoleculeTypeColors = (0, color_1.ColorMap)({
     water: 0x386cb0,
     ion: 0xf0027f,
@@ -25,7 +26,11 @@ var DefaultMoleculeTypeColor = (0, color_1.Color)(0xffff99);
 var Description = 'Assigns a color based on the molecule type of a residue.';
 exports.MoleculeTypeColorThemeParams = {
     saturation: param_definition_1.ParamDefinition.Numeric(0, { min: -6, max: 6, step: 0.1 }),
-    lightness: param_definition_1.ParamDefinition.Numeric(0, { min: -6, max: 6, step: 0.1 })
+    lightness: param_definition_1.ParamDefinition.Numeric(0, { min: -6, max: 6, step: 0.1 }),
+    colors: param_definition_1.ParamDefinition.MappedStatic('default', {
+        'default': param_definition_1.ParamDefinition.EmptyGroup(),
+        'custom': param_definition_1.ParamDefinition.Group((0, params_1.getColorMapParams)(exports.MoleculeTypeColors))
+    })
 };
 function getMoleculeTypeColorThemeParams(ctx) {
     return exports.MoleculeTypeColorThemeParams; // TODO return copy
@@ -46,7 +51,7 @@ function moleculeTypeColor(colorMap, unit, element) {
 }
 exports.moleculeTypeColor = moleculeTypeColor;
 function MoleculeTypeColorTheme(ctx, props) {
-    var colorMap = (0, color_2.getAdjustedColorMap)(exports.MoleculeTypeColors, props.saturation, props.lightness);
+    var colorMap = (0, color_2.getAdjustedColorMap)(props.colors.name === 'default' ? exports.MoleculeTypeColors : props.colors.params, props.saturation, props.lightness);
     function color(location) {
         if (structure_1.StructureElement.Location.is(location)) {
             return moleculeTypeColor(colorMap, location.unit, location.element);
@@ -62,8 +67,8 @@ function MoleculeTypeColorTheme(ctx, props) {
         color: color,
         props: props,
         description: Description,
-        legend: (0, legend_1.TableLegend)(Object.keys(exports.MoleculeTypeColors).map(function (name) {
-            return [name, exports.MoleculeTypeColors[name]];
+        legend: (0, legend_1.TableLegend)(Object.keys(colorMap).map(function (name) {
+            return [name, colorMap[name]];
         }).concat([['Other/unknown', DefaultMoleculeTypeColor]]))
     };
 }

package/lib/commonjs/mol-theme/color/residue-name.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -49,11 +49,87 @@ export declare type ResidueNameColors = typeof ResidueNameColors;
 export declare const ResidueNameColorThemeParams: {
     saturation: PD.Numeric;
     lightness: PD.Numeric;
+    colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+        ALA: Color;
+        ARG: Color;
+        ASN: Color;
+        ASP: Color;
+        CYS: Color;
+        GLN: Color;
+        GLU: Color;
+        GLY: Color;
+        HIS: Color;
+        ILE: Color;
+        LEU: Color;
+        LYS: Color;
+        MET: Color;
+        PHE: Color;
+        PRO: Color;
+        SER: Color;
+        THR: Color;
+        TRP: Color;
+        TYR: Color;
+        VAL: Color;
+        A: Color;
+        G: Color;
+        I: Color;
+        C: Color;
+        T: Color;
+        U: Color;
+        DA: Color;
+        DG: Color;
+        DI: Color;
+        DC: Color;
+        DT: Color;
+        DU: Color;
+        APN: Color;
+        GPN: Color;
+        CPN: Color;
+        TPN: Color;
+    }>, "custom">>;
 };
 export declare type ResidueNameColorThemeParams = typeof ResidueNameColorThemeParams;
 export declare function getResidueNameColorThemeParams(ctx: ThemeDataContext): {
     saturation: PD.Numeric;
     lightness: PD.Numeric;
+    colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+        ALA: Color;
+        ARG: Color;
+        ASN: Color;
+        ASP: Color;
+        CYS: Color;
+        GLN: Color;
+        GLU: Color;
+        GLY: Color;
+        HIS: Color;
+        ILE: Color;
+        LEU: Color;
+        LYS: Color;
+        MET: Color;
+        PHE: Color;
+        PRO: Color;
+        SER: Color;
+        THR: Color;
+        TRP: Color;
+        TYR: Color;
+        VAL: Color;
+        A: Color;
+        G: Color;
+        I: Color;
+        C: Color;
+        T: Color;
+        U: Color;
+        DA: Color;
+        DG: Color;
+        DI: Color;
+        DC: Color;
+        DT: Color;
+        DU: Color;
+        APN: Color;
+        GPN: Color;
+        CPN: Color;
+        TPN: Color;
+    }>, "custom">>;
 };
 export declare function residueNameColor(colorMap: ResidueNameColors, residueName: string): Color;
 export declare function ResidueNameColorTheme(ctx: ThemeDataContext, props: PD.Values<ResidueNameColorThemeParams>): ColorTheme<ResidueNameColorThemeParams>;

package/lib/commonjs/mol-theme/color/residue-name.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -11,6 +11,7 @@ var structure_1 = require("../../mol-model/structure");
 var param_definition_1 = require("../../mol-util/param-definition");
 var legend_1 = require("../../mol-util/legend");
 var color_2 = require("../../mol-util/color/color");
+var params_1 = require("../../mol-util/color/params");
 // protein colors from Jmol http://jmol.sourceforge.net/jscolors/
 exports.ResidueNameColors = (0, color_1.ColorMap)({
     // standard amino acids
@@ -58,7 +59,11 @@ var DefaultResidueNameColor = (0, color_1.Color)(0xFF00FF);
 var Description = 'Assigns a color to every residue according to its name.';
 exports.ResidueNameColorThemeParams = {
     saturation: param_definition_1.ParamDefinition.Numeric(0, { min: -6, max: 6, step: 0.1 }),
-    lightness: param_definition_1.ParamDefinition.Numeric(1, { min: -6, max: 6, step: 0.1 })
+    lightness: param_definition_1.ParamDefinition.Numeric(1, { min: -6, max: 6, step: 0.1 }),
+    colors: param_definition_1.ParamDefinition.MappedStatic('default', {
+        'default': param_definition_1.ParamDefinition.EmptyGroup(),
+        'custom': param_definition_1.ParamDefinition.Group((0, params_1.getColorMapParams)(exports.ResidueNameColors))
+    })
 };
 function getResidueNameColorThemeParams(ctx) {
     return exports.ResidueNameColorThemeParams; // TODO return copy
@@ -82,7 +87,7 @@ function residueNameColor(colorMap, residueName) {
 }
 exports.residueNameColor = residueNameColor;
 function ResidueNameColorTheme(ctx, props) {
-    var colorMap = (0, color_2.getAdjustedColorMap)(exports.ResidueNameColors, props.saturation, props.lightness);
+    var colorMap = (0, color_2.getAdjustedColorMap)(props.colors.name === 'default' ? exports.ResidueNameColors : props.colors.params, props.saturation, props.lightness);
     function color(location) {
         if (structure_1.StructureElement.Location.is(location)) {
             if (structure_1.Unit.isAtomic(location.unit)) {
@@ -115,8 +120,8 @@ function ResidueNameColorTheme(ctx, props) {
         color: color,
         props: props,
         description: Description,
-        legend: (0, legend_1.TableLegend)(Object.keys(exports.ResidueNameColors).map(function (name) {
-            return [name, exports.ResidueNameColors[name]];
+        legend: (0, legend_1.TableLegend)(Object.keys(colorMap).map(function (name) {
+            return [name, colorMap[name]];
         }).concat([['Unknown', DefaultResidueNameColor]]))
     };
 }

package/lib/commonjs/mol-theme/color/secondary-structure.d.ts

@@ -1,5 +1,5 @@
 /**
- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -26,11 +26,37 @@ export declare type SecondaryStructureColors = typeof SecondaryStructureColors;
 export declare const SecondaryStructureColorThemeParams: {
     saturation: PD.Numeric;
     lightness: PD.Numeric;
+    colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+        alphaHelix: Color;
+        threeTenHelix: Color;
+        piHelix: Color;
+        betaTurn: Color;
+        betaStrand: Color;
+        coil: Color;
+        bend: Color;
+        turn: Color;
+        dna: Color;
+        rna: Color;
+        carbohydrate: Color;
+    }>, "custom">>;
 };
 export declare type SecondaryStructureColorThemeParams = typeof SecondaryStructureColorThemeParams;
 export declare function getSecondaryStructureColorThemeParams(ctx: ThemeDataContext): {
     saturation: PD.Numeric;
     lightness: PD.Numeric;
+    colors: PD.Mapped<PD.NamedParams<PD.Normalize<unknown>, "default"> | PD.NamedParams<PD.Normalize<{
+        alphaHelix: Color;
+        threeTenHelix: Color;
+        piHelix: Color;
+        betaTurn: Color;
+        betaStrand: Color;
+        coil: Color;
+        bend: Color;
+        turn: Color;
+        dna: Color;
+        rna: Color;
+        carbohydrate: Color;
+    }>, "custom">>;
 };
 export declare function secondaryStructureColor(colorMap: SecondaryStructureColors, unit: Unit, element: ElementIndex, computedSecondaryStructure?: SecondaryStructureValue): Color;
 export declare function SecondaryStructureColorTheme(ctx: ThemeDataContext, props: PD.Values<SecondaryStructureColorThemeParams>): ColorTheme<SecondaryStructureColorThemeParams>;

package/lib/commonjs/mol-theme/color/secondary-structure.js

@@ -1,6 +1,6 @@
 "use strict";
 /**
- * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ * Copyright (c) 2018-2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
  *
  * @author Alexander Rose <alexander.rose@weirdbyte.de>
  */
@@ -14,6 +14,7 @@ var param_definition_1 = require("../../mol-util/param-definition");
 var legend_1 = require("../../mol-util/legend");
 var secondary_structure_1 = require("../../mol-model-props/computed/secondary-structure");
 var color_2 = require("../../mol-util/color/color");
+var params_1 = require("../../mol-util/color/params");
 var util_2 = require("../../mol-data/util");
 // from Jmol http://jmol.sourceforge.net/jscolors/ (shapely)
 var SecondaryStructureColors = (0, color_1.ColorMap)({
@@ -33,7 +34,11 @@ var DefaultSecondaryStructureColor = (0, color_1.Color)(0x808080);
 var Description = 'Assigns a color based on the type of secondary structure and basic molecule type.';
 exports.SecondaryStructureColorThemeParams = {
     saturation: param_definition_1.ParamDefinition.Numeric(-1, { min: -6, max: 6, step: 0.1 }),
-    lightness: param_definition_1.ParamDefinition.Numeric(0, { min: -6, max: 6, step: 0.1 })
+    lightness: param_definition_1.ParamDefinition.Numeric(0, { min: -6, max: 6, step: 0.1 }),
+    colors: param_definition_1.ParamDefinition.MappedStatic('default', {
+        'default': param_definition_1.ParamDefinition.EmptyGroup(),
+        'custom': param_definition_1.ParamDefinition.Group((0, params_1.getColorMapParams)(SecondaryStructureColors))
+    })
 };
 function getSecondaryStructureColorThemeParams(ctx) {
     return exports.SecondaryStructureColorThemeParams; // TODO return copy
@@ -85,7 +90,7 @@ exports.secondaryStructureColor = secondaryStructureColor;
 function SecondaryStructureColorTheme(ctx, props) {
     var computedSecondaryStructure = ctx.structure && secondary_structure_1.SecondaryStructureProvider.get(ctx.structure);
     var contextHash = computedSecondaryStructure ? (0, util_2.hash2)(computedSecondaryStructure.id, computedSecondaryStructure.version) : -1;
-    var colorMap = (0, color_2.getAdjustedColorMap)(SecondaryStructureColors, props.saturation, props.lightness);
+    var colorMap = (0, color_2.getAdjustedColorMap)(props.colors.name === 'default' ? SecondaryStructureColors : props.colors.params, props.saturation, props.lightness);
     function color(location) {
         if (structure_1.StructureElement.Location.is(location)) {
             return secondaryStructureColor(colorMap, location.unit, location.element, computedSecondaryStructure === null || computedSecondaryStructure === void 0 ? void 0 : computedSecondaryStructure.value);
@@ -103,8 +108,8 @@ function SecondaryStructureColorTheme(ctx, props) {
         props: props,
         contextHash: contextHash,
         description: Description,
-        legend: (0, legend_1.TableLegend)(Object.keys(SecondaryStructureColors).map(function (name) {
-            return [name, SecondaryStructureColors[name]];
+        legend: (0, legend_1.TableLegend)(Object.keys(colorMap).map(function (name) {
+            return [name, colorMap[name]];
         }).concat([['Other', DefaultSecondaryStructureColor]]))
     };
 }

package/lib/commonjs/mol-theme/color/volume-value.d.ts

@@ -0,0 +1,17 @@
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+import { ColorTheme } from '../color';
+import { ParamDefinition as PD } from '../../mol-util/param-definition';
+import { ThemeDataContext } from '../theme';
+export declare const VolumeValueColorThemeParams: {
+    colorList: PD.ColorList;
+};
+export declare type VolumeValueColorThemeParams = typeof VolumeValueColorThemeParams;
+export declare function getVolumeValueColorThemeParams(ctx: ThemeDataContext): {
+    colorList: PD.ColorList;
+};
+export declare function VolumeValueColorTheme(ctx: ThemeDataContext, props: PD.Values<VolumeValueColorThemeParams>): ColorTheme<VolumeValueColorThemeParams>;
+export declare const VolumeValueColorThemeProvider: ColorTheme.Provider<VolumeValueColorThemeParams, 'volume-value'>;

package/lib/commonjs/mol-theme/color/volume-value.js

@@ -0,0 +1,57 @@
+"use strict";
+/**
+ * Copyright (c) 2021 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * @author Alexander Rose <alexander.rose@weirdbyte.de>
+ */
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.VolumeValueColorThemeProvider = exports.VolumeValueColorTheme = exports.getVolumeValueColorThemeParams = exports.VolumeValueColorThemeParams = void 0;
+var color_1 = require("../../mol-util/color");
+var param_definition_1 = require("../../mol-util/param-definition");
+var names_1 = require("../../mol-util/color/names");
+var DefaultColor = (0, color_1.Color)(0xCCCCCC);
+var Description = 'Assign color based on the given value of a volume cell.';
+exports.VolumeValueColorThemeParams = {
+    colorList: param_definition_1.ParamDefinition.ColorList({
+        kind: 'interpolate',
+        colors: [
+            [names_1.ColorNames.white, 0],
+            [names_1.ColorNames.red, 0.25],
+            [names_1.ColorNames.white, 0.5],
+            [names_1.ColorNames.blue, 0.75],
+            [names_1.ColorNames.white, 1]
+        ]
+    }, { offsets: true, isEssential: true }),
+};
+function getVolumeValueColorThemeParams(ctx) {
+    return exports.VolumeValueColorThemeParams; // TODO return copy
+}
+exports.getVolumeValueColorThemeParams = getVolumeValueColorThemeParams;
+function VolumeValueColorTheme(ctx, props) {
+    var scale = color_1.ColorScale.create({ domain: [0, 1], listOrName: props.colorList.colors });
+    var colors = [];
+    for (var i = 0; i < 256; ++i) {
+        colors[i] = scale.color(i / 255);
+    }
+    var palette = { colors: colors, filter: 'linear' };
+    return {
+        factory: VolumeValueColorTheme,
+        granularity: 'direct',
+        color: function () { return DefaultColor; },
+        props: props,
+        description: Description,
+        legend: scale.legend,
+        palette: palette,
+    };
+}
+exports.VolumeValueColorTheme = VolumeValueColorTheme;
+exports.VolumeValueColorThemeProvider = {
+    name: 'volume-value',
+    label: 'Volume Value',
+    category: "Miscellaneous" /* Misc */,
+    factory: VolumeValueColorTheme,
+    getParams: getVolumeValueColorThemeParams,
+    defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.VolumeValueColorThemeParams),
+    isApplicable: function (ctx) { return !!ctx.volume; },
+};
+//# sourceMappingURL=volume-value.js.map