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+/**
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+ * Copyright (c) 2022 mol* contributors, licensed under MIT, See LICENSE file for more info.
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+ *
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+ * @author David Sehnal <david.sehnal@gmail.com>
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+ */
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+
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+import { Color, ColorScale } from '../../mol-util/color';
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+import { Location } from '../../mol-model/location';
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+import { ColorTheme } from '../color';
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+import { ParamDefinition as PD } from '../../mol-util/param-definition';
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+import { ThemeDataContext } from '../theme';
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+import { Grid, Volume } from '../../mol-model/volume';
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+import { type PluginContext } from '../../mol-plugin/context';
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+import { isPositionLocation } from '../../mol-geo/util/location-iterator';
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+import { Mat4, Vec3 } from '../../mol-math/linear-algebra';
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+import { lerp } from '../../mol-math/interpolate';
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+
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+const Description = `Assigns a color based volume value at a given vertex.`;
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+
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+export const ExternalVolumeColorThemeParams = {
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+ volume: PD.ValueRef<Volume>(
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+ (ctx: PluginContext) => {
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+ const volumes = ctx.state.data.selectQ(q => q.root.subtree().filter(c => Volume.is(c.obj?.data)));
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+ return volumes.map(v => [v.transform.ref, v.obj?.label ?? '<unknown>'] as [string, string]);
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+ },
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+ (ref, getData) => getData(ref),
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+ ),
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+ coloring: PD.MappedStatic('absolute-value', {
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+ 'absolute-value': PD.Group({
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+ domain: PD.MappedStatic('auto', {
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+ custom: PD.Interval([-1, 1]),
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+ auto: PD.Group({
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+ symmetric: PD.Boolean(false, { description: 'If true the automatic range is determined as [-|max|, |max|].' })
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+ })
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+ }),
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+ list: PD.ColorList('red-white-blue', { presetKind: 'scale' })
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+ }),
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+ 'relative-value': PD.Group({
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+ domain: PD.MappedStatic('auto', {
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+ custom: PD.Interval([-1, 1]),
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+ auto: PD.Group({
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+ symmetric: PD.Boolean(false, { description: 'If true the automatic range is determined as [-|max|, |max|].' })
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+ })
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+ }),
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+ list: PD.ColorList('red-white-blue', { presetKind: 'scale' })
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+ })
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+ }),
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+ defaultColor: PD.Color(Color(0xcccccc)),
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+};
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+export type ExternalVolumeColorThemeParams = typeof ExternalVolumeColorThemeParams
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+
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+export function ExternalVolumeColorTheme(ctx: ThemeDataContext, props: PD.Values<ExternalVolumeColorThemeParams>): ColorTheme<ExternalVolumeColorThemeParams> {
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+ let volume: Volume | undefined;
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+ try {
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+ volume = props.volume.getValue();
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+ } catch {
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+ // .getValue() is resolved during state reconciliation => would throw from UI
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+ }
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+
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+ // NOTE: this will currently be slow for with GPU/texture meshes due to slow iteration
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+ // TODO: create texture to be able to do the sampling on the GPU
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+
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+ let color;
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+ if (volume) {
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+ const coloring = props.coloring.params;
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+ const { stats } = volume.grid;
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+ const domain: [number, number] = coloring.domain.name === 'custom' ? coloring.domain.params : [stats.min, stats.max];
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+
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+ const isRelative = props.coloring.name === 'relative-value';
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+ if (coloring.domain.name === 'auto' && isRelative) {
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+ domain[0] = (domain[0] - stats.mean) / stats.sigma;
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+ domain[1] = (domain[1] - stats.mean) / stats.sigma;
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+ }
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+
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+ if (props.coloring.params.domain.name === 'auto' && props.coloring.params.domain.params.symmetric) {
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+ const max = Math.max(Math.abs(domain[0]), Math.abs(domain[1]));
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+ domain[0] = -max;
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+ domain[1] = max;
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+ }
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+
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+ const scale = ColorScale.create({ domain, listOrName: coloring.list.colors });
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+
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+ const cartnToGrid = Grid.getGridToCartesianTransform(volume.grid);
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+ Mat4.invert(cartnToGrid, cartnToGrid);
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+ const gridCoords = Vec3();
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+
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+ const { dimensions, get } = volume.grid.cells.space;
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+ const data = volume.grid.cells.data;
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+
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+ const [mi, mj, mk] = dimensions;
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+
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+ color = (location: Location): Color => {
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+ if (!isPositionLocation(location)) {
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+ return props.defaultColor;
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+ }
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+
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+ Vec3.copy(gridCoords, location.position);
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+ Vec3.transformMat4(gridCoords, gridCoords, cartnToGrid);
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+
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+ const i = Math.floor(gridCoords[0]);
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+ const j = Math.floor(gridCoords[1]);
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+ const k = Math.floor(gridCoords[2]);
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+
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+ if (i < 0 || i >= mi || j < 0 || j >= mj || k < 0 || k >= mk) {
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+ return props.defaultColor;
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+ }
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+
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+ const u = gridCoords[0] - i;
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+ const v = gridCoords[1] - j;
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+ const w = gridCoords[2] - k;
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+
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+ // Tri-linear interpolation for the value
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+ const ii = Math.min(i + 1, mi - 1);
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+ const jj = Math.min(j + 1, mj - 1);
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+ const kk = Math.min(k + 1, mk - 1);
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+
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+ let a = get(data, i, j, k);
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+ let b = get(data, ii, j, k);
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+ let c = get(data, i, jj, k);
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+ let d = get(data, ii, jj, k);
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+ const x = lerp(lerp(a, b, u), lerp(c, d, u), v);
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+
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+ a = get(data, i, j, kk);
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+ b = get(data, ii, j, kk);
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+ c = get(data, i, jj, kk);
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+ d = get(data, ii, jj, kk);
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+ const y = lerp(lerp(a, b, u), lerp(c, d, u), v);
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+
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+ let value = lerp(x, y, w);
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+ if (isRelative) {
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+ value = (value - stats.mean) / stats.sigma;
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+ }
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+
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+ return scale.color(value);
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+ };
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+ } else {
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+ color = () => props.defaultColor;
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+ }
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+
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+ return {
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+ factory: ExternalVolumeColorTheme,
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+ granularity: 'vertex',
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+ preferSmoothing: true,
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+ color,
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+ props,
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+ description: Description,
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+ // TODO: figure out how to do legend for this
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+ };
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+}
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+
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+export const ExternalVolumeColorThemeProvider: ColorTheme.Provider<ExternalVolumeColorThemeParams, 'external-volume'> = {
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+ name: 'external-volume',
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+ label: 'External Volume',
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+ category: ColorTheme.Category.Misc,
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+ factory: ExternalVolumeColorTheme,
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+ getParams: () => ExternalVolumeColorThemeParams,
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+ defaultValues: PD.getDefaultValues(ExternalVolumeColorThemeParams),
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+ isApplicable: (ctx: ThemeDataContext) => true,
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+};
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David Sehnal