From 34e87121e12c6787bca1cbf21e7d3091ad94254b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Michal=20Mal=C3=BD?= <michal.maly@ibt.cas.cz>
Date: Wed, 16 Mar 2022 22:00:30 +0100
Subject: [PATCH] Make Confal pyramids colors changeable
---
.../dnatco/confal-pyramids/color.ts | 358 +++++++++++-------
1 file changed, 226 insertions(+), 132 deletions(-)
diff --git a/src/extensions/dnatco/confal-pyramids/color.ts b/src/extensions/dnatco/confal-pyramids/color.ts
index be76d6619..8bc71f0f3 100644
--- a/src/extensions/dnatco/confal-pyramids/color.ts
+++ b/src/extensions/dnatco/confal-pyramids/color.ts
@@ -11,149 +11,248 @@ import { Location } from '../../../mol-model/location';
import { CustomProperty } from '../../../mol-model-props/common/custom-property';
import { ColorTheme } from '../../../mol-theme/color';
import { ThemeDataContext } from '../../../mol-theme/theme';
-import { Color } from '../../../mol-util/color';
+import { Color, ColorMap } from '../../../mol-util/color';
+import { getColorMapParams } from '../../../mol-util/color/params';
import { ParamDefinition as PD } from '../../../mol-util/param-definition';
import { TableLegend } from '../../../mol-util/legend';
-import { iterableToArray } from '../../../mol-data/util';
+import { ObjectKeys } from '../../../mol-util/type-helpers';
-const DefaultColor = Color(0xCCCCCC);
const Description = 'Assigns colors to confal pyramids';
-const ErrorColor = Color(0xFFA10A);
-
-type ConformerClasses = 'A' | 'B' | 'BII' | 'miB' | 'Z' | 'IC' | 'OPN' | 'SYN' | 'N';
-const ColorMapping: ReadonlyMap<ConformerClasses, Color> = new Map([
- ['A', Color(0xFFC1C1)],
- ['B', Color(0xC8CFFF)],
- ['BII', Color(0x0059DA)],
- ['miB', Color(0x3BE8FB)],
- ['Z', Color(0x01F60E)],
- ['IC', Color(0xFA5CFB)],
- ['OPN', Color(0xE90000)],
- ['SYN', Color(0xFFFF01)],
- ['N', Color(0xF2F2F2)],
-]);
+const DefaultClassColors = {
+ A: 0xFFC1C1,
+ B: 0xC8CFFF,
+ BII: 0x0059DA,
+ miB: 0x3BE8FB,
+ Z: 0x01F60E,
+ IC: 0xFA5CFB,
+ OPN: 0xE90000,
+ SYN: 0xFFFF01,
+ N: 0xF2F2F2,
+};
+const ErrorColor = Color(0xFFA10A);
-const NtCToClasses: ReadonlyMap<string, [ConformerClasses, ConformerClasses]> = new Map([
- ['NANT', ['N', 'N']],
- ['AA00', ['A', 'A']],
- ['AA02', ['A', 'A']],
- ['AA03', ['A', 'A']],
- ['AA04', ['A', 'A']],
- ['AA08', ['A', 'A']],
- ['AA09', ['A', 'A']],
- ['AA01', ['A', 'A']],
- ['AA05', ['A', 'A']],
- ['AA06', ['A', 'A']],
- ['AA10', ['A', 'A']],
- ['AA11', ['A', 'A']],
- ['AA07', ['A', 'A']],
- ['AA12', ['A', 'A']],
- ['AA13', ['A', 'A']],
- ['AB01', ['A', 'B']],
- ['AB02', ['A', 'B']],
- ['AB03', ['A', 'B']],
- ['AB04', ['A', 'B']],
- ['AB05', ['A', 'B']],
- ['BA01', ['B', 'A']],
- ['BA05', ['B', 'A']],
- ['BA09', ['B', 'A']],
- ['BA08', ['BII', 'A']],
- ['BA10', ['B', 'A']],
- ['BA13', ['BII', 'A']],
- ['BA16', ['BII', 'A']],
- ['BA17', ['BII', 'A']],
- ['BB00', ['B', 'B']],
- ['BB01', ['B', 'B']],
- ['BB17', ['B', 'B']],
- ['BB02', ['B', 'B']],
- ['BB03', ['B', 'B']],
- ['BB11', ['B', 'B']],
- ['BB16', ['B', 'B']],
- ['BB04', ['B', 'BII']],
- ['BB05', ['B', 'BII']],
- ['BB07', ['BII', 'BII']],
- ['BB08', ['BII', 'BII']],
- ['BB10', ['miB', 'miB']],
- ['BB12', ['miB', 'miB']],
- ['BB13', ['miB', 'miB']],
- ['BB14', ['miB', 'miB']],
- ['BB15', ['miB', 'miB']],
- ['BB20', ['miB', 'miB']],
- ['IC01', ['IC', 'IC']],
- ['IC02', ['IC', 'IC']],
- ['IC03', ['IC', 'IC']],
- ['IC04', ['IC', 'IC']],
- ['IC05', ['IC', 'IC']],
- ['IC06', ['IC', 'IC']],
- ['IC07', ['IC', 'IC']],
- ['OP01', ['OPN', 'OPN']],
- ['OP02', ['OPN', 'OPN']],
- ['OP03', ['OPN', 'OPN']],
- ['OP04', ['OPN', 'OPN']],
- ['OP05', ['OPN', 'OPN']],
- ['OP06', ['OPN', 'OPN']],
- ['OP07', ['OPN', 'OPN']],
- ['OP08', ['OPN', 'OPN']],
- ['OP09', ['OPN', 'OPN']],
- ['OP10', ['OPN', 'OPN']],
- ['OP11', ['OPN', 'OPN']],
- ['OP12', ['OPN', 'OPN']],
- ['OP13', ['OPN', 'OPN']],
- ['OP14', ['OPN', 'OPN']],
- ['OP15', ['OPN', 'OPN']],
- ['OP16', ['OPN', 'OPN']],
- ['OP17', ['OPN', 'OPN']],
- ['OP18', ['OPN', 'OPN']],
- ['OP19', ['OPN', 'OPN']],
- ['OP20', ['OPN', 'OPN']],
- ['OP21', ['OPN', 'OPN']],
- ['OP22', ['OPN', 'OPN']],
- ['OP23', ['OPN', 'OPN']],
- ['OP24', ['OPN', 'OPN']],
- ['OP25', ['OPN', 'OPN']],
- ['OP26', ['OPN', 'OPN']],
- ['OP27', ['OPN', 'OPN']],
- ['OP28', ['OPN', 'OPN']],
- ['OP29', ['OPN', 'OPN']],
- ['OP30', ['OPN', 'OPN']],
- ['OP31', ['OPN', 'OPN']],
- ['OPS1', ['OPN', 'OPN']],
- ['OP1S', ['OPN', 'SYN']],
- ['AAS1', ['SYN', 'A']],
- ['AB1S', ['A', 'SYN']],
- ['AB2S', ['A', 'SYN']],
- ['BB1S', ['B', 'SYN']],
- ['BB2S', ['B', 'SYN']],
- ['BBS1', ['SYN', 'B']],
- ['ZZ01', ['Z', 'Z']],
- ['ZZ02', ['Z', 'Z']],
- ['ZZ1S', ['Z', 'SYN']],
- ['ZZ2S', ['Z', 'SYN']],
- ['ZZS1', ['SYN', 'Z']],
- ['ZZS2', ['SYN', 'Z']],
-]);
+const PyramidsColors = ColorMap({
+ NANT_Upr: DefaultClassColors.N,
+ NANT_Lwr: DefaultClassColors.N,
+ AA00_Upr: DefaultClassColors.A,
+ AA00_Lwr: DefaultClassColors.A,
+ AA02_Upr: DefaultClassColors.A,
+ AA02_Lwr: DefaultClassColors.A,
+ AA03_Upr: DefaultClassColors.A,
+ AA03_Lwr: DefaultClassColors.A,
+ AA04_Upr: DefaultClassColors.A,
+ AA04_Lwr: DefaultClassColors.A,
+ AA08_Upr: DefaultClassColors.A,
+ AA08_Lwr: DefaultClassColors.A,
+ AA09_Upr: DefaultClassColors.A,
+ AA09_Lwr: DefaultClassColors.A,
+ AA01_Upr: DefaultClassColors.A,
+ AA01_Lwr: DefaultClassColors.A,
+ AA05_Upr: DefaultClassColors.A,
+ AA05_Lwr: DefaultClassColors.A,
+ AA06_Upr: DefaultClassColors.A,
+ AA06_Lwr: DefaultClassColors.A,
+ AA10_Upr: DefaultClassColors.A,
+ AA10_Lwr: DefaultClassColors.A,
+ AA11_Upr: DefaultClassColors.A,
+ AA11_Lwr: DefaultClassColors.A,
+ AA07_Upr: DefaultClassColors.A,
+ AA07_Lwr: DefaultClassColors.A,
+ AA12_Upr: DefaultClassColors.A,
+ AA12_Lwr: DefaultClassColors.A,
+ AA13_Upr: DefaultClassColors.A,
+ AA13_Lwr: DefaultClassColors.A,
+ AB01_Upr: DefaultClassColors.A,
+ AB01_Lwr: DefaultClassColors.B,
+ AB02_Upr: DefaultClassColors.A,
+ AB02_Lwr: DefaultClassColors.B,
+ AB03_Upr: DefaultClassColors.A,
+ AB03_Lwr: DefaultClassColors.B,
+ AB04_Upr: DefaultClassColors.A,
+ AB04_Lwr: DefaultClassColors.B,
+ AB05_Upr: DefaultClassColors.A,
+ AB05_Lwr: DefaultClassColors.B,
+ BA01_Upr: DefaultClassColors.B,
+ BA01_Lwr: DefaultClassColors.A,
+ BA05_Upr: DefaultClassColors.B,
+ BA05_Lwr: DefaultClassColors.A,
+ BA09_Upr: DefaultClassColors.B,
+ BA09_Lwr: DefaultClassColors.A,
+ BA08_Upr: DefaultClassColors.BII,
+ BA08_Lwr: DefaultClassColors.A,
+ BA10_Upr: DefaultClassColors.B,
+ BA10_Lwr: DefaultClassColors.A,
+ BA13_Upr: DefaultClassColors.BII,
+ BA13_Lwr: DefaultClassColors.A,
+ BA16_Upr: DefaultClassColors.BII,
+ BA16_Lwr: DefaultClassColors.A,
+ BA17_Upr: DefaultClassColors.BII,
+ BA17_Lwr: DefaultClassColors.A,
+ BB00_Upr: DefaultClassColors.B,
+ BB00_Lwr: DefaultClassColors.B,
+ BB01_Upr: DefaultClassColors.B,
+ BB01_Lwr: DefaultClassColors.B,
+ BB17_Upr: DefaultClassColors.B,
+ BB17_Lwr: DefaultClassColors.B,
+ BB02_Upr: DefaultClassColors.B,
+ BB02_Lwr: DefaultClassColors.B,
+ BB03_Upr: DefaultClassColors.B,
+ BB03_Lwr: DefaultClassColors.B,
+ BB11_Upr: DefaultClassColors.B,
+ BB11_Lwr: DefaultClassColors.B,
+ BB16_Upr: DefaultClassColors.B,
+ BB16_Lwr: DefaultClassColors.B,
+ BB04_Upr: DefaultClassColors.B,
+ BB04_Lwr: DefaultClassColors.BII,
+ BB05_Upr: DefaultClassColors.B,
+ BB05_Lwr: DefaultClassColors.BII,
+ BB07_Upr: DefaultClassColors.BII,
+ BB07_Lwr: DefaultClassColors.BII,
+ BB08_Upr: DefaultClassColors.BII,
+ BB08_Lwr: DefaultClassColors.BII,
+ BB10_Upr: DefaultClassColors.miB,
+ BB10_Lwr: DefaultClassColors.miB,
+ BB12_Upr: DefaultClassColors.miB,
+ BB12_Lwr: DefaultClassColors.miB,
+ BB13_Upr: DefaultClassColors.miB,
+ BB13_Lwr: DefaultClassColors.miB,
+ BB14_Upr: DefaultClassColors.miB,
+ BB14_Lwr: DefaultClassColors.miB,
+ BB15_Upr: DefaultClassColors.miB,
+ BB15_Lwr: DefaultClassColors.miB,
+ BB20_Upr: DefaultClassColors.miB,
+ BB20_Lwr: DefaultClassColors.miB,
+ IC01_Upr: DefaultClassColors.IC,
+ IC01_Lwr: DefaultClassColors.IC,
+ IC02_Upr: DefaultClassColors.IC,
+ IC02_Lwr: DefaultClassColors.IC,
+ IC03_Upr: DefaultClassColors.IC,
+ IC03_Lwr: DefaultClassColors.IC,
+ IC04_Upr: DefaultClassColors.IC,
+ IC04_Lwr: DefaultClassColors.IC,
+ IC05_Upr: DefaultClassColors.IC,
+ IC05_Lwr: DefaultClassColors.IC,
+ IC06_Upr: DefaultClassColors.IC,
+ IC06_Lwr: DefaultClassColors.IC,
+ IC07_Upr: DefaultClassColors.IC,
+ IC07_Lwr: DefaultClassColors.IC,
+ OP01_Upr: DefaultClassColors.OPN,
+ OP01_Lwr: DefaultClassColors.OPN,
+ OP02_Upr: DefaultClassColors.OPN,
+ OP02_Lwr: DefaultClassColors.OPN,
+ OP03_Upr: DefaultClassColors.OPN,
+ OP03_Lwr: DefaultClassColors.OPN,
+ OP04_Upr: DefaultClassColors.OPN,
+ OP04_Lwr: DefaultClassColors.OPN,
+ OP05_Upr: DefaultClassColors.OPN,
+ OP05_Lwr: DefaultClassColors.OPN,
+ OP06_Upr: DefaultClassColors.OPN,
+ OP06_Lwr: DefaultClassColors.OPN,
+ OP07_Upr: DefaultClassColors.OPN,
+ OP07_Lwr: DefaultClassColors.OPN,
+ OP08_Upr: DefaultClassColors.OPN,
+ OP08_Lwr: DefaultClassColors.OPN,
+ OP09_Upr: DefaultClassColors.OPN,
+ OP09_Lwr: DefaultClassColors.OPN,
+ OP10_Upr: DefaultClassColors.OPN,
+ OP10_Lwr: DefaultClassColors.OPN,
+ OP11_Upr: DefaultClassColors.OPN,
+ OP11_Lwr: DefaultClassColors.OPN,
+ OP12_Upr: DefaultClassColors.OPN,
+ OP12_Lwr: DefaultClassColors.OPN,
+ OP13_Upr: DefaultClassColors.OPN,
+ OP13_Lwr: DefaultClassColors.OPN,
+ OP14_Upr: DefaultClassColors.OPN,
+ OP14_Lwr: DefaultClassColors.OPN,
+ OP15_Upr: DefaultClassColors.OPN,
+ OP15_Lwr: DefaultClassColors.OPN,
+ OP16_Upr: DefaultClassColors.OPN,
+ OP16_Lwr: DefaultClassColors.OPN,
+ OP17_Upr: DefaultClassColors.OPN,
+ OP17_Lwr: DefaultClassColors.OPN,
+ OP18_Upr: DefaultClassColors.OPN,
+ OP18_Lwr: DefaultClassColors.OPN,
+ OP19_Upr: DefaultClassColors.OPN,
+ OP19_Lwr: DefaultClassColors.OPN,
+ OP20_Upr: DefaultClassColors.OPN,
+ OP20_Lwr: DefaultClassColors.OPN,
+ OP21_Upr: DefaultClassColors.OPN,
+ OP21_Lwr: DefaultClassColors.OPN,
+ OP22_Upr: DefaultClassColors.OPN,
+ OP22_Lwr: DefaultClassColors.OPN,
+ OP23_Upr: DefaultClassColors.OPN,
+ OP23_Lwr: DefaultClassColors.OPN,
+ OP24_Upr: DefaultClassColors.OPN,
+ OP24_Lwr: DefaultClassColors.OPN,
+ OP25_Upr: DefaultClassColors.OPN,
+ OP25_Lwr: DefaultClassColors.OPN,
+ OP26_Upr: DefaultClassColors.OPN,
+ OP26_Lwr: DefaultClassColors.OPN,
+ OP27_Upr: DefaultClassColors.OPN,
+ OP27_Lwr: DefaultClassColors.OPN,
+ OP28_Upr: DefaultClassColors.OPN,
+ OP28_Lwr: DefaultClassColors.OPN,
+ OP29_Upr: DefaultClassColors.OPN,
+ OP29_Lwr: DefaultClassColors.OPN,
+ OP30_Upr: DefaultClassColors.OPN,
+ OP30_Lwr: DefaultClassColors.OPN,
+ OP31_Upr: DefaultClassColors.OPN,
+ OP31_Lwr: DefaultClassColors.OPN,
+ OPS1_Upr: DefaultClassColors.OPN,
+ OPS1_Lwr: DefaultClassColors.OPN,
+ OP1S_Upr: DefaultClassColors.OPN,
+ OP1S_Lwr: DefaultClassColors.SYN,
+ AAS1_Upr: DefaultClassColors.SYN,
+ AAS1_Lwr: DefaultClassColors.A,
+ AB1S_Upr: DefaultClassColors.A,
+ AB1S_Lwr: DefaultClassColors.SYN,
+ AB2S_Upr: DefaultClassColors.A,
+ AB2S_Lwr: DefaultClassColors.SYN,
+ BB1S_Upr: DefaultClassColors.B,
+ BB1S_Lwr: DefaultClassColors.SYN,
+ BB2S_Upr: DefaultClassColors.B,
+ BB2S_Lwr: DefaultClassColors.SYN,
+ BBS1_Upr: DefaultClassColors.SYN,
+ BBS1_Lwr: DefaultClassColors.B,
+ ZZ01_Upr: DefaultClassColors.Z,
+ ZZ01_Lwr: DefaultClassColors.Z,
+ ZZ02_Upr: DefaultClassColors.Z,
+ ZZ02_Lwr: DefaultClassColors.Z,
+ ZZ1S_Upr: DefaultClassColors.Z,
+ ZZ1S_Lwr: DefaultClassColors.SYN,
+ ZZ2S_Upr: DefaultClassColors.Z,
+ ZZ2S_Lwr: DefaultClassColors.SYN,
+ ZZS1_Upr: DefaultClassColors.SYN,
+ ZZS1_Lwr: DefaultClassColors.Z,
+ ZZS2_Upr: DefaultClassColors.SYN,
+ ZZS2_Lwr: DefaultClassColors.Z,
+});
+type PyramidsColors = typeof PyramidsColors;
-function getConformerColor(ntc: string, useLower: boolean): Color {
- const item = NtCToClasses.get(ntc);
- if (!item) return ErrorColor;
- return ColorMapping.get(useLower ? item[1] : item[0]) ?? ErrorColor;
-}
+export const ConfalPyramidsColorThemeParams = {
+ colors: PD.MappedStatic('default', {
+ 'default': PD.EmptyGroup(),
+ 'custom': PD.Group(getColorMapParams(PyramidsColors))
+ }),
+};
+export type ConfalPyramidsColorThemeParams = typeof ConfalPyramidsColorThemeParams;
-export const ConfalPyramidsColorThemeParams = {};
-export type ConfalPyramidsColorThemeParams = typeof ConfalPyramidsColorThemeParams
export function getConfalPyramidsColorThemeParams(ctx: ThemeDataContext) {
- return ConfalPyramidsColorThemeParams; // TODO return copy
+ return PD.clone(ConfalPyramidsColorThemeParams);
}
export function ConfalPyramidsColorTheme(ctx: ThemeDataContext, props: PD.Values<ConfalPyramidsColorThemeParams>): ColorTheme<ConfalPyramidsColorThemeParams> {
+ const colorMap = props.colors.name === 'default' ? PyramidsColors : props.colors.params;
+
function color(location: Location, isSecondary: boolean): Color {
if (CPT.isLocation(location)) {
const { pyramid, isLower } = location.data;
- return getConformerColor(pyramid.NtC, isLower);
+ const key = pyramid.NtC + `_${isLower ? 'Lwr' : 'Upr'}` as keyof PyramidsColors;
+ return colorMap[key] ?? ErrorColor;
}
- return DefaultColor;
+ return ErrorColor;
}
return {
@@ -162,12 +261,7 @@ export function ConfalPyramidsColorTheme(ctx: ThemeDataContext, props: PD.Values
color,
props,
description: Description,
- legend: TableLegend(iterableToArray(ColorMapping.entries()).map(([conformer, color]) => {
- return [conformer, color] as [string, Color];
- }).concat([
- ['Error', ErrorColor],
- ['Unknown', DefaultColor]
- ]))
+ legend: TableLegend(ObjectKeys(colorMap).map(k => [k.replace('_', ' '), colorMap[k]] as [string, Color]).concat([['Error', ErrorColor]])),
};
}
--
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