molstar
Version:
A comprehensive macromolecular library.
115 lines (114 loc) • 5.12 kB
JavaScript
;
/**
* Copyright (c) 2019-2020 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.InteractionTypeColorThemeProvider = exports.InteractionTypeColorThemeParams = void 0;
exports.getInteractionTypeColorThemeParams = getInteractionTypeColorThemeParams;
exports.InteractionTypeColorTheme = InteractionTypeColorTheme;
const color_1 = require("../../../mol-util/color");
const param_definition_1 = require("../../../mol-util/param-definition");
const interactions_1 = require("../interactions");
const common_1 = require("../interactions/common");
const legend_1 = require("../../../mol-util/legend");
const interactions_2 = require("../interactions/interactions");
const util_1 = require("../../../mol-data/util");
const categories_1 = require("../../../mol-theme/color/categories");
const DefaultColor = (0, color_1.Color)(0xCCCCCC);
const Description = 'Assigns colors according the interaction type of a link.';
const InteractionTypeColors = (0, color_1.ColorMap)({
HydrogenBond: 0x2B83BA,
Hydrophobic: 0x808080,
HalogenBond: 0x40FFBF,
Ionic: 0xF0C814,
MetalCoordination: 0x8C4099,
CationPi: 0xFF8000,
PiStacking: 0x8CB366,
WeakHydrogenBond: 0xC5DDEC,
});
const InteractionTypeColorTable = [
['Hydrogen Bond', InteractionTypeColors.HydrogenBond],
['Hydrophobic', InteractionTypeColors.Hydrophobic],
['Halogen Bond', InteractionTypeColors.HalogenBond],
['Ionic', InteractionTypeColors.Ionic],
['Metal Coordination', InteractionTypeColors.MetalCoordination],
['Cation Pi', InteractionTypeColors.CationPi],
['Pi Stacking', InteractionTypeColors.PiStacking],
['Weak HydrogenBond', InteractionTypeColors.WeakHydrogenBond],
];
function typeColor(type) {
switch (type) {
case common_1.InteractionType.HydrogenBond:
return InteractionTypeColors.HydrogenBond;
case common_1.InteractionType.Hydrophobic:
return InteractionTypeColors.Hydrophobic;
case common_1.InteractionType.HalogenBond:
return InteractionTypeColors.HalogenBond;
case common_1.InteractionType.Ionic:
return InteractionTypeColors.Ionic;
case common_1.InteractionType.MetalCoordination:
return InteractionTypeColors.MetalCoordination;
case common_1.InteractionType.CationPi:
return InteractionTypeColors.CationPi;
case common_1.InteractionType.PiStacking:
return InteractionTypeColors.PiStacking;
case common_1.InteractionType.WeakHydrogenBond:
return InteractionTypeColors.WeakHydrogenBond;
case common_1.InteractionType.Unknown:
return DefaultColor;
}
}
exports.InteractionTypeColorThemeParams = {};
function getInteractionTypeColorThemeParams(ctx) {
return exports.InteractionTypeColorThemeParams; // TODO return copy
}
function InteractionTypeColorTheme(ctx, props) {
let color;
const interactions = ctx.structure ? interactions_1.InteractionsProvider.get(ctx.structure) : undefined;
const contextHash = interactions ? (0, util_1.hash2)(interactions.id, interactions.version) : -1;
if (interactions && interactions.value) {
color = (location) => {
if (interactions_2.Interactions.isLocation(location)) {
const { unitsContacts, contacts } = location.data.interactions;
const { unitA, unitB, indexA, indexB } = location.element;
if (unitA === unitB) {
const links = unitsContacts.get(unitA.id);
const idx = links.getDirectedEdgeIndex(indexA, indexB);
return typeColor(links.edgeProps.type[idx]);
}
else {
const idx = contacts.getEdgeIndex(indexA, unitA.id, indexB, unitB.id);
return typeColor(contacts.edges[idx].props.type);
}
}
return DefaultColor;
};
}
else {
color = () => DefaultColor;
}
return {
factory: InteractionTypeColorTheme,
granularity: 'group',
color: color,
props: props,
contextHash,
description: Description,
legend: (0, legend_1.TableLegend)(InteractionTypeColorTable)
};
}
exports.InteractionTypeColorThemeProvider = {
name: 'interaction-type',
label: 'Interaction Type',
category: categories_1.ColorThemeCategory.Misc,
factory: InteractionTypeColorTheme,
getParams: getInteractionTypeColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionTypeColorThemeParams),
isApplicable: (ctx) => !!ctx.structure,
ensureCustomProperties: {
attach: (ctx, data) => data.structure ? interactions_1.InteractionsProvider.attach(ctx, data.structure, void 0, true) : Promise.resolve(),
detach: (data) => data.structure && interactions_1.InteractionsProvider.ref(data.structure, false)
}
};