molstar
Version:
A comprehensive macromolecular library.
113 lines • 5.21 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.InteractionTypeColorTheme = exports.getInteractionTypeColorThemeParams = exports.InteractionTypeColorThemeParams = void 0;
var color_1 = require("../../../mol-util/color");
var param_definition_1 = require("../../../mol-util/param-definition");
var interactions_1 = require("../interactions");
var legend_1 = require("../../../mol-util/legend");
var interactions_2 = require("../interactions/interactions");
var util_1 = require("../../../mol-data/util");
var DefaultColor = (0, color_1.Color)(0xCCCCCC);
var Description = 'Assigns colors according the interaction type of a link.';
var InteractionTypeColors = (0, color_1.ColorMap)({
HydrogenBond: 0x2B83BA,
Hydrophobic: 0x808080,
HalogenBond: 0x40FFBF,
Ionic: 0xF0C814,
MetalCoordination: 0x8C4099,
CationPi: 0xFF8000,
PiStacking: 0x8CB366,
WeakHydrogenBond: 0xC5DDEC,
});
var 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 4 /* HydrogenBond */:
return InteractionTypeColors.HydrogenBond;
case 6 /* Hydrophobic */:
return InteractionTypeColors.Hydrophobic;
case 5 /* HalogenBond */:
return InteractionTypeColors.HalogenBond;
case 1 /* Ionic */:
return InteractionTypeColors.Ionic;
case 7 /* MetalCoordination */:
return InteractionTypeColors.MetalCoordination;
case 2 /* CationPi */:
return InteractionTypeColors.CationPi;
case 3 /* PiStacking */:
return InteractionTypeColors.PiStacking;
case 8 /* WeakHydrogenBond */:
return InteractionTypeColors.WeakHydrogenBond;
case 0 /* Unknown */:
return DefaultColor;
}
}
exports.InteractionTypeColorThemeParams = {};
function getInteractionTypeColorThemeParams(ctx) {
return exports.InteractionTypeColorThemeParams; // TODO return copy
}
exports.getInteractionTypeColorThemeParams = getInteractionTypeColorThemeParams;
function InteractionTypeColorTheme(ctx, props) {
var color;
var interactions = ctx.structure ? interactions_1.InteractionsProvider.get(ctx.structure) : undefined;
var contextHash = interactions ? (0, util_1.hash2)(interactions.id, interactions.version) : -1;
if (interactions && interactions.value) {
color = function (location) {
if (interactions_2.Interactions.isLocation(location)) {
var _a = location.data.interactions, unitsContacts = _a.unitsContacts, contacts = _a.contacts;
var _b = location.element, unitA = _b.unitA, unitB = _b.unitB, indexA = _b.indexA, indexB = _b.indexB;
if (unitA === unitB) {
var links = unitsContacts.get(unitA.id);
var idx = links.getDirectedEdgeIndex(indexA, indexB);
return typeColor(links.edgeProps.type[idx]);
}
else {
var idx = contacts.getEdgeIndex(indexA, unitA.id, indexB, unitB.id);
return typeColor(contacts.edges[idx].props.type);
}
}
return DefaultColor;
};
}
else {
color = function () { return DefaultColor; };
}
return {
factory: InteractionTypeColorTheme,
granularity: 'group',
color: color,
props: props,
contextHash: contextHash,
description: Description,
legend: (0, legend_1.TableLegend)(InteractionTypeColorTable)
};
}
exports.InteractionTypeColorTheme = InteractionTypeColorTheme;
exports.InteractionTypeColorThemeProvider = {
name: 'interaction-type',
label: 'Interaction Type',
category: "Miscellaneous" /* Misc */,
factory: InteractionTypeColorTheme,
getParams: getInteractionTypeColorThemeParams,
defaultValues: param_definition_1.ParamDefinition.getDefaultValues(exports.InteractionTypeColorThemeParams),
isApplicable: function (ctx) { return !!ctx.structure; },
ensureCustomProperties: {
attach: function (ctx, data) { return data.structure ? interactions_1.InteractionsProvider.attach(ctx, data.structure, void 0, true) : Promise.resolve(); },
detach: function (data) { return data.structure && interactions_1.InteractionsProvider.ref(data.structure, false); }
}
};
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