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Formose_Reaction_Descriptor.html
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Formose_Reaction_Descriptor.html
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<!DOCTYPE html>
<html>
<head>
<meta charset="UTF-8" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<link rel="shortcut icon" href="data:image/vnd.microsoft.icon;base64,AAABAAEAEBAQAAEABAAoAQAAFgAAACgAAAAQAAAAIAAAAAEABAAAAAAAgAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAA25g0AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAERAAAAAAAAAREAAAAAAAABEQAAAAAAAAERAAAAAAAAARERERAAAAABEREREAAAAAEREREQAAAAAREAAAAAAAABEQAAAAAAAAEREREQAAAAARERERAAAAABEREREAAAAAAAAAAAAAAAAAAAAAAAD//wAA//8AAPH/AADx/wAA8f8AAPH/AADwDwAA8A8AAPAPAADx/wAA8f8AAPAPAADwDwAA8A8AAP//AAD//wAA" />
<title></title>
<script src="https://unpkg.com/[email protected]/dist/lore.min.js"></script>
<script src="https://unpkg.com/[email protected]/dist/smiles-drawer.min.js"></script>
<link
rel="stylesheet"
href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.10.2/css/all.css"
integrity="sha256-piqEf7Ap7CMps8krDQsSOTZgF+MU/0MPyPW2enj5I40="
crossorigin="anonymous" />
<link
href="https://fonts.googleapis.com/css?family=Open+Sans:400,600"
rel="stylesheet"
/>
<style>
body {
margin: 0px;
padding: 0px;
height: 100%;
user-select: none;
overflow: hidden;
white-space: nowrap;
}
#lore {
position: absolute;
width: 100%;
height: 100%;
}
#title {
position: absolute;
z-index: 9999;
pointer-events: none;
text-height: 1;
opacity: 0.0;
transition: opacity 0.5s ease-in;
padding-bottom: 20px;
font-size: 1.0em;
color: #888888;
font-family: 'Open Sans';
}
#x-axis {
position: absolute;
z-index: 9999;
pointer-events: none;
text-height: 1;
opacity: 0.0;
transition: opacity 0.5s ease-in;
padding-top: 20px;
font-size: 0.7em;
color: #888888;
font-family: 'Open Sans';
}
#y-axis {
position: absolute;
z-index: 9999;
pointer-events: none;
text-height: 1;
transition: opacity 0.5s ease-in;
padding-bottom: 20px;
font-size: 0.7em;
color: #888888;
font-family: 'Open Sans';
transform: rotate(-90deg);
}
#tip {
position: absolute;
z-index: 9999;
left: 10px;
top: 10px;
padding: 5px;
font-family: 'Open Sans';
background-color: rgba(255, 255, 255, 1.0);
border-radius: 2px;
border-left: 5px solid #000;
pointer-events: none;
opacity: 0.0;
transition: opacity 0.1s ease-out;
filter: drop-shadow(0px 0px 10px rgba(0, 0, 0, 1.0));
}
#tip.show {
opacity: 1.0;
transition: opacity 0.1s ease-out;
}
#tip-text {
position: relative;
max-width: 250px;
font-size: 0.8em;
font-weight: bold;
white-space: normal;
line-break: normal;
}
#hover-indicator {
display: none;
position: absolute;
z-index: 999;
border: 1px solid #fff;
background-color: rgba(255, 255, 255, 0.25);
border-radius: 50%;
pointer-events: none;
}
#hover-indicator.show {
display: block !important
}
.selected-indicator {
position: absolute;
z-index: 999;
pointer-events: none;
}
.selected-indicator .crosshair-x {
position: absolute;
top: 0; left: 0; bottom: 0; right: 0;
height: 2px;
width: 100%;
margin: auto;
background-color: #fff;
}
.selected-indicator .crosshair-y {
position: absolute;
top: 0; left: 0; bottom: 0; right: 0;
width: 2px;
height: 100%;
margin: auto;
background-color: #fff;
}
#legend {
position: absolute;
z-index: 9998;
bottom: 10px;
right: 10px;
padding: 10px;
border: 1px solid #262626;
border-radius: 2px;
background-color: #111111;
filter: drop-shadow(0px 0px 10px rgba(0, 0, 0, 0.5));
color: #eeeeee;
font-family: 'Open Sans';
}
#legend .container {
display: flex;
flex: auto;
align-items: flex-start;
flex-direction: column;
}
#legend .legend-section {
width: 100%;
}
#legend .legend-section:not(:first-child) {
}
#legend h2 {
font-size: 1em;
font-weight: 600;
padding-top: 0;
margin-top: 0;
margin-bottom: 5px;
text-align: center;
max-width: 250px;
white-space: normal;
}
#legend h3 {
font-size: 0.8em;
margin-top: 10px;
margin-bottom: 0px;
max-width: 250px;
white-space: normal;
}
#legend select {
width: 100%;
margin-bottom: 5px;
background: transparent;
color: #fff;
border-radius: 2px;
font-size: 0.75em;
}
#legend select option {
background: #000;
}
#legend .legend-element, #legend .legend-element-range {
position: relative;
display: flex;
flex: auto;
align-items: flex-start;
padding-bottom: 2px;
padding-top: 2px;
}
#legend .legend-element {
align-items: flex-start;
}
#legend .legend-element-range {
flex-direction: column;
}
#legend .color-box {
width: 15px;
height: 15px;
border: solid 0px;
}
#legend .color-stripe {
width: 15px;
height: 1px;
border: solid 0px;
}
#legend .legend-label {
height: 15px;
font-size: 0.7em;
padding-left: 5px;
}
#legend .legend-label.max {
position: absolute;
top: 0px;
margin-left: 15px;
}
#legend .legend-label.min {
position: absolute;
bottom: 2px;
margin-left: 15px;
}
#selected {
position: absolute;
display: none;
z-index: 9998;
width: 250px;
bottom: 10px;
left: 10px;
padding: 0px;
border: 1px solid #262626;
border-radius: 2px;
background-color: #111111;
filter: drop-shadow(0px 0px 10px rgba(0, 0, 0, 0.5));
color: #eeeeee;
font-family: 'Open Sans';
}
#selected #selected-controls {
display: flex;
align-items: center;
justify-content: flex-end;
padding: 5px 10px;
border-bottom: 1px solid #262626;
font-size: 0.8em;
font-weight: bold;
}
#selected #selected-controls * {
display: inline-block;
}
#selected #selected-controls #selected-title {
flex-grow: 1;
white-space: nowrap;
overflow: hidden;
text-overflow: ellipsis;
color: #aaa;
}
#selected #selected-controls a {
margin: 0px 2px;
font-size: 1.5em;
color: #fff;
opacity: 0.75;
transition: 0.2s;
}
#selected #selected-controls a:hover {
opacity: 1.0;
}
#selected #selected-controls a#selected-remove {
position: absolute;
right: 10px;
top: 42px;
color: #e74c3c;
}
#selected #selected-container {
padding: 10px;
font-size: 0.8em;
}
#selected #selected-container img {
margin-left: -10px;
}
#selected #selected-container .label {
font-weight: bold;
color: #aaa;
font-size: 0.7em;
}
#selected #selected-container .label:not(:first-child) {
margin-top: 2px;
}
#selected #selected-container .content {
white-space: nowrap;
overflow: hidden;
text-overflow: ellipsis;
}
#selected #selected-container .content a {
text-decoration: none;
color: #3498db;
}
#controls {
position: absolute;
z-index: 9998;
top: 10px;
right: 10px;
padding: 2px;
border: 1px solid #262626;
border-radius: 2px;
background-color: #111111;
filter: drop-shadow(0px 0px 10px rgba(0, 0, 0, 0.5));
color: #eeeeee;
font-family: 'Open Sans';
}
#controls a {
display: inline-block;
padding: 5px 10px;
font-size: 1.2em;
color: #fff;
opacity: 0.75;
transition: 0.2s;
}
#controls a:hover {
opacity: 1.0;
}
#controls #more-controls {
display: inline-block;
}
#impress {
position: absolute;
z-index: 9999;
top: 10px;
left: 10px;
font-size: 0.7em;
color: #eee;
}
#impress a {
color: #3498db;
text-decoration: none;
}
#overlay-structure-container {
position: absolute;
z-index: 9999;
top: 50px;
left: 275px;
right: 100px;
bottom: 10px;
opacity: .5;
pointer-events: none;
}
#overlay-structure {
display: block;
margin-left: auto;
margin-right: auto;
margin-top: auto;
margin-bottom: auto;
}
.show {
opacity: 1.0 !important;
}
.hide {
display: none !important;
}
@media only screen and (max-width: 600px) {
#selected {
position: absolute;
display: none;
z-index: 9998;
width: 125px;
opacity: 0.8;
background-filter: blur(10px);
}
#selected img {
width: 125px;
}
#tip {
display: none;
}
}
</style>
</head>
<body>
<div id="overlay-structure-container" data-binding-id="overlayStructureContainer" class="">
<canvas id="overlay-structure" data-binding-id="overlayStructure" width="450" height="687">
</canvas></div>
</div>
<div id="tip" data-bind="tip">
<div id="tip-text" data-bind="tipText"></div>
</div>
<div id="selected" data-bind="selected">
<div id="selected-controls" data-bind="selectedControls">
<a id="selected-toggle" data-bind="selectedToggle" href="#">
<i class="fas fa-toggle-on"></i>
</a>
<span> </span>
<span id="selected-title" data-bind="selectedTitle"></span>
<span> </span>
<span id="selected-current" data-bind="selectedCurrent" data-bind="selectedCurrent">0</span><span> / </span><span id="selected-total" data-bind="selectedTotal">0</span>
<span> </span>
<a id="selected-prev" data-bind="selectedPrev" href="#">
<i class="fas fa-angle-left"></i>
</a>
<span> </span>
<a id="selected-next" data-bind="selectedNext" href="#">
<i class="fas fa-angle-right"></i>
</a>
<a id="selected-remove" data-bind="selectedRemove" href="#">
<i class="fas fa-times"></i>
</a>
</div>
<div id="selected-container" data-bind="selectedContainer">
</div>
</div>
<div id="controls" data-bind="controls">
<div id="more-controls" data-bind="moreControls" class="hide">
<a id="search" data-bind="search" href="#">
<i class="fas fa-search"></i>
</a>
<a id="download" data-bind="download" href="#">
<i class="fas fa-download"></i>
</a>
<a id="export" data-bind="export" href="#">
<i class="fas fa-camera"></i>
</a>
<a id="largepreview" data-bind="largepreview" href="#">
<i class="fas fa-expand"></i>
</a>
</div>
<a id="show-controls" data-bind="showControls" href="#">
<i class="fas fa-bars"></i>
</a>
</div>
<div id="hover-indicator" data-bind="hoverIndicator"></div>
<canvas id="lore"></canvas>
<script src="Formose_Reaction_Descriptors.js"></script>
<script>
//status on whether to show or not the background canvas
let FullMolinBkg = false;
class Faerun {
constructor() {
this.body = document.getElementsByTagName('body')[0];
this.selectedItems = [];
this.selectedIndicators = [];
this.selectedCurrent = [];
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"0.85113"], [[0.866013, 0.889868, 0.095953, 1.0], "0.80582"], [[0.845561, 0.887322, 0.099702, 1.0], "0.83922"], [[0.814576, 0.883393, 0.110347, 1.0], "0.87552"], [[0.79376, 0.880678, 0.120005, 1.0], "0.76608"], [[0.762373, 0.876424, 0.137064, 1.0], "0.83619"], [[0.730889, 0.871916, 0.156029, 1.0], "0.71192"], [[0.709898, 0.868751, 0.169257, 1.0], "0.85442"], [[0.678489, 0.863742, 0.189503, 1.0], "0.84596"], [[0.657642, 0.860219, 0.203082, 1.0], "0.48108"], [[0.626579, 0.854645, 0.223353, 1.0], "0.67165"], [[0.595839, 0.848717, 0.243329, 1.0], "0.24308"], [[0.575563, 0.844566, 0.256415, 1.0], "0.22085"], [[0.545524, 0.838039, 0.275626, 1.0], "0.44678"], [[0.515992, 0.831158, 0.294279, 1.0], "0.79274"], [[0.496615, 0.826376, 0.306377, 1.0], "0.83755"], [[0.468053, 0.818921, 0.323998, 1.0], "0.5247"], [[0.449368, 0.813768, 0.335384, 1.0], "0.52858"], [[0.421908, 0.805774, 0.35191, 1.0], "0.36621"], [[0.395174, 0.797475, 0.367757, 1.0], "0.2439"], [[0.377779, 0.791781, 0.377939, 1.0], "0.43592"], [[0.35236, 0.783011, 0.392636, 1.0], "0.42654"], [[0.335885, 0.777018, 0.402049, 1.0], "0.81152"], [[0.311925, 0.767822, 0.415586, 1.0], "0.74905"], [[0.288921, 0.758394, 0.428426, 1.0], "0.86122"], [[0.274149, 0.751988, 0.436601, 1.0], "0.61133"], [[0.252899, 0.742211, 0.448284, 1.0], "0.72877"], [[0.239374, 0.735588, 0.455688, 1.0], "0.57507"], [[0.220124, 0.725509, 0.466226, 1.0], "0.86286"], [[0.202219, 0.715272, 0.476084, 1.0], "0.59411"], [[0.19109, 0.708366, 0.482284, 1.0], "0.49154"], [[0.175707, 0.6979, 0.491033, 1.0], "0.84922"], [[0.162016, 0.687316, 0.499129, 1.0], "0.5883"], [[0.153894, 0.680203, 0.504172, 1.0], "0.88749"], [[0.143303, 0.669459, 0.511215, 1.0], "0.69228"], [[0.137339, 0.662252, 0.515571, 1.0], "0.87538"], [[0.130067, 0.651384, 0.521608, 1.0], "0.29748"], [[0.12478, 0.640461, 0.527068, 1.0], "0.72142"], [[0.122312, 0.633153, 0.530398, 1.0], "0.80325"], [[0.120081, 0.622161, 0.534946, 1.0], "0.54464"], [[0.119483, 0.614817, 0.537692, 1.0], "0.46426"], [[0.119738, 0.603785, 0.5414, 1.0], "0.83329"], [[0.121148, 0.592739, 0.544641, 1.0], "0.46469"], [[0.122606, 0.585371, 0.546557, 1.0], "0.81905"], [[0.125394, 0.574318, 0.549086, 1.0], "0.76404"], [[0.127568, 0.566949, 0.550556, 1.0], "0.87061"], [[0.131172, 0.555899, 0.552459, 1.0], "0.83254"], [[0.135066, 0.544853, 0.554029, 1.0], "0.86517"], [[0.13777, 0.537492, 0.554906, 1.0], "0.5926"], [[0.141935, 0.526453, 0.555991, 1.0], "0.4366"], [[0.14618, 0.515413, 0.556823, 1.0], "0.84222"], [[0.149039, 0.508051, 0.55725, 1.0], "0.23295"], [[0.153364, 0.497, 0.557724, 1.0], "0.82587"], [[0.15627, 0.489624, 0.557936, 1.0], "0.61816"], [[0.160665, 0.47854, 0.558115, 1.0], "0.34769"], [[0.165117, 0.467423, 0.558141, 1.0], "0.45397"], [[0.168126, 0.459988, 0.558082, 1.0], "0.79619"], [[0.172719, 0.448791, 0.557885, 1.0], "0.80112"], [[0.175841, 0.44129, 0.557685, 1.0], "0.65515"], [[0.180629, 0.429975, 0.557282, 1.0], "0.83671"], [[0.185556, 0.41857, 0.556753, 1.0], "0.39501"], [[0.188923, 0.41091, 0.556326, 1.0], "0.21745"], [[0.1941, 0.399323, 0.555565, 1.0], "0.71452"], [[0.19943, 0.387607, 0.554642, 1.0], "0.66731"], [[0.203063, 0.379716, 0.553925, 1.0], "0.48316"], [[0.208623, 0.367752, 0.552675, 1.0], "0.6645"], [[0.212395, 0.359683, 0.55171, 1.0], "0.56978"], [[0.21813, 0.347432, 0.550038, 1.0], "0.40605"], [[0.223925, 0.334994, 0.548053, 1.0], "0.24707"], [[0.227802, 0.326594, 0.546532, 1.0], "0.49031"], [[0.233603, 0.313828, 0.543914, 1.0], "0.014039"], [[0.237441, 0.305202, 0.541921, 1.0], "0.72277"], [[0.243113, 0.292092, 0.538516, 1.0], "0.44268"], [[0.248629, 0.278775, 0.534556, 1.0], "0.0"], [[0.252194, 0.269783, 0.531579, 1.0], "0.54045"], [[0.257322, 0.25613, 0.526563, 1.0], "0.37283"], [[0.260571, 0.246922, 0.522828, 1.0], "0.26207"], [[0.265145, 0.232956, 0.516599, 1.0], "0.46634"], [[0.269308, 0.218818, 0.509577, 1.0], "0.0"], [[0.271828, 0.209303, 0.504434, 1.0], "0.4861"], [[0.275191, 0.194905, 0.496005, 1.0], "0.51565"], [[0.278012, 0.180367, 0.486697, 1.0], "0.52433"], [[0.279574, 0.170599, 0.479997, 1.0], "0.30724"], [[0.281412, 0.155834, 0.469201, 1.0], "0.55803"], [[0.28229, 0.145912, 0.46151, 1.0], "0.54051"], [[0.283072, 0.130895, 0.449241, 1.0], "0.45495"], [[0.283197, 0.11568, 0.436115, 1.0], "0.50833"], [[0.28291, 0.105393, 0.426902, 1.0], "0.28857"], [[0.281924, 0.089666, 0.412415, 1.0], "0.57166"], [[0.280894, 0.078907, 0.402329, 1.0], "0.60896"], [[0.278791, 0.062145, 0.386592, 1.0], "0.85741"], [[0.276022, 0.044167, 0.370164, 1.0], "0.83841"], [[0.273809, 0.031497, 0.358853, 1.0], "0.66348"], [[0.269944, 0.014625, 0.341379, 1.0], "0.83784"], [[0.267004, 0.004874, 0.329415, 1.0], "0.84595"]]], "legend_title": ["Descriptors", "Descriptors", "Descriptors"], "mapping": {"c": "c", "cs": "cs", "knn": "knn", "labels": "labels", "s": "s", "x": "x", "y": "y", "z": "z"}, "max_c": [2.0934, 0.94029, 0.93064], "max_legend_label": ["2.09", "0.94", "0.93"], "max_point_size": 10, "min_c": [-4.0897, 0.0, 0.0], "min_legend_label": ["-4.09", "0.00", "0.00"], "name": "Descriptors", "ondblclick": [null, null, null], "point_scale": 1.0, "selected_labels": [null, null, null], "series_title": ["cLogP", "M_Complexity", "M_Flexibility"], "shader": "smoothCircle", "title_index": [0, 0, 0]}];
this.treeMeta = [{"color": "#666666", "fog_intensity": 0.0, "mapping": {"c": "c", "from": "from", "to": "to", "x": "x", "y": "y", "z": "z"}, "name": "Descriptors_tree", "point_helper": "Descriptors"}];
this.seriesState = {};
this.el = {};
this.currentPoint = null;
this.lore = null;
this.clearColorHex = '#111111';
this.clearColor = null;
this.view = 'front';
this.antiAliasing = true;
this.alphaBlending = false;
this.thumbnailWidth = 250;
this.thumbnailFixed = false;
this.treeHelpers = [];
this.pointHelpers = [];
this.octreeHelpers = [];
this.coordinatesHelper = null;
this.ohIndexToPhName = [];
this.ohIndexToPhIndex = [];
this.phIndexMap = {};
this.ohIndexMap = {};
this.min = [Number.MAX_VALUE, Number.MAX_VALUE, Number.MAX_VALUE];
this.max = [-Number.MAX_VALUE, -Number.MAX_VALUE, -Number.MAX_VALUE];
this.maxRadius = -Number.MAX_VALUE;
this.coords = {
show: false,
grid: false,
ticks: true,
tickCount: 10,
tickLength: 2.0,
color: '#888888',
box: false,
offset: 5.0
};
this.legend = {
show: true,
title: 'Legend'
};
this.sdMolOpts = {
width: this.thumbnailWidth / window.devicePixelRatio,
height: this.thumbnailWidth / window.devicePixelRatio,
experimental: true
}
this.sdSelected = new SmiDrawer(this.sdMolOpts);
if (this.thumbnailFixed) {
this.sdMolOpts = {
scale: 0.75,
experimental: true
}
}
this.sd = new SmiDrawer(this.sdMolOpts);
this.el = Faerun.bindElements();
this.scatterMeta.forEach(s => {
this.seriesState[s.name] = 0;
});
this.clearColor = Lore.Core.Color.fromHex(this.clearColorHex);
this.alphaBlending = (this.view === 'free' ? false : true) || this.alphaBlending;
this.initLore();
this.initTreeHelpers();
this.initPointHelpers();
this.initCoords();
this.initAxes();
this.initView();
this.initEvents();
this.renderLegend();
}
initLore() {
this.lore = Lore.init('lore', {
antialiasing: this.antiAliasing,
clearColor: this.clearColorHex,
alphaBlending: this.alphaBlending,
preserveDrawingBuffer: true
});
}
initTreeHelpers() {
this.treeMeta.forEach(t => {
let th = new Lore.Helpers.TreeHelper(this.lore, t.name, 'tree');
th.setXYZHexS(data[t.name].x, data[t.name].y, data[t.name].z, t.color);
th.setFog([this.clearColor.components[0], this.clearColor.components[1],
this.clearColor.components[2], this.clearColor.components[3]],
t.fog_intensity);
this.treeHelpers.push(th);
});
}
initPointHelpers() {
this.scatterMeta.forEach(s => {
let ph = new Lore.Helpers.PointHelper(
this.lore, s.name, s.shader, { maxPointSize: s.max_point_size }
);
ph.setXYZRGBS(data[s.name].x, data[s.name].y, data[s.name].z,
data[s.name]['colors'][0].r, data[s.name]['colors'][0].g,
data[s.name]['colors'][0].b, data[s.name]['s'] ? data[s.name]['s'][0] : 1.0);
ph.setPointScale(s.point_scale);
ph.setFog([this.clearColor.components[0], this.clearColor.components[1],
this.clearColor.components[2], this.clearColor.components[3]],
s.fog_intensity)
this.phIndexMap[s.name] = this.pointHelpers.length;
this.pointHelpers.push(ph);
this.min[0] = Faerun.getMin(data[s.name].x, this.min[0]);
this.min[1] = Faerun.getMin(data[s.name].y, this.min[1]);
this.min[2] = Faerun.getMin(data[s.name].z, this.min[2]);
this.max[0] = Faerun.getMax(data[s.name].x, this.max[0]);
this.max[1] = Faerun.getMax(data[s.name].y, this.max[1]);
this.max[2] = Faerun.getMax(data[s.name].z, this.max[2]);
this.maxRadius = ph.getMaxRadius();
if (s.interactive && data[s.name].labels) {
this.octreeHelpers.push(
new Lore.Helpers.OctreeHelper(this.lore, 'Octree_' + s.name, 'tree', ph)
);
this.ohIndexMap[s.name] = this.octreeHelpers.length - 1;
this.ohIndexToPhName.push(s.name);
this.ohIndexToPhIndex.push(this.phIndexMap[s.name]);
}
});
}
initCoords() {
if (!this.coords.show) return;
let min = [0, 0, 0];
let max = [0, 0, 0];
for (var i = 0; i < 3; i++) {
min[i] = this.min[i] - this.coords.offset;
max[i] = this.max[i] + this.coords.offset;
}
this.coordinatesHelper = new Lore.Helpers.CoordinatesHelper(this.lore, 'Coordinates', 'coordinates', {
position: new Lore.Math.Vector3f(min[0], min[1], min[2]),
axis: {
x: {
length: max[0] - min[0],
color: Lore.Core.Color.fromHex(this.coords.color)
},
y: {
length: max[1] - min[1],
color: Lore.Core.Color.fromHex(this.coords.color)
},
z: {
length: max[2] - min[2],
color: Lore.Core.Color.fromHex(this.coords.color)
}
},
ticks: {
enabled: this.coords.ticks,
x: {
length: this.coords.tickLength,
color: Lore.Core.Color.fromHex(this.coords.color),
count: this.coords.tickCount
},
y: {
length: this.coords.tickLength,
color: Lore.Core.Color.fromHex(this.coords.color),
count: this.coords.tickCount
},
z: {
length: this.coords.tickLength,
color: Lore.Core.Color.fromHex(this.coords.color),
count: this.coords.tickCount
}
},
box: {
enabled: this.coords.box,
x: {
color: Lore.Core.Color.fromHex(this.coords.color)
},
y: {
color: Lore.Core.Color.fromHex(this.coords.color)
},
z: {
color: Lore.Core.Color.fromHex(this.coords.color)
}
}
});
}
initAxes() {
// Wait for DOM to get ready
setTimeout(() => {
this.updateTitle(true);
this.updateXAxis(true);
this.updateYAxis(true);
}, 500);
}
initView() {
let center = new Lore.Math.Vector3f(
(this.max[0] + this.min[0]) / 2.0,
(this.max[1] + this.min[1]) / 2.0,
(this.max[2] + this.min[2]) / 2.0
);
this.lore.controls.setLookAt(center);
this.lore.controls.setRadius(this.maxRadius + 100);
this.lore.controls.setView(0.9, -0.5)
this.lore.controls.setViewByName(this.view);
}
initEvents() {
this.lore.controls.addEventListener('updated', () => {
// Update the position / content of the annotations every time
// the view changes
this.updateTitle();
this.updateYAxis();
this.updateXAxis();
this.updateSelectedIndicators();
});
Lore.Helpers.OctreeHelper.joinHoveredChanged(this.octreeHelpers, e => {
let phName = this.ohIndexToPhName[e.source];
if (e.e && data[phName].labels) {
let fullLabel = data[phName].labels[e.e.index];
let labelIndex = this.scatterMeta[this.ohIndexToPhIndex[e.source]]
.label_index[this.seriesState[phName]];
let titleIndex = this.scatterMeta[this.ohIndexToPhIndex[e.source]]
.title_index[this.seriesState[phName]];
let rgbColor = this.pointHelpers[e.source].getColor(e.e.index);
let hexColor = Lore.Core.Color.rgbToHex(rgbColor[0], rgbColor[1], rgbColor[2]);
this.currentPoint = {
index: e.e.index,
fullLabel: fullLabel.split('__'),
source: phName,
label: fullLabel.split('__')[labelIndex],
color: hexColor,
labelIndex: labelIndex,
titleIndex: titleIndex
}
if (FullMolinBkg == true) {
document.getElementById("overlay-structure-container").style.visibility = "visible";
var overlayStruc_Width = document.getElementById("overlay-structure-container").offsetWidth
var overlayStruc_Height = document.getElementById("overlay-structure-container").offsetHeight
if (overlayStruc_Width > overlayStruc_Height) {overlayStruc_Width = overlayStruc_Height}
this.sd = new SmiDrawer({
width: overlayStruc_Width / window.devicePixelRatio,
height: overlayStruc_Width / window.devicePixelRatio,
bondThickness: 1.4,
experimental: true
});
this.setTipContent();
this.sd = new SmiDrawer(this.sdMolOpts);
} else {
document.getElementById("overlay-structure-container").style.visibility = "hidden";
this.setTipContent__();
this.el.tip.classList.add('show');
let pointSize = this.pointHelpers[e.source].getPointSize() / window.devicePixelRatio;
let x = e.e.screenPosition[0];
let y = e.e.screenPosition[1];
this.el.hoverIndicator.style.width = pointSize + 'px';
this.el.hoverIndicator.style.height = pointSize + 'px';
this.el.hoverIndicator.style.left = (x - pointSize / 2.0 - 1) + 'px';
this.el.hoverIndicator.style.top = (y - pointSize / 2.0 - 1) + 'px';
this.el.hoverIndicator.classList.add('show');
}
} else {
this.currentPoint = null;
this.el.tip.classList.remove('show');
this.el.hoverIndicator.classList.remove('show');
}
});
Lore.Helpers.OctreeHelper.joinSelectedChanged(this.octreeHelpers, items => {
this.selectedItems = items;
this.updateSelected();
});
Lore.Helpers.OctreeHelper.joinReselected(this.octreeHelpers, item => {
this.updateSelected(
this.getSelectedIndex(item[0].source, item[0].item.e.index)
);
});
// Event listeners
this.el.selectedPrev.addEventListener('click', e => {
e.preventDefault();
this.updateSelected(this.selectedCurrent - 1);
return false;
});
this.el.selectedNext.addEventListener('click', e => {
e.preventDefault();
this.updateSelected(this.selectedCurrent + 1);
return false;
});
this.el.selectedRemove.addEventListener('click', e => {
e.preventDefault();
let item = this.selectedItems[this.selectedCurrent]
this.octreeHelpers[item.source].removeSelected(item.index);
return false;
});
document.addEventListener('dblclick', e => {
if (this.currentPoint) {
var index = this.currentPoint.index;
var labels = this.currentPoint.label.split('__');
var source = this.currentPoint.source;
eval(this.scatterMeta[this.phIndexMap[source]].ondblclick[this.seriesState[source]]);
}
});
document.addEventListener('mousemove', e => {
if (FullMolinBkg == false) {
document.getElementById("tip").style.visibility = "visible";
if (!this.thumbnailFixed) {
let x = e.clientX;
let y = e.clientY;
if (x > window.innerWidth - this.el.tip.offsetWidth - 20) {
x -= this.el.tip.offsetWidth;
} else {
x += 10;
}
if (y > window.innerHeight - this.el.tip.offsetHeight - 20) {
y -= this.el.tip.offsetHeight;
} else {
y += 10;
}
if (this.el.tip) {
this.el.tip.style.top = y + 'px';
this.el.tip.style.left = x + 'px';
}
}
} else {
document.getElementById("tip").style.visibility = "hidden";
}
});
this.el.selectedToggle.addEventListener('click', e => {
this.el.selectedContainer.classList.toggle('hide');
if (this.el.selectedContainer.classList.contains('hide'))
this.el.selectedToggle.innerHTML = '<i class="fas fa-toggle-off"></i>';
else
this.el.selectedToggle.innerHTML = '<i class="fas fa-toggle-on"></i>';
e.preventDefault();
return false;
});
this.el.showControls.addEventListener('click', e => {
this.el.moreControls.classList.toggle('hide');
e.preventDefault();
return false;
});
this.el.search.addEventListener('click', e => {
let searchTerm = prompt('Please enter a search term:', '');
const results = this.search(searchTerm);
for (const [name, indices] of Object.entries(results)) {
if (!name in this.ohIndexMap) return;
indices.forEach(index => {
this.octreeHelpers[this.ohIndexMap[name]].addSelected(index);
});
}
e.preventDefault();
return false;
});
window.addEventListener('keydown', e => {
if ((e.keyCode == 114) || (e.ctrlKey && e.keyCode == 70)) {
this.search();
e.preventDefault();
return false;
}
});
this.el.export.addEventListener('click', e => {
e.preventDefault();
let canvas = document.getElementById('lore');
let zoom = this.lore.controls.getZoom();
canvas.style.width = (canvas.width * 2) + 'px';
canvas.style.height = (canvas.height * 2) + 'px';
this.lore.controls.setZoom(zoom * 2);
setTimeout(() => {
let blob = this.lore.canvas.toBlob(blob => {
let a = document.createElement('a');
a.href = URL.createObjectURL(blob);
a.setAttribute('download', 'export.png');
a.click();
setTimeout(() => {
canvas.style.width = '100%';
canvas.style.height = '100%';
lore.controls.setZoom(zoom);