console.log("loaded pw.js")
function predictFromNode(url) {
$.post("", {node: url})
.done(function (data) {
console.log("Success:", data);
window.location.href = data.success;
})
.fail(function (xhr, status, error) {
console.error("Error:", xhr.status, xhr.responseText);
// show user-friendly message or log error
});
}
// data = {{ pathway.d3_json | safe }};
// elem = 'vizdiv'
function draw(pathway, elem) {
const nodeRadius = 20;
const linkDistance = 100;
const chargeStrength = -200;
const depthSpacing = 150;
const width = document.getElementById(elem).offsetWidth, height = width * 0.75;
function assignPositions(nodes) {
const levelSpacing = 75; // vertical space between levels
const horizontalSpacing = 75; // horizontal space between nodes
const depthMap = new Map();
nodes.forEach(node => {
if (!depthMap.has(node.depth)) {
depthMap.set(node.depth, 0);
}
const nodesInLevel = nodes.filter(n => n.depth === node.depth).length;
node.fx = width / 2 + depthMap.get(node.depth) * horizontalSpacing - ((nodesInLevel - 1) * horizontalSpacing) / 2;
node.fy = node.depth * levelSpacing + 50;
depthMap.set(node.depth, depthMap.get(node.depth) + 1);
});
}
// Funktion für das Update der Positionen
function ticked() {
link.attr("x1", d => d.source.x)
.attr("y1", d => d.source.y)
.attr("x2", d => d.target.x)
.attr("y2", d => d.target.y);
node.attr("transform", d => `translate(${d.x},${d.y})`);
nodes.forEach(n => {
if (n.pseudo) {
// Alle Kinder dieses Pseudonodes finden
const childLinks = links.filter(l => l.source.id === n.id);
const childNodes = childLinks.map(l => l.target);
if (childNodes.length > 0) {
// Durchschnitt der Kinderpositionen berechnen
const avgX = d3.mean(childNodes, d => d.x);
const avgY = d3.mean(childNodes, d => d.y);
n.fx = avgX;
// keep level as is
n.fy = n.y;
}
}
});
//simulation.alpha(0.3).restart();
}
function dragstarted(event, d) {
if (!event.active) simulation.alphaTarget(0.3).restart();
d.fx = d.x; // Setzt die Fixierung auf die aktuelle Position
d.fy = d.y;
}
function dragged(event, d) {
d.fx = event.x; // Position direkt an Maus anpassen
d.fy = event.y;
}
function dragended(event, d) {
if (!event.active) simulation.alphaTarget(0);
// Knoten bleibt an der neuen Position und wird nicht zurückgezogen
}
// t -> ref to "this" from d3
function nodeClick(event, node, t) {
console.log(node);
d3.select(t).select("circle").classed("highlighted", !d3.select(t).select("circle").classed("highlighted"));
}
// Wait one second before showing popup
var popupWaitBeforeShow = 1000;
// Keep Popup at least for one second
var popushowAtLeast = 1000;
function pop_show_e(element) {
var e = element;
setTimeout(function () {
if ($(e).is(':hover')) { // if element is still hovered
$(e).popover("show");
// workaround to set fixed positions
pop = $(e).attr("aria-describedby")
h = $('#' + pop).height();
$('#' + pop).attr("style", `position: fixed; top: ${clientY - (h / 2.0)}px; left: ${clientX + 10}px; margin: 0px; max-width: 1000px; display: block;`)
setTimeout(function () {
var close = setInterval(function () {
if (!$(".popover:hover").length // mouse outside popover
&& !$(e).is(':hover')) { // mouse outside element
$(e).popover('hide');
clearInterval(close);
}
}, 100);
}, popushowAtLeast);
}
}, popupWaitBeforeShow);
}
function pop_add(objects, title, contentFunction) {
objects.attr("id", "pop")
.attr("data-container", "body")
.attr("data-toggle", "popover")
.attr("data-placement", "right")
.attr("title", title);
objects.each(function (d, i) {
options = {trigger: "manual", html: true, animation: false};
this_ = this;
var p = $(this).popover(options).on("mouseenter", function () {
pop_show_e(this);
});
p.on("show.bs.popover", function (e) {
// this is to dynamically ajdust the content and bounds of the popup
p.attr('data-content', contentFunction(d));
p.data("bs.popover").setContent();
p.data("bs.popover").tip().css({"max-width": "1000px"});
});
});
}
function node_popup(n) {
popupContent = "" + n.name + "
";
popupContent += "Depth " + n.depth + "
"
if (appDomainViewEnabled) {
if(n.app_domain != null) {
popupContent += "This compound is " + (n.app_domain['inside_app_domain'] ? "inside" : "outside") + " the Applicability Domain derived from the chemical (PCA) space constructed using the training data." + "
"
if (n.app_domain['uncovered_functional_groups']) {
popupContent += "Compound contains functional groups not covered by the training set
"
}
}
}
popupContent += "
"
if (n.scenarios.length > 0) {
popupContent += 'Half-lives and related scenarios:
'
for (var s of n.scenarios) {
popupContent += "" + s.name + "
";
}
}
var isLeaf = pathway.links.filter(obj => obj.source.id === n.id).length === 0;
if(pathway.isIncremental && isLeaf) {
popupContent += '
Predict from here
';
}
return popupContent;
}
function edge_popup(e) {
popupContent = "" + e.name + "
";
if(e.app_domain){
adcontent = "
";
if(e.app_domain["times_triggered"]) {
adcontent += "This rule triggered " + e.app_domain["times_triggered"] + " times in the training set
";
}
adcontent += "Reliability " + e.app_domain["reliability"].toFixed(2) + " (" + (e.app_domain["reliability"] > e.app_domain["reliability_threshold"] ? ">" : "<") + " Reliability Threshold of " + e.app_domain["reliability_threshold"] + ")
";
adcontent += "Local Compatibility " + e.app_domain["local_compatibility"].toFixed(2) + " (" + (e.app_domain["local_compatibility"] > e.app_domain["local_compatibility_threshold"] ? ">" : "<") + " Local Compatibility Threshold of " + e.app_domain["local_compatibility_threshold"] + ")
";
adcontent += "