adjusted migration
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Initial bayer app

Show Pack Classification

Adjusted docker compose to bayer specifics

Adjusted Dockerfile for Bayer

Adding secret flags to group, add secret pools to packages

Adjusted View for Package creation

Prep configs, added Package Create Modal

wip

More on PES

wip

wip

Wip

minor

PW interactions

API PES

wip

Make Select Widget reflect required

make required generallay available

Update UI if pathway mode is set to build

Added ais

circle adjustments

Initial Zoom, fix AD Creation

wip

auth log, bb4g fix

missing import

Added viz hint if PES is part of reaction

Add Edge check for pes

flip boolean

...

pes

Added extra

...

In / Out Edges Viz, Submitting Button Text

...

Make PES Link clickable

Return proper http response instead of error

Fixed error return, removed unused options

Fix PES Link HTML for other entities

Fixed molfile assignment, adjusted Export

Package Export/Import cycle

highlight Description links

implemented non persistent

Harmonised proposed field in Json output

Added pesLink field to PW Api output

PES Fields in API Output

removed debug

Fix Classification import, Fix PES Deserialization

underline pes link in templates

Fix alter name/desc for node, make /node /edge funcitonal

provide setting link and copy button

Implemented Compound Names / Reaction Names View Option

Unconnected Nodes

Make links thicker, reduce timeout trigger time

Show proposed info in popover

Pathway Build no stereo removal

Include probs in reaction name option viz

Detect clicks outside nodes/edges
This commit is contained in:
Tim Lorsbach
2026-03-06 15:15:08 +01:00
parent 2c2437e3f5
commit 1d2bb85c90
81 changed files with 1614857 additions and 3531 deletions

View File

@ -67,6 +67,9 @@ function draw(pathway, elem) {
const horizontalSpacing = 75; // horizontal space between nodes
const depthMap = new Map();
// Avoid leaving unconnected Nodes leaving the viewport
nodes.forEach(node => {if (node.depth < 0) node.depth = 0;});
// Sort nodes by depth first to minimize crossings
const sortedNodes = [...nodes].sort((a, b) => a.depth - b.depth);
@ -154,6 +157,10 @@ function draw(pathway, elem) {
});
node.attr("transform", d => `translate(${d.x},${d.y})`);
linkText
.attr("x", d => (d.source.x + d.target.x) / 2)
.attr("y", d => (d.source.y + d.target.y) / 2);
}
function dragstarted(event, d) {
@ -256,7 +263,7 @@ function draw(pathway, elem) {
}
// Wait before showing popup (ms)
var popupWaitBeforeShow = 1000;
var popupWaitBeforeShow = 500;
// Custom popover element
let popoverTimeout = null;
@ -488,7 +495,7 @@ function draw(pathway, elem) {
if (n.stereo_removed) {
popupContent += "<span class='alert alert-warning alert-soft'>Removed stereochemistry for prediction</span>";
}
popupContent += "<a href='" + n.url + "'>" + n.name + "</a><br>";
popupContent += "<a href='" + n.url + "'>" + n.plain_name + "</a><br>";
popupContent += "Depth " + n.depth + "<br>"
if (appDomainViewEnabled) {
@ -528,6 +535,22 @@ function draw(pathway, elem) {
popupContent += '<b>Half-lives and related scenarios:</b><br>'
for (var s of n.scenarios) {
popupContent += "<a href='" + s.url + "'>" + s.name + "</a><br>";
for (var prop in n.proposed) {
if (n.proposed[prop].scenarioId === s.url) {
if("proposed" in n.proposed[prop]){
popupContent += "This compound is a proposed intermediate" + "<br>";
}
if("Confidence" in n.proposed[prop]){
popupContent += "Confidence: " + n.proposed[prop]["Confidence"] + "<br>";
}
if("Transformation product importance" in n.proposed[prop]){
popupContent += "Transformation product importance: " + n.proposed[prop]["Transformation product importance"] + "<br>";
}
}
}
popupContent += "<br>";
}
}
@ -540,7 +563,7 @@ function draw(pathway, elem) {
}
function edge_popup(e) {
popupContent = "<a href='" + e.url + "'>" + e.name + "</a><br><br>";
popupContent = "<a href='" + e.url + "'>" + e.plain_name + "</a><br><br>";
if (e.reaction.rules) {
for (var rule of e.reaction.rules) {
@ -591,7 +614,7 @@ function draw(pathway, elem) {
// Add background rectangle FIRST to enable pan/zoom on empty space
// This must be inserted before zoomable group so it's behind everything
svg.insert("rect", "#zoomable")
const rect = svg.insert("rect", "#zoomable")
.attr("x", 0)
.attr("y", 0)
.attr("width", width)
@ -600,6 +623,31 @@ function draw(pathway, elem) {
.attr("pointer-events", "all")
.style("cursor", "grab");
// Click on empty SVG space (not on a node or link)
rect.on("click", function(event) {
// Only treat it as a background click if the direct target is the rect itself
// (clicks on nodes/links bubble up but originate from different elements)
const target = event.target;
const isNode = target.closest && (
target.closest("circle") !== null ||
target.closest("image") !== null ||
target.closest(".node") !== null
);
const isLink = target.closest && (
target.closest("path.link") !== null ||
target.closest("path.link_no_arrow") !== null
);
if (!isNode && !isLink) {
// console.log("Clicked outside a node or link");
// Clear all highlights
d3.selectAll("circle").classed("highlighted", false);
d3.selectAll("path").classed("highlighted", false);
d3.selectAll("path").classed("inedge", false);
d3.selectAll("path").classed("outedge", false);
}
});
// Zoom Funktion aktivieren
const zoom = d3.zoom()
.scaleExtent([0.5, 5])
@ -647,21 +695,31 @@ function draw(pathway, elem) {
.on("tick", ticked);
// Kanten zeichnen
const link = zoomable.append("g")
.selectAll("path")
.data(links)
.enter().append("path")
// Check if target is pseudo and draw marker only if not pseudo
.attr("class", d => d.target.pseudo ? "link_no_arrow" : "link")
.attr("marker-end", d => {
if (d.target.pseudo) return '';
if (d.source.id === d.target.id) return 'url(#curve-arrow)'; // Use curve arrow for self-loops
return d.multi_step ? 'url(#doublearrow)' : 'url(#arrow)';
})
.attr("fill", "none")
.on("click", function(event, d) {
const linkGroup = zoomable.append("g")
.selectAll("g")
.data(links)
.enter()
.append("g")
.attr("class", "link-group");
const link = linkGroup
.append("path")
.attr("class", d => d.target.pseudo ? "link_no_arrow" : "link")
.attr("marker-end", d => d.target.pseudo ? "" : "url(#arrow)")
.attr("fill", "none")
// Check if target is pseudo and draw marker only if not pseudo
.attr("class", d => d.target.pseudo ? "link_no_arrow" : "link")
.attr("marker-end", d => {
if (d.target.pseudo) return '';
if (d.source.id === d.target.id) return 'url(#curve-arrow)'; // Use curve arrow for self-loops
return d.multi_step ? 'url(#doublearrow)' : 'url(#arrow)';
}
)
.attr("fill", "none")
.on("click", function(event, d) {
const wasHighlighted = d3.select(this).classed("highlighted");
d3.selectAll("path").classed("highlighted", false);
d3.selectAll("path").classed("highlighted", false);
if (!wasHighlighted) {
const toHighlight = [];
toHighlight.push(d.el);
@ -688,6 +746,32 @@ function draw(pathway, elem) {
}
});
function reaction_name(d) {
const to_pseudo = d?.to_pseudo || false;
if (to_pseudo) {
return "";
}
var suffix = "";
if ("reaction_probability" in d) {
suffix = " (p= " + d["reaction_probability"].toFixed(2) + ")"
}
return d.plain_name + suffix;
}
const linkText = linkGroup
.append("text")
.attr("class", "link-label")
.attr("text-anchor", "middle")
.attr("dy", -6)
.style("font-size", "4px")
.style("pointer-events", "none")
.style("display", "none")
.text(d => reaction_name(d))
.attr("x", d => (d.source.x + d.target.x) / 2)
.attr("y", d => (d.source.y + d.target.y) / 2);
// add element to links array
link.each(function (d) {
d.el = this; // attach the DOM element to the data object