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- -var legend = svglegend.selectAll(".legend") - .data(legendposition) - .enter() - .append("g") - .attr("class","legend") - .attr("transform", function(d,i) {return "translate(0," + d + ")"; }); - -legend.append("text") - .attr("x", 80) - .attr("y", 0) - .attr("dy", ".35em") - .style("text-anchor", "start") - .text(function(d,i){return groupnames[i]}); - -legend.append("circle") - .attr("r", r) - .attr("cx",30-r) - .style("fill", color); - -var legendarrow = svglegend.selectAll(".legendarr") - .data(arrowlegendposition) - .enter() - .append("g") - .attr("class","legendarr") - .attr("transform", function(d) { return "translate(0," + d + ")"; }); - -legendarrow.append("line") - .attr("x1", 10) - .attr("x2", 50) - .attr("y1", 10) - .attr("y2", 10) - .style("stroke-dasharray",linetype) - .style("stroke", '#999') - .style("stroke-width", "1px") - .style('pointer-events', 'none') - .attr('marker-end',updateMarker('#999',this)); - -legendarrow.append("text") - .attr("x", 80) - .attr("y", 10) - .attr("dy", ".35em") - .style("text-anchor", "start") - .text(function(d,i){return arrowgroupnames[i]}); 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- -/** -* loads JSON data and calls the update function -*/ -d3.json("json_text.json").then(function(graph) { - update(graph.links, graph.nodes); -}) - -/** -* calls update functions for xAxis, links and nodes -* adds the nodes and links to the simulation -* updates the positions of the links and nodes when the - state of the layout has changed (simulation has advanced by a tick) -* @param {object} nodes - nodes -* @param {object} links - links -*/ -function update(links, nodes) { //THISS - updateXAxis(nodes); - updateLinks(links); - updateNodes(nodes); - - simulation - .nodes(nodes) - .on("tick", tickHandler); - simulation.force("link") - .links(links); - - link - .attr('marker-end', function(d) {return updateMarker("#999", d.target);}) - .style("stroke-dasharray",function(d){return self_cit(d.source,d.target)? ("8,8"): ("1,0")}); -} - -/** -* initializes and shows xAxis THISS -* @param {object} nodes - nodes -*/ -function updateXAxis(nodes) { - years = []; - for (i = 0; i < nodes.length; i++) { - years.push(parseInt((nodes[i]["year"]).split(" ")[2])); - } - - console.log(years) - xscale = d3.scaleLinear() - .domain([d3.min(years)-10, d3.max(years)+10]) - .range([50, width-50]) - - xAxis.scale(xscale); - gX.call(xAxis); -} - -/** -* initializes and shows links -* @param {object} links - links -*/ -function updateLinks(links) { - link = g.append("g") - .selectAll(".link") - .data(links) - .enter() - .append("line") - .style("stroke-width", "1px") - .style("stroke", "#999") - .attr("class", "link"); -} - -/** -* initializes and shows nodes with circles and texts -* creates a new drag behavior and applies it to the circles -* creates a click functionality of the circles and texts -* @param {object} nodes - nodes -*/ -function updateNodes(nodes) { - node = g.selectAll(".node") - .data(nodes) - .enter() - .append("g") - .attr("class", "node") - .attr('dx', function(d) {return xscale(parseInt((d.year).split(" ")[2]))}) - .attr("initial_x", function(d) {return d.dx;}) - .attr("initial_y", function(d) {return d.dy;}) - .call(d3.drag() - .on("start", dragstarted) - .on("drag", dragged) - .on("end", dragended) - ); - - node.append("circle") - .attr("class", "circle") - .attr("r", function(d) {return 1.5*r+d.citations*0.05}) - .style("fill", function(d){ return color(d.group)}) - .on('click', clickNode); - - node.append("text") - .attr("class", "text") - .style("font-size", "15px") - .style('pointer-events', 'auto') - .text(function (d) { - const firstauthor = d.author[0].split(" ") - return firstauthor[firstauthor.length-1]; - }) - .on('click', clickNode); -} - -/** -* creates arrowhead and returns its url -* @param {string} color - color of arrowhead -* @param {string} target - target-node -*/ -function updateMarker(color, target) { - var radius=1.5*r+target.citations*0.05 - svg.append('defs').append('marker')//arrowhead - .attr('id',color.replace("#", "")+radius) - .attr('viewBox','-0 -5 10 10') - .attr('refX',radius+9.5) - .attr('refY',0) - .attr('orient','auto') - .attr('markerWidth',10) - .attr('markerHeight',15) - .attr('xoverflow','visible') - .append('svg:path') - .attr('d', 'M 0,-5 L 10 ,0 L 0,5') - .attr('fill', color)//arrowhead color - .style('stroke','none'); - return "url(" + color + radius + ")"; -}; - -/** -* colors the circle and its links black and removes the previous markings -* @param {object} node - node -*/ -function clickNode(node) { - if(toRemove){ - d3.select(toRemove).selectAll(".circle").style("stroke","none") - } - toRemove = this.parentNode; - d3.select(this.parentNode).selectAll(".circle").style("stroke","black") - marklink(node) - textfunc(node) - resetbuttonhighlight() - highlightbutton("overview") - fix_nodes(node); -} - -/** -* removes the markings of the circles and their links -*/ -function clickRect() { - d3.selectAll(".circle").style("stroke", "none") - d3.selectAll(".link") - .style("stroke", "#999") - .attr('marker-end', function(d) {return updateMarker('#999', d.target);}) - document.getElementById('textbox').innerHTML = "Click node"; - fix_nodes(node); -} - -function create_author_array(authors){ - //authorarray = authors.split(",") - //authorarray = authorarray.map(elem =>{return elem.trim();}) - - //return authorarray -} - -function self_cit(source,target){ - //sourceauthors = create_author_array(source.author) - //targetauthors = create_author_array(target.author) - - return source.author.some(item=>target.author.includes(item)) -} -/** -* sets color of link (line and arrowhead) to black if it is directly connected to node -* and to grey otherwise -* @param {object} node - node -*/ -function marklink(node){ - d3.selectAll(".link") - .style("stroke", function(o) { - return isLinkForNode(node, o) ? "black" : "#999";}) - .attr('marker-end', function(o) { - return isLinkForNode(node, o) ? updateMarker('#000000', o.target) : updateMarker('#999', o.target);}) -} - -/** -* returns true if link is directly connected to node and false if it is not -* @param {object} node - node -* @param {object} link - link -*/ -function isLinkForNode(node, link){ - return link.source.index == node.index || link.target.index == node.index; -} - - -/** -* returns last name of first author -* @param {string} authors - the comma-separated string of authors -*/ -function firstauthor(authors){ - if (/,/.test(authors)==false){ - var firstauthor=/^.*\s+([\w\-]+)[\.\s]*$/.exec(authors) - } - else { - var firstauthor=/^[\s\w\.\-]*\s([\w\-]+)[\.\s]*,.*$/.exec(authors) - } - return firstauthor[1] -} - -/** -* outputs node info to textbox -* @param {object} node - data of current node -*/ -function textfunc(node){ - textinfo="Title:" + '</br>' + node.name + - '</br>' +'</br>'+"Author:"+ '</br>' +node.author+'</br>'+'</br>'+"Year:"+'</br>' - +node.year+'</br>'+'</br>'+"doi:"+'</br>'+'<a href="'+node.doi+ '">'+node.doi - +'</a>'+'</br>'+'</br>'+"Citations:"+'</br>'+node.citations; - textabstract=node.abstract; - document.getElementById('textbox').innerHTML = textinfo; -} - - -function highlightbutton(btn){ - resetbuttonhighlight(); - document.getElementById(btn).style.background="#DCDCDC"; -} -function resetbuttonhighlight(){ - document.getElementById("overview").style.background=''; - document.getElementById("abstract").style.background=''; -} - -function displayabstract(a){ - if(textabstract=='' && textinfo==''){ - document.getElementById('textbox').innerHTML="Click node"; - } - else{ - if (a==true){ - document.getElementById('textbox').innerHTML =textabstract; - } - else{ - document.getElementById('textbox').innerHTML =textinfo; - } - } -} - - -/** -* updates the positions of the links and nodes -*/ -function tickHandler() { - link.attr("x1", function (d) {return xscale(parseInt((d.source.year).split(" ")[2]));}) - .attr("y1", function (d) {return d.source.y;}) - .attr("x2", function (d) {return xscale(parseInt((d.target.year).split(" ")[2]));}) - .attr("y2", function (d) {return d.target.y;}); - node.attr("transform", function (d) {return "translate(" + xscale(parseInt((d.year).split(" ")[2])) + ", " + d.y + ")";}); -} - -/** -* initializes the dragging of the node -* @param {object} node - data of current node -*/ -function dragstarted(node) { - if (!d3.event.active) - simulation.alphaTarget(0.3).restart() - //node.fx = node.x; - node.fy = node.y; - fix_nodes(node); -} - -/** -* applies the dragging to the node -* @param {object} node - data of current node -*/ -function dragged(node) { - // node.fx = d3.event.x; - node.fy = d3.event.y; - fix_nodes(node); -} -function fix_nodes(this_node) { - node.each(function(d) { - if (this_node != d) { - d.fx = d.x; - d.fy = d.y; - } - }); - } - -/** -* ends the dragging and resets the position of the node -* @param {object} node - data of current node -*/ -function dragended(node) { - if (!d3.event.active) simulation.alphaTarget(.03); - node.fx = null; - //node.fy = null; -} - -/** -* resets the positions of the nodes -*/ -function resetGraph() { - d3.selectAll(".node").each(function(d) { - d.fx = d.initial_x; - d.fy = d.initial_y; - }) -} - -/** -* applies the transformation (zooming or dragging) to the g element -*/ -function zoomHandler() { - d3.select('g').attr("transform", d3.event.transform); - var new_xScale = d3.event.transform.rescaleX(xscale) - gX.call(xAxis.scale(new_xScale)); -} - -/** -* transforms svg so that that the zoom is reset -*/ -function resetZoom() { - d3.select('svg') - .call(zoom.scaleTo, 1); -} - -/** -* transforms svg so that it is centered -*/ -function center() { - d3.select('svg') - .call(zoom.translateTo, 0.5 * width, 0.5 * height); -} - - -function savesvg(){ - var svgString = getSVGString(d3.select("svg.legendsvg").node()); - svgString2Image( svgString, 2*width, 2*height, 'png', save ); // passes Blob and filesize String to the callback - - function save( dataBlob, filesize ){ - saveAs( dataBlob, 'D3 vis exported to PNG.png' ); // FileSaver.js function - } -}; - -// Below are the functions that handle actual exporting: -// getSVGString ( svgNode ) and svgString2Image( svgString, width, height, format, callback ) -function getSVGString( svgNode ) { - svgNode.setAttribute('xlink', 'http://www.w3.org/1999/xlink'); - var cssStyleText = getCSSStyles( svgNode ); - appendCSS( cssStyleText, svgNode ); - - var serializer = new XMLSerializer(); - var svgString = serializer.serializeToString(svgNode); - svgString = svgString.replace(/(\w+)?:?xlink=/g, 'xmlns:xlink='); // Fix root xlink without namespace - svgString = svgString.replace(/NS\d+:href/g, 'xlink:href'); // Safari NS namespace fix - - return svgString; - - function getCSSStyles( parentElement ) { - var selectorTextArr = []; - - // Add Parent element Id and Classes to the list - selectorTextArr.push( '#'+parentElement.id ); - for (var c = 0; c < parentElement.classList.length; c++) - if ( !contains('.'+parentElement.classList[c], selectorTextArr) ) - selectorTextArr.push( '.'+parentElement.classList[c] ); - - // Add Children element Ids and Classes to the list - var nodes = parentElement.getElementsByTagName("*"); - for (var i = 0; i < nodes.length; i++) { - var id = nodes[i].id; - if ( !contains('#'+id, selectorTextArr) ) - selectorTextArr.push( '#'+id ); - - var classes = nodes[i].classList; - for (var c = 0; c < classes.length; c++) - if ( !contains('.'+classes[c], selectorTextArr) ) - selectorTextArr.push( '.'+classes[c] ); - } - - // Extract CSS Rules - var extractedCSSText = ""; - for (var i = 0; i < document.styleSheets.length; i++) { - var s = document.styleSheets[i]; - - try { - if(!s.cssRules) continue; - } catch( e ) { - if(e.name !== 'SecurityError') throw e; // for Firefox - continue; - } - - var cssRules = s.cssRules; - for (var r = 0; r < cssRules.length; r++) { - if ( contains( cssRules[r].selectorText, selectorTextArr ) ) - extractedCSSText += cssRules[r].cssText; - } - } - - - return extractedCSSText; - - function contains(str,arr) { - return arr.indexOf( str ) === -1 ? false : true; - } - - } - - function appendCSS( cssText, element ) { - var styleElement = document.createElement("style"); - styleElement.setAttribute("type","text/css"); - styleElement.innerHTML = cssText; - var refNode = element.hasChildNodes() ? element.children[0] : null; - element.insertBefore( styleElement, refNode ); - } -} - - -function svgString2Image( svgString, width, height, format, callback ) { - var format = format ? format : 'png'; - - var imgsrc = 'data:image/svg+xml;base64,'+ btoa( unescape( encodeURIComponent( svgString ) ) ); // Convert SVG string to data URL - - var canvas = document.createElement("canvas"); - var context = canvas.getContext("2d"); - - canvas.width = width; - canvas.height = height; - - var image = new Image(); - image.onload = function() { - context.clearRect ( 0, 0, width, height ); - context.drawImage(image, 0, 0, width, height); - - canvas.toBlob( function(blob) { - var filesize = Math.round( blob.length/1024 ) + ' KB'; - if ( callback ) callback( blob, filesize ); - }); - - - }; - - image.src = imgsrc; -} \ No newline at end of file diff --git a/Output/Graph_mit_Zeitstrahl/index.html b/Output/Graph_mit_Zeitstrahl/index.html deleted file mode 100644 index ac85e8f7d9510a38033a5f0cbe8dcfe438982708..0000000000000000000000000000000000000000 --- a/Output/Graph_mit_Zeitstrahl/index.html +++ /dev/null @@ -1,107 +0,0 @@ -<!DOCTYPE html> -<html lang="en"> -<head> - <meta charset="utf-8"> - - <style type="text/css"> - button { - width: 100px; - height:20px; - display: flex; - justify-content: center; - position: absolute; - left: 430px; - top: 575px; - } - - button.resetGraph {} - - button.resetZoom { - margin-left: 110px; - } - - button.center { - margin-left: 220px; - } - - button.save{ - margin-left: 330px; - } - button.abstract{ - width:146px; - position:absolute; - top: 181px; - left: 1114px; - border-radius:0; - border:1px solid #909090; - } - button.overview{ - width:147px; - position:absolute; - display:inline-block; - top: 181px; - left: 968px; - border-radius:0; - border:1px solid #909090; - } - - div.legendbox { - width:270px; - height:170px; - padding: 10px; - /*border: 1px solid #999;*/ - position: absolute; - top: 10px; - left: 968px; - display: inline-block; - margin: 0; - } - - div.textbox{ - width:270px; - min-height:200px; - max-height:370px; - padding: 10px; - border: 1px solid #999; - position: absolute; - top: 200px; - left: 968px; - display: inline-block; - overflow-y: scroll; - margin: 0; - } - </style> -</head> - -<body> - <!-- for testing --> - <p id="id"></p> <!--for commenting with document.getElementById("id").innerHTML = "text"; --> - - <!-- graph --> - <svg class="graph" width="960" height="560"></svg> - - <!-- legend --> - <div class="legendbox"> <svg class="legendsvg"></svg></div> - - <!-- textbox --> - <div class="textbox" id = "textbox">Click node</div> - - <!-- reset buttons --> - <!-- <button onclick="javascript:location.reload();">Reload</button>--> - <button class="resetGraph" onclick="resetGraph()">Reset graph</button> - <button class="resetZoom" onclick="resetZoom()">Reset zoom</button> - <button class="center" onclick="center()">Center</button> - <button class="save" onclick="savesvg()">Save</button> - <button id="overview" class="overview" onclick='displayabstract(false),highlightbutton("overview")'>Overview</button> - <button id="abstract" class="abstract" onclick='displayabstract(true),highlightbutton("abstract")'>Abstract</button> - - - <!-- link D3 (version 5) --> - <script src="https://d3js.org/d3.v5.min.js"></script> - <script src="https://cdnjs.cloudflare.com/ajax/libs/d3-legend/2.13.0/d3-legend.js"></script> - <script src="https://cdn.rawgit.com/eligrey/canvas-toBlob.js/f1a01896135ab378aa5c0118eadd81da55e698d8/canvas-toBlob.js"></script> - <script src="https://cdn.rawgit.com/eligrey/FileSaver.js/e9d941381475b5df8b7d7691013401e171014e89/FileSaver.min.js"></script> - <script type="text/javascript" src="cn_Zeitstrahl.js"></script> - -</body> -</html> \ No newline at end of file diff --git a/Output/Graph_mit_Zeitstrahl/index_alt.html b/Output/Graph_mit_Zeitstrahl/index_alt.html deleted file mode 100644 index 9cdd0bdaa4a6051f52eb34aa894e3521fce236a9..0000000000000000000000000000000000000000 --- a/Output/Graph_mit_Zeitstrahl/index_alt.html +++ /dev/null @@ -1,59 +0,0 @@ -<!DOCTYPE html> -<html lang="en"> -<head> - <meta charset="utf-8"> - - <style type="text/css"> - /* - button { - width: 150px; - font-size: 15px; - padding: 7px; - border-radius: 3px; - border: 3px solid #999; - color: black; - cursor: pointer; - position : absolute; - top: 500px; - right: 550px; - } */ - - /* textbox */ - div { - width:270px; - min-height:200px; - max-height:370px; - padding: 10px; - border: 1px solid #999; - position: absolute; - top: 20px; - left: 980px; - display: inline-block; - overflow-y: scroll; - margin: 0; - } - </style> -</head> - -<body> - <!-- for testing --> - <p id="id"></p> <!--for commenting with document.getElementById("id").innerHTML = "text"; --> - - <!-- graph --> - <svg width="960" height="600"></svg> - - <!-- textbox --> - <div id = "textbox" style="border:1px solid">Click node</div> - - <!-- reset-buttons --> - <button onclick="javascript:location.reload();">Reload</button> - <button onclick="resetGraph()">Reset graph</button> - <button onclick="resetZoom()">Reset zoom</button> - <button onclick="center()">Center</button> - - <!-- link D3 (version 5) --> - <script src="https://d3js.org/d3.v5.min.js"></script> - <script type="text/javascript" src="cn_Zeitstrahl.js"></script> - -</body> -</html> \ No newline at end of file diff --git a/Output/Graph_mit_Zeitstrahl/json_text.json b/Output/Graph_mit_Zeitstrahl/json_text.json deleted file mode 100644 index 35b5f8923f9fc24c83c817184f9aab2f5c1edf96..0000000000000000000000000000000000000000 --- a/Output/Graph_mit_Zeitstrahl/json_text.json +++ /dev/null @@ -1,437 +0,0 @@ -{ - "nodes": [ - { - "name": "AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings", - "author": [ - "Jerome Eberhardt", - "Diogo Santos-Martins", - "Andreas F. Tillack", - "Stefano Forli" - ], - "year": "July 19, 2021", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/acs.jcim.1c00203", - "group": "input", - "citations":20 - }, - { - "name": "Accelerating AutoDock4 with GPUs and Gradient-Based Local Search", - "author": [ - "Diogo Santos-Martins", - "Leonardo Solis-Vasquez", - "Andreas F Tillack", - "Michel F Sanner", - "Andreas Koch", - "Stefano Forli" - ], - "year": "January 6, 2021", - "journal": "Journal of Chemical Theory and Computation", - "doi": "https://doi.org/10.1021/acs.jctc.0c01006", - "group": "depth", - "citations":21 - }, - { - "name": "Docking Flexible Cyclic Peptides with AutoDock CrankPep", - "author": [ - "Yuqi Zhang", - "Michel F. Sanner" - ], - "year": "September 11, 2019", - "journal": "Journal of Chemical Theory and Computation", - "doi": "https://doi.org/10.1021/acs.jctc.9b00557", - "group": "depth", - "citations":40 - }, - { - "name": "Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise", - "author": [ - "David Ryan Koes", - "Matthew P. Baumgartner", - "Carlos J. Camacho" - ], - "year": "February 4, 2013", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/ci300604z", - "group": "depth", - "citations":80 - }, - { - "name": "Vina-Carb: Improving Glycosidic Angles during Carbohydrate Docking", - "author": [ - "Anita K. Nivedha", - "David F. Thieker", - "Spandana Makeneni", - "Huimin Hu", - "Andreas F Tillack", - "Robert J. Woods" - ], - "year": "January 8, 2016", - "journal": "Journal of Chemical Theory and Computation", - "doi": "https://doi.org/10.1021/acs.jctc.5b00834", - "group": "depth", - "citations":100 - }, - { - "name": "Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems", - "author": [ - "Stefano Forli", - "Maurizio Botta" - ], - "year": "June 22, 2007", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/ci700036j", - "group": "depth", - "citations":150 - }, - { - "name": "AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins", - "author": [ - "Diogo Santos-Martins", - "Stefano Forli", - "Maria Jo\u00e3o Ramos", - "Arthur J. Olson" - ], - "year": "June 15, 2014", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/ci500209e", - "group": "depth", - "citations":100 - }, - { - "name": "A Force Field with Discrete Displaceable Waters and Desolvation Entropy for Hydrated Ligand Docking", - "author": [ - "Stefano Forli", - "Arthur J. Olson" - ], - "year": "December 9, 2011", - "journal": "Journal of Medicinal Chemistry", - "doi": "https://doi.org/10.1021/jm2005145", - "group": "depth", - "citations":500 - }, - { - "name": "Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context", - "author": [ - "Douglas R. Houston", - "Malcolm D. Walkinshaw" - ], - "year": "January 27, 2013", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/ci300399w", - "group": "depth", - "citations":200 - }, - { - "name": "Inhomogeneous Fluid Approach to Solvation Thermodynamics. 1. Theory", - "author": [ - "Themis Lazaridis" - ], - "year": "April 14, 1998", - "journal": "Journal of Physical Chemistry B", - "doi": "https://doi.org/10.1021/jp9723574", - "group": "depth", - "citations":80 - }, - { - "name": "Inhomogeneous Fluid Approach to Solvation Thermodynamics. 2. Applications to Simple Fluids", - "author": [ - "Themis Lazaridis", - "Andreas F Tillack" - ], - "year": "April 14, 1998", - "journal": "Journal of Physical Chemistry B", - "doi": "https://doi.org/10.1021/jp972358w", - "group": "depth", - "citations":110 - }, - { - "name": "ZINC20\u2014A Free Ultralarge-Scale Chemical Database for Ligand Discovery", - "author": [ - "John J. Irwin", - "Khanh G. Tang", - "Jennifer Young", - "Chinzorig Dandarchuluun", - "Benjamin R. Wong", - "Munkhzul Khurelbaatar", - "Yurii S. Moroz", - "John Mayfield", - "Roger A. Sayle" - ], - "year": "October 29, 2020", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/acs.jcim.0c00675", - "group": "depth", - "citations":270 - }, - { - "name": "Structural Biology-Inspired Discovery of Novel KRAS\u2013PDE\u03b4 Inhibitors", - "author": [ - "Yan Jiang", - "Chunlin Zhuang", - "Long Chen", - "Junjie Lu", - "Guoqiang Dong", - "Zhenyuan Miao", - "Wannian Zhang", - "Jian Li", - "Chunquan Sheng" - ], - "year": "September 20, 2017", - "journal": "Journal of Medicinal Chemistry", - "doi": "https://doi.org/10.1021/acs.jmedchem.7b01243", - "group": "depth", - "citations":70 - }, - { - "name": "Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking", - "author": [ - "Michael M. Mysinger", - "Michael Carchia", - "John. J. Irwin", - "Brian K. Shoichet" - ], - "year": "June 20, 2012", - "journal": "Journal of Medicinal Chemistry", - "doi": "https://doi.org/10.1021/jm300687e", - "group": "depth", - "citations":400 - }, - { - "name": "Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark", - "author": [ - "Thomas Gaillard" - ], - "year": "July 10, 2018", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/acs.jcim.8b00312", - "group": "depth", - "citations":310 - }, - { - "name": "Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity", - "author": [ - "Nguyen Thanh Nguyen", - "Trung Hai Nguyen", - "T. Ngoc Han Pham", - "Nguyen Truong Huy", - "Mai Van Bay", - "Minh Quan Pham", - "Pham Cam Nam", - "Van V. Vu", - "Son Tung Ngo" - ], - "year": "December 30, 2019", - "journal": "Journal of Chemical Information and Modeling", - "doi": "https://doi.org/10.1021/acs.jcim.9b00778", - "group": "depth", - "citations":170 - }, - { - "name": "Glide:\u2009 A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy", - "author": [ - "Richard A. Friesner", - "Jay L. Banks", - "Robert B. Murphy", - "Thomas A. Halgren", - "Jasna J. Klicic", - "Daniel T. Mainz", - "Matthew P. Repasky", - "Eric H. Knoll", - "Mee Shelley", - "Jason K. Perry", - "David E. Shaw", - "Perry Francis", - "Peter S. Shenkin" - ], - "year": "February 27, 2004", - "journal": "Journal of Medicinal Chemistry", - "doi": "https://doi.org/10.1021/jm0306430", - "group": "depth", - "citations":130 - }, - { - "name": "Surflex:\u2009 Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine", - "author": [ - "Ajay N. 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}, - { - "source": "https://doi.org/10.1021/acs.jctc.0c01006", - "target": "https://doi.org/10.1021/ci500209e" - }, - { - "source": "https://doi.org/10.1021/acs.jctc.0c01006", - "target": "https://doi.org/10.1021/jm2005145" - }, - { - "source": "https://doi.org/10.1021/acs.jcim.8b00312", - "target": "https://doi.org/10.1021/jm2005145" - }, - { - "source": "https://doi.org/10.1021/ci500209e", - "target": "https://doi.org/10.1021/jm2005145" - }, - { - "source": "https://doi.org/10.1021/acs.jcim.9b00778", - "target": "https://doi.org/10.1021/acs.jcim.8b00312" - }, - { - "source": "https://doi.org/10.1021/acs.jctc.0c01006", - "target": "https://doi.org/10.1021/acs.jcim.9b00778" - } - ] -} \ No newline at end of file diff --git a/Output/README.md b/Output/README.md new file mode 100644 index 0000000000000000000000000000000000000000..a1dcced4480e958d15fdc38a2a34e5638c1c9644 --- /dev/null +++ b/Output/README.md @@ -0,0 +1,50 @@ +# Projekt CiS-Projekt 2021/22 + +Citation Network + +## Usage +Input: Json-Datei json\_text.json in directory graph +```json +{ + "nodes": [ + { + "name": <title: string>, + "author": [<author1: string>, <author2: string>, ...], + "year": <date: tring>, + "journal": <journal: string>, + "doi": <doi: string>, + "group": <"input"/"height"/"depth">, + "citations": <citation: int> + }, ... + ], + "links": [ + { + "source": <doi: string>, + "target": <doi: string> + }, ... + ] +} +``` + +Starting a Python-HTTP Server: +```sh + cd <path to file> &&python3 -m http.server <port> +``` + +Opening Server: +[http://0.0.0.0/:\<port\>](http://0.0.0.0/:<port>) + +## Files in directory: + +### index.html +webpage + +### cn.js +javascript code for force-directed graph, text elements and legend + +### json_with_citations.json +example data + +## Authors +- Katja Ehlers +- Merle Stahl \ No newline at end of file diff --git a/Output/ToDo.txt b/Output/ToDo.txt deleted file mode 100644 index e4905e4cc5cdd8dda879fb07f70c4c78f88bc86e..0000000000000000000000000000000000000000 --- a/Output/ToDo.txt +++ /dev/null @@ -1,23 +0,0 @@ -Erledigt: -- Graphstruktur mit Knoten und Kanten (+ Schnittstelle mit Verarbeitung (Json)) -- 3 senkrechte Schichten für Input, Citing und Cited (+ Farben) -- Legende -- Knotengröße nach Zitierungsanzahl -- Markierung der Selbstzitierung -- Zoom- und Schiebefunktionen des gesamten Graphen -- Schiebefunktionen der einzelnen Knoten -- Hervorhebung von Knoten und deren verbundenen Kanten auf Klick (Knoten oder Beschriftung) -- Informationsfenster für Knoten auf Klick (Knoten oder Beschriftung) --> Zurücksetzen auf Klick (Hintergrund) -- Knopf zum Zurücksetzen der verschobenen Knoten -- Knopf zum Zurücksetzen des verschobenen Graphen (Zentrieren) -- Knopf zum Zurücksetzen der Zoom-Funktion -- Zeitstrahl auf x-Achse - -Noch offen: -- Skalierung an unterschiedliche Geräte anpassen -- Schnittstelle zu Benutzeroberfläche (!) - - Suchfunktion - - Informationen zu Funktionen anzeigen - - Zeitstrahl auf x-Achse (optional) -- Speicherfunktion diff --git a/Output/Graph/cn.js b/Output/graph/cn.js similarity index 86% rename from Output/Graph/cn.js rename to Output/graph/cn.js index ae6d12786d87f0c3c7a4095d3f487f5fadd02763..452a8a203670c30a0d37b4e14286dd1aa7410f8f 100644 --- a/Output/Graph/cn.js +++ b/Output/graph/cn.js @@ -14,6 +14,7 @@ height = svg.attr("height"); var textinfo=''; var textabstract=''; var perc; + /** * creates node object and associated attributes */ @@ -106,32 +107,22 @@ legendarrow.append("text") state of the layout has changed (simulation has advanced by a tick) */ var simulation = d3.forceSimulation() - .force("link", d3.forceLink().id(function(d) {return d.doi;}).distance(50).strength(function(d){ - if (d.group == "input") {return 0;} - else {return 5;} - })) - .force("collide", d3.forceCollide(function(d){ - if (d.group == "input") {return 100;} - else {return 65;} - }).strength(0.5)) + .force("link", d3.forceLink().id(function(d) {return d.doi;}).distance(50).strength(function(d) { + if (d.group == "input") {return 0;} + else {return 5;} + })) + .force("collide", d3.forceCollide(function(d) { + if (d.group == "input") {return 100;} + else {return 65;} + }).strength(0.5)) .force("charge", d3.forceManyBody().strength(0.001)) .force("center", d3.forceCenter(width/2, height/2+20)) - //.force("yscale", d3.forceY().strength(150).y(function(d) {return yscale(d.group)})) - .force("yscale", d3.forceY().strength(function(d){ + .force("yscale", d3.forceY().strength(function(d) { if (d.group == "input") {return 1000;} else {return 50;} }).y(function(d) {return yscale(d.group)})) .alpha(0.005) .on("end", zoomTo); -/* -var simulation = d3.forceSimulation() - .force("link", d3.forceLink().id(function(d) {return d.doi;}).distance(200)) - .force("collide", d3.forceCollide(50).strength(0.5)) - .force("charge", d3.forceManyBody()) - .force("center", d3.forceCenter(width/2, height/2+20)) - .force("yscale", d3.forceY().strength(1).y(function(d) {return yscale(d.group)})) - .alpha(0.1) - .on("end", zoomTo,ahaa);*/ /** * creates group element @@ -142,7 +133,7 @@ var g = svg.append("g") /** * loads JSON data and calls the update function */ -d3.json("json_with_citations.json").then(function(graph) { +d3.json("json_text.json").then(function(graph) { update(graph.links, graph.nodes); }) @@ -164,33 +155,7 @@ function update(links, nodes) { link.attr('marker-end', function(d) {return updateMarker("#999", d.target);}) .style("stroke-dasharray",function(d){return self_cit(d.source,d.target)? ("8,8"): ("1,0")}); - } -function ahaa(){ - d3.selectAll(".node").attr("initial_x", function(d) {return d.dx;}) - .attr("initial_y", function(d) {return d.dy;}) - -} - - -function zoomTo() { - node_bounds = d3.selectAll("svg.graph").node().getBBox(); - svg_bounds = d3.select("rect").node().getBBox(); - //console.log(node_bounds, svg_bounds) - - //var diff_x = Math.abs(node_bounds.x)+Math.abs(node_bounds.width); - perc_x = width/(node_bounds.width+100); - - //var diff_y = Math.abs(node_bounds.y)+Math.abs(node_bounds.height); - perc_y = height/(node_bounds.height+100); - - perc = d3.min([perc_x, perc_y]) - //console.log(perc_x, perc) - d3.select('svg') - .call(zoom.scaleBy, perc); -} - - /** * initializes and shows links @@ -219,8 +184,6 @@ function updateNodes(nodes) { .enter() .append("g") .attr("class", "node") - //.attr("abs_x", function(d) {return parseInt(d.attr("cx")) + d[0][0].getCTM().e}) - //.attr("abs_y", function(d) {return parseInt(d.attr("cy")) + d[0][0].getCTM().f}) .call(d3.drag() .on("start", dragstarted) .on("drag", dragged) @@ -334,7 +297,7 @@ function isLinkForNode(node, link){ * outputs node info to textbox * @param {object} node - data of current node */ -function textfunc(node){ +function textfunc(node) { textinfo="Title:" + '</br>' + node.name + '</br>' +'</br>'+"Author:"+ '</br>' +node.author+'</br>'+'</br>'+"Date:"+'</br>' +node.year+'</br>'+'</br>'+"doi:"+'</br>'+'<a href="'+node.doi+ '">'+node.doi @@ -343,26 +306,27 @@ function textfunc(node){ document.getElementById('textbox').innerHTML = textinfo; } -function highlightbutton(btn){ +function highlightbutton(btn) { resetbuttonhighlight(); - document.getElementById(btn).style.background="#cacaca"; + document.getElementById(btn).style.background="#CACACA"; } -function resetbuttonhighlight(){ + +function resetbuttonhighlight() { document.getElementById("overview").style.background=''; document.getElementById("abstract").style.background=''; } function displayabstract(a){ - if(textabstract=='' && textinfo==''){ + if (textabstract=='' && textinfo=='') { document.getElementById('textbox').innerHTML="Click node"; } - else{ - if (a==true){ - document.getElementById('textbox').innerHTML =textabstract; - } - else{ - document.getElementById('textbox').innerHTML =textinfo; - } + else { + if (a==true) { + document.getElementById('textbox').innerHTML =textabstract; + } + else { + document.getElementById('textbox').innerHTML =textinfo; + } } } @@ -409,22 +373,6 @@ function fix_nodes(this_node) { }); } -/** -* resets the positions of the nodes -*/ -function resetGraph() { - - node.each(function(d) { - d.fx = d.initial_x; - d.fy = d.initial_y; - }); - simulation.tick(); - simulation.tick(); - simulation.stop(); - - -} - /** * applies the transformation (zooming or dragging) to the g element */ @@ -439,7 +387,23 @@ d3.selection.prototype.moveToFront = function() { }; /** -* transforms svg so that that the zoom is reset +* transforms svg so that the zoom is adapted to the size of the graph +*/ +function zoomTo() { + node_bounds = d3.selectAll("svg.graph").node().getBBox(); + svg_bounds = d3.select("rect").node().getBBox(); + + perc_x = width/(node_bounds.width+100); + perc_y = height/(node_bounds.height+100); + perc = d3.min([perc_x, perc_y]) + + d3.select('svg') + .call(zoom.scaleBy, perc); +} + + +/** +* transforms svg so that the zoom is reset */ function resetView() { d3.select('svg') diff --git a/Output/Graph/index.html b/Output/graph/index.html similarity index 79% rename from Output/Graph/index.html rename to Output/graph/index.html index 8999fad4fd6861975a6781da124e427d565f0cdd..5785b099a1c6fbb7be9042b775d1c6cca9222055 100644 --- a/Output/Graph/index.html +++ b/Output/graph/index.html @@ -18,20 +18,18 @@ } .button:hover { - background-color: #cacaca; + background-color: #CACACA; } - - button.resetGraph {} - button.resetZoom { margin-left: 110px; } - button.save{ + button.save { margin-left: 220px; } - button.abstract{ + + button.abstract { width:146px; position:absolute; top: 181px; @@ -39,7 +37,8 @@ border-radius:0; border:1px solid #909090; } - button.overview{ + + button.overview { width:147px; position:absolute; display:inline-block; @@ -61,7 +60,7 @@ margin: 0; } - div.textbox{ + div.textbox { width:270px; min-height:200px; max-height:370px; @@ -78,9 +77,6 @@ </head> <body> - <!-- for testing --> - <p id="id"></p> <!--for commenting with document.getElementById("id").innerHTML = "text"; --> - <!-- graph --> <svg class="graph" width="960" height="560"></svg> @@ -89,22 +85,20 @@ <!-- textbox --> <div class="textbox" id = "textbox">Click node</div> - - <!-- reset buttons --> - <button class="resetGraph" onclick="javascript:location.reload();">Reload Graph</button> - <!-- <button class="resetGraph" onclick="resetGraph(),fix_all()">Reset graph</button>--> + <button id="overview" class="overview" onclick='displayabstract(false), highlightbutton("overview")'>Overview</button> + <button id="abstract" class="abstract" onclick='displayabstract(true), highlightbutton("abstract")'>Abstract</button> + + <!-- buttons --> + <button class="reloadGraph" onclick="location.reload()">Reload Graph</button> <button class="resetZoom" onclick="resetView()">Reset View</button> <button class="save" onclick="savesvg()">Save</button> - <button id="overview" class="overview" onclick='displayabstract(false),highlightbutton("overview")'>Overview</button> - <button id="abstract" class="abstract" onclick='displayabstract(true),highlightbutton("abstract")'>Abstract</button> - - + <!-- link D3 (version 5) --> <script src="https://d3js.org/d3.v5.min.js"></script> <script src="https://cdnjs.cloudflare.com/ajax/libs/d3-legend/2.13.0/d3-legend.js"></script> <script src="https://cdn.rawgit.com/eligrey/canvas-toBlob.js/f1a01896135ab378aa5c0118eadd81da55e698d8/canvas-toBlob.js"></script> <script src="https://cdn.rawgit.com/eligrey/FileSaver.js/e9d941381475b5df8b7d7691013401e171014e89/FileSaver.min.js"></script> - <script type="text/javascript" src="cn.js"></script> + <script type="text/javascript" id="cn" src="cn.js"></script> </body> </html> \ No newline at end of file diff --git a/Output/Graph/json_with_citations.json b/Output/graph/json_text.json similarity index 100% rename from Output/Graph/json_with_citations.json rename to Output/graph/json_text.json