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tjlauertjlauer
committed
Version 3_1_0
1 parent b8550ea commit 12a3857

7 files changed

+113
-4458
lines changed

‎OLD/hplcsim_OLD.html

-851
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‎OLD/simulator_OLD.js

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‎about.html

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‎hplcsim.html

+18-3
Original file line numberDiff line numberDiff line change
@@ -59,8 +59,8 @@ <h1><br>Multi-Dimensional Separations</h1>
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A site dedicated to multi-dimensional separations with an emphasis on the liquid phase.
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</div>
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62-
<img src="/images/peak.png" alt="peak" class="peak" id="peak" "="" style="left: 28px; z-index: 1; height: 23px; padding-top: 5px; width: 80px; opacity: 1;">
63-
<img src="/images/peak2.png" alt="peak" class="peak" id="peak2" "="" style="z-index: -2; opacity: 1; height: 23px; padding-top: 5px; width: 80px; left: -57px;">
62+
<img src="/images/peak.png" alt="peak" class="peak" id="peak" style="left: 28px; z-index: 1; height: 23px; padding-top: 5px; width: 80px; opacity: 1;">
63+
<img src="/images/peak2.png" alt="peak" class="peak" id="peak2" style="z-index: -2; opacity: 1; height: 23px; padding-top: 5px; width: 80px; left: -57px;">
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<script>
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selected_tab = 5; setPeak(selected_tab);
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menuSelect(selected_tab);
@@ -185,7 +185,7 @@ <h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.3</h3>
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</td>
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<td>
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<input class="export_button" type="button" value="Export Chromatogram" onclick="logExportFileData_Full()">
188-
<h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.3</h3>
188+
<h3 style="width:50px; height:25px; float:right;">Version:<br>3.1.0</h3>
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<input class="export_button" type="button" value="Export Selected Compound" onclick="logExportFileData_Selected()">
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</td>
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</tr>
@@ -583,6 +583,21 @@ <h3 style="width:50px; height:25px; float:right;">Version:<br>3.0.3</h3>
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<td><input id="plot_points_general" class="number" type="number" step="any" onchange="calculatePeaks()" value="6000"></td>
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<td></td>
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</tr>
586+
<tr>
587+
<td>Frequency:</td>
588+
<td id="plot_points_general_detectorFrequency"></td>
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<td></td>
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</tr>
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<tr>
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<td colspan="2">
593+
<input id="renderGraph_dots_check" type="checkbox" name="renderGraph_dots" onchange="calculatePeaks()">Plot points on graph
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</td>
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</tr>
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<!--<tr>
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<td colspan="3">
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<input id="renderGraph_newFunction_check" type="checkbox" name="renderGraph_newFunction" onchange="calculatePeaks()">Use new render function
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</td>
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</tr>-->
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</table>
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</div>
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<!--

‎hplcsim_OLD.html

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‎index.php

+2-2
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@@ -6,14 +6,14 @@
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<head>
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<meta http-equiv="content-type" content="text/html; charset=windows-1252">
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<meta http-equiv="Refresh"
9-
content="1; url=/hplcsim/3_0_3/hplcsim.html" />
9+
content="1; url=/hplcsim/3_1_0/hplcsim.html" />
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</head>
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<body>
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<main>
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<div class="hplc-resources">
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<h1 id="page-title">Redirecting to HPLCSim...</h1>
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<hr>
16-
<h4>If you are not automatically redirected, <a href="/hplcsim/3_0_3/hplcsim.html">Click Here</a></h4>
16+
<h4>If you are not automatically redirected, <a href="/hplcsim/3_1_0/hplcsim.html">Click Here</a></h4>
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</div>
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</main>
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<?php include($_SERVER['DOCUMENT_ROOT'].'/scaffold/footer.php'); ?>

‎simulator.js

+93-11
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@@ -749,7 +749,8 @@ function resetMenus(){
749749
document.getElementById("noise_general").value = 2.0;
750750
document.getElementById("auto_time_check").checked = true;
751751
document.getElementById("initial_time_general").value = 0;
752-
document.getElementById("plot_points_general").value = 3000;
752+
document.getElementById("plot_points_general").value = 6000;
753+
document.getElementById("renderGraph_dots_check").checked = false;
753754

754755
//Column Properties
755756
select_option('Agilent SB-C18', 'stationary_phase');
@@ -763,6 +764,7 @@ function resetMenus(){
763764
document.getElementById("B_column").value = 5.0;
764765
document.getElementById("C_column").value = 0.05;
765766

767+
document.getElementById("dataTable").className = "";
766768

767769
//compoundList
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displayTable();
@@ -989,8 +991,9 @@ function tableID(x,y){
989991
return 10 * (y + 1 ) + x
990992
}
991993

992-
function renderGraph(data) {
994+
function renderGraph(data, renderGraphDots) {
993995
log("Running 'renderGraph(data)'...");
996+
console.log("Running 'renderGraph(data)'...")
994997
var masterlist = [];
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//console.log(data);
996999
for (i = 0; i < data.length; i++) {
@@ -1034,7 +1037,7 @@ function renderGraph(data) {
10341037
new_data[0] = aggregateSignal(data);
10351038

10361039
var domainData = aggregateSignal(data);
1037-
domainData[0].Ct = 0;
1040+
//domainData[0].Ct = 0;
10381041

10391042
createDataExportFile_Full(new_data[0]);
10401043

@@ -1084,8 +1087,12 @@ function renderGraph(data) {
10841087
.text("I say a lot of things");*/
10851088

10861089
for (i = 0; i < new_data.length; i++) {
1090+
//var line = d3.line()
1091+
// .curve(d3.curveBasis)
1092+
// .x(function(d) { return x(d.t); })
1093+
// .y(function(d) { return y(d.Ct); });
1094+
10871095
var line = d3.line()
1088-
.curve(d3.curveBasis)
10891096
.x(function(d) { return x(d.t); })
10901097
.y(function(d) { return y(d.Ct); });
10911098

@@ -1098,6 +1105,57 @@ function renderGraph(data) {
10981105
.attr("stroke-linecap", "round")
10991106
.attr("stroke-width", 1.5)
11001107
.attr("d", line);
1108+
1109+
if(renderGraphDots){
1110+
g.append("g")
1111+
.selectAll("dot")
1112+
.data(new_data[i])
1113+
.enter()
1114+
.append("circle")
1115+
.attr("cx", function(d) { return x(d.t) })
1116+
.attr("cy", function(d) { return y(d.Ct); })
1117+
.attr("r", 1.5)
1118+
.attr("fill", (i == 0 ? "#007aa2" : "#ff0000"));
1119+
}
1120+
}
1121+
}
1122+
1123+
function renderGraph_new(data, renderGraphDots) {
1124+
console.log("Running 'renderGraph_new(data, renderGraphDots)'...")
1125+
var masterlist = [];
1126+
//console.log(data);
1127+
for (i = 0; i < data.length; i++) {
1128+
masterlist = masterlist.concat(data[i]);
1129+
}
1130+
//console.log(masterlist);
1131+
1132+
d3.select("#graph_svg").remove(); //grab the '#graph_svg' tag and remove
1133+
1134+
document.getElementById("graph").innerHTML = "<svg id='graph_svg' width='1400' height='500'></svg>"; //Create a new SVG with a width of 1400 and height of 500
1135+
1136+
var svg = d3.select("#graph_svg"), //grab the '#graph_svg' tag and bind it to the variable svg
1137+
margin = {top: 20, right: 20, bottom: 30, left: 50}, //create a JSON containing the margins
1138+
width = 700 - margin.left - margin.right, //create a variable containing the usable width
1139+
height = 500 - margin.top - margin.bottom, //create a variable containing the usable height
1140+
g = svg.append("g").attr("transform", "translate(" + margin.left + "," + margin.top + ")"); //grab the '#graph_svg' tag, append a 'g' tag, assign attribute 'transform'; move the contents of the grouping
1141+
1142+
var x = d3.scaleLinear()
1143+
.rangeRound([0, width]); //create a variable 'x' to set the scale’s range to the specified two-element array of numbers while also enabling rounding. equivalent to: .range(range).round(true);
1144+
1145+
var y = d3.scaleLinear()
1146+
.rangeRound([height, 0]); //create a variable 'y' to set the scale’s range to the specified two-element array of numbers while also enabling rounding. equivalent to: .range(range).round(true);
1147+
1148+
//var megan = d3.scaleLinear()
1149+
// .rangeRound([height, 0]);
1150+
1151+
// Determines the highest retention time
1152+
tR_max = 0;
1153+
for (i = 0; i < data.length; i++){
1154+
tR = document.getElementById(tableID(4,i)).innerHTML;
1155+
tR = 5;
1156+
if (tR_max < tR){
1157+
tR_max = tR;
1158+
}
11011159
}
11021160
}
11031161

@@ -1169,11 +1227,19 @@ function aggregateSignal(data){
11691227
var signalOffset = parseFloat(document.getElementById("signal_offset_general").value);
11701228
var noise = parseFloat(document.getElementById("noise_general").value);
11711229

1172-
step = .01;
1230+
//step = .01;
1231+
var step = parseFloat(((60)/parseFloat(document.getElementById("plot_points_general").value)).toFixed(3));
1232+
1233+
document.getElementById("plot_points_general_detectorFrequency").innerHTML = (1/((60/document.getElementById("plot_points_general").value)*60)).toFixed(3) + " Hz";
1234+
1235+
1236+
//var timeStart = 0;
1237+
var timeStart = parseFloat((parseFloat(document.getElementById("initial_time_general").value)/(60)).toFixed(3));
11731238
aggregate_signal = [];
11741239

1175-
for (j = 0; j < max_t ; j += step) {
1176-
index = Math.round(j/step);
1240+
var index = 0;
1241+
for (j = timeStart; j < max_t ; j += step) { //j = 0; j < max_t ; j += step
1242+
//index = Math.round(j/step);
11771243
x_targ = j;
11781244
signal = 0;
11791245
for (k = 0; k < data.length; k++){
@@ -1188,6 +1254,8 @@ function aggregateSignal(data){
11881254
"Ct" : signal+signalOffset+noiseValue,
11891255
"c" : "steelblue"
11901256
}
1257+
1258+
index += 1;
11911259
}
11921260

11931261
//aggregate_signal[0].Ct = 0;
@@ -1592,7 +1660,7 @@ function isocraticElutionMode(t0, T, phi, N, tau, Vinj, F, solvent, compoundList
15921660

15931661
var W = parseFloat(((Vinj/1000000)*(M[i])).toFixed(15));
15941662
//W *= 1000000;
1595-
var t = 0; //(parseFloat(document.getElementById("initial_time_general").value))/60;
1663+
var t = (parseFloat(document.getElementById("initial_time_general").value))/60;
15961664
var j = 0;
15971665
var check = true;
15981666
var loops = 0;
@@ -2112,7 +2180,7 @@ function optimize(){
21122180

21132181
//consolidate calculations
21142182
function calculatePeaks() {
2115-
2183+
if(document.getElementById("plot_points_general").value < 100 || document.getElementById("plot_points_general").value == ""){ document.getElementById("plot_points_general").value = 100; }
21162184
//Find Elution Mode
21172185
var mode;
21182186
if (document.getElementById("isocratic_radio").checked) {
@@ -2146,6 +2214,11 @@ function calculatePeaks() {
21462214
if(document.getElementById("flow_rate_chrom").value > 8){ document.getElementById("flow_rate_chrom").value = 8; }
21472215
if(document.getElementById("flow_rate_chrom").value < 0.05){ document.getElementById("flow_rate_chrom").value = 0.05; }
21482216

2217+
if(document.getElementById("length_column").value < 1){ document.getElementById("length_column").value = 1; }
2218+
2219+
if(document.getElementById("inner_diameter_column").value < 1){ document.getElementById("inner_diameter_column").value = 1; }
2220+
2221+
if(document.getElementById("injection_volume_chrom").value < 0.1){ document.getElementById("injection_volume_chrom").value = 0.1; }
21492222
//============================================================================================================================================
21502223
//Collect inputs from the user interface
21512224

@@ -2289,8 +2362,17 @@ function calculatePeaks() {
22892362

22902363
//============================================================================================================================================
22912364
//Render the graph and run final user interface updates
2292-
2293-
renderGraph(data);
2365+
2366+
var renderGraphDots = document.getElementById("renderGraph_dots_check").checked;
2367+
renderGraph(data, renderGraphDots);
2368+
//var useNewRenderGraphFunction = document.getElementById("renderGraph_newFunction_check").checked;
2369+
2370+
/*if(useNewRenderGraphFunction){
2371+
renderGraph_new(data, renderGraphDots);
2372+
} else {
2373+
renderGraph(data, renderGraphDots);
2374+
}*/
2375+
22942376

22952377
document.getElementById('GenRandExpBtn').disabled = false;
22962378

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