forked from enviPath/enviPy
522 lines
26 KiB
HTML
522 lines
26 KiB
HTML
{% extends "framework.html" %}
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{% load static %}
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{% load envipytags %}
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{% block content %}
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{% block action_modals %}
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{% include "modals/objects/delete_model_modal.html" %}
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{% endblock action_modals %}
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<!-- Include required libs -->
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<script src="https://d3js.org/d3.v5.min.js"></script>
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<script src="https://cdn.jsdelivr.net/npm/c3@0.7.20/c3.min.js"></script>
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<link href="https://cdn.jsdelivr.net/npm/c3@0.7.20/c3.min.css" rel="stylesheet">
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<div class="panel-group" id="model-detail">
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<div class="panel panel-default">
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<div class="panel-heading" id="headingPanel" style="font-size:2rem;height: 46px">
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{{ model.name }}
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<div id="actionsButton"
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style="float: right;font-weight: normal;font-size: medium;position: relative; top: 50%; transform: translateY(-50%);z-index:100;display: none;"
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class="dropdown"><a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button"
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aria-haspopup="true" aria-expanded="false"><span
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class="glyphicon glyphicon-wrench"></span> Actions <span class="caret"></span><span
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style="padding-right:1em"></span></a>
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<ul id="actionsList" class="dropdown-menu">
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{% block actions %}
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{% include "actions/objects/model.html" %}
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{% endblock %}
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</ul>
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</div>
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</div>
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<div class="panel-body">
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<p> {{ model.description }} </p>
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</div>
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{% if model|classname == 'MLRelativeReasoning' %}
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<!-- Rule Packages -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="rule-package-link" data-toggle="collapse" data-parent="#model-detail"
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href="#rule-package">Rule Packages</a>
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</h4>
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</div>
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<div id="rule-package" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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{% for p in model.rule_packages.all %}
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<a class="list-group-item" href="{{ p.url }}">{{ p.name }}</a>
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{% endfor %}
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</div>
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</div>
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<!-- Reaction Packages -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="reaction-package-link" data-toggle="collapse" data-parent="#model-detail"
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href="#reaction-package">Rule Packages</a>
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</h4>
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</div>
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<div id="reaction-package" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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{% for p in model.data_packages.all %}
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<a class="list-group-item" href="{{ p.url }}">{{ p.name }}</a>
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{% endfor %}
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</div>
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</div>
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{% if model.eval_packages.all|length > 0 %}
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<!-- Eval Packages -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="eval-package-link" data-toggle="collapse" data-parent="#model-detail"
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href="#eval-package">Rule Packages</a>
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</h4>
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</div>
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<div id="eval-package" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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{% for p in model.eval_packages.all %}
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<a class="list-group-item" href="{{ p.url }}">{{ p.name }}</a>
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{% endfor %}
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</div>
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</div>
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{% endif %}
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<!-- Model Status -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="model-status-link" data-toggle="collapse" data-parent="#model-detail"
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href="#model-status">Model Status</a>
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</h4>
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</div>
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<div id="model-status" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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{{ model.status }}
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</div>
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</div>
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{% endif %}
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{% if model.ready_for_prediction %}
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<!-- Predict Panel -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="predict-smiles-link" data-toggle="collapse" data-parent="#model-detail"
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href="#predict-smiles">Predict</a>
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</h4>
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</div>
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<div id="predict-smiles" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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<div class="input-group">
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<input id="smiles-to-predict" type="text" class="form-control"
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placeholder="CCN(CC)C(=O)C1=CC(=CC=C1)C">
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<span class="input-group-btn">
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<button class="btn btn-default" type="submit" id="predict-button">Predict!</button>
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</span>
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</div>
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<div id="predictLoading"></div>
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<div id="predictResultTable"></div>
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</div>
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</div>
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<!-- End Predict Panel -->
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{% endif %}
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{% if model.app_domain %}
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<!-- App Domain -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="app-domain-assessment-link" data-toggle="collapse" data-parent="#model-detail"
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href="#app-domain-assessment">Applicability Domain Assessment</a>
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</h4>
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</div>
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<div id="app-domain-assessment" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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<div class="input-group">
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<input id="smiles-to-assess" type="text" class="form-control" placeholder="CCN(CC)C(=O)C1=CC(=CC=C1)C">
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<span class="input-group-btn">
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<button class="btn btn-default" type="submit" id="assess-button">Assess!</button>
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</span>
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</div>
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<div id="appDomainLoading"></div>
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<div id="appDomainAssessmentResultTable"></div>
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</div>
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</div>
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<!-- End App Domain -->
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{% endif %}
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{% if model.model_status == 'FINISHED' %}
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<!-- Single Gen Curve Panel -->
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="sg-curve-link" data-toggle="collapse" data-parent="#model-detail"
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href="#sg-curve">Precision Recall Curve</a>
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</h4>
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</div>
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<div id="sg-curve" class="panel-collapse collapse in">
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<div class="panel-body list-group-item">
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<!-- Center container contents -->
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<div class="container" style="display: flex;justify-content: center;">
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<div id="sg-curve-plotdiv" class="chart">
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<div id="sg-chart"></div>
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</div>
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</div>
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</div>
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</div>
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<script>
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$(function () {
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if (!($('#sg-chart').length > 0)) {
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return;
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}
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var x = ['Recall'];
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var y = ['Precision'];
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var thres = ['threshold'];
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// Compare function for the given array
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function compare(a, b) {
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if (a.threshold < b.threshold)
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return -1;
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else if (a.threshold > b.threshold)
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return 1;
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else
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return 0;
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}
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function getIndexForValue(data, val, val_name) {
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for (var idx in data) {
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if (data[idx][val_name] == val) {
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return idx;
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}
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}
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return -1;
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}
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var data = {{ model.pr_curve|safe }}
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var dataLength = Object.keys(data).length;
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data.sort(compare);
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for (var idx in data) {
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var d = data[idx];
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x.push(d.recall);
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y.push(d.precision);
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thres.push(d.threshold);
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}
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var chart = c3.generate({
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bindto: '#sg-chart',
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data: {
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onclick: function (d, e) {
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var idx = d.index;
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var thresh = data[dataLength - idx - 1].threshold;
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//onclick(thresh)
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},
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x: 'Recall',
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y: 'Precision',
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columns: [
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x,
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y,
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//thres
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]
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},
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size: {
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height: 400, // TODO: Make variable to current modal width
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width: 480
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},
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axis: {
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x: {
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max: 1,
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min: 0,
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label: 'Recall',
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padding: 0,
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tick: {
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fit: true,
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values: [0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]
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}
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},
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y: {
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max: 1,
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min: 0,
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label: 'Precision',
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padding: 0,
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tick: {
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fit: true,
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values: [0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]
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}
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}
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},
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point: {
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r: 4
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},
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tooltip: {
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format: {
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title: function (recall) {
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idx = getIndexForValue(data, recall, "recall");
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if (idx != -1) {
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return "Threshold: " + data[idx].threshold;
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}
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return "";
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},
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value: function (precision, ratio, id) {
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return undefined;
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}
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}
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},
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zoom: {
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enabled: true
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}
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});
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});
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</script>
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<!-- End Single Gen Curve Panel -->
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{% endif %}
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</div>
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</div>
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<script>
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function handleAssessmentResponse(data) {
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var inside_app_domain = "<a class='list-group-item'>This compound is " + (data["assessment"]["inside_app_domain"] ? "inside" : "outside") + " the Applicability Domain derived from the chemical (PCA) space constructed using the training data." + "</a>";
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var functionalGroupsImgSrc = "<img width='400' src='{% url 'depict' %}?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "'>";
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var reactivityCentersImgSrc = "<img width='400' src='{% url 'depict' %}?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "'>";
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tpl = `<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="app-domain-assessment-functional-groups-link" data-toggle="collapse" data-parent="#app-domain-assessment" href="#app-domain-assessment-functional-groups">Functional Groups Covered by Model</a>
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</h4>
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</div>
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<div id="app-domain-assessment-functional-groups" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${inside_app_domain}
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<p></p>
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<div id="image-div" align="center">
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${functionalGroupsImgSrc}
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</div>
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</div>
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</div>
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="app-domain-assessment-reactivity-centers-link" data-toggle="collapse" data-parent="#app-domain-assessment" href="#app-domain-assessment-reactivity-centers">Reactivity Centers</a>
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</h4>
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</div>
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<div id="app-domain-assessment-reactivity-centers" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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<div id="image-div" align="center">
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${reactivityCentersImgSrc}
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</div>
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</div>
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</div>`
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var transformations = '';
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for (t in data['assessment']['transformations']) {
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transObj = data['assessment']['transformations'][t];
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var neighbors = '';
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for (n in transObj['neighbors']) {
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neighObj = transObj['neighbors'][n];
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var neighImg = "<img width='100%' src='" + transObj['rule']['url'] + "?smiles=" + encodeURIComponent(neighObj['smiles']) + "'>";
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var objLink = `<a class='list-group-item' href="${neighObj['url']}">${neighObj['name']}</a>`
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var neighPredProb = "<a class='list-group-item'>Predicted probability: " + neighObj['probability'].toFixed(2) + "</a>";
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var pwLinks = '';
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for (pw in neighObj['related_pathways']) {
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var pwObj = neighObj['related_pathways'][pw];
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pwLinks += "<a class='list-group-item' href=" + pwObj['url'] + ">" + pwObj['name'] + "</a>";
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}
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var expPathways = `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${t}-neighbor-${n}-exp-pathway-link" data-toggle="collapse" data-parent="#transformation-${t}-neighbor-${n}" href="#transformation-${t}-neighbor-${n}-exp-pathway">Experimental Pathways</a>
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</h4>
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</div>
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<div id="transformation-${t}-neighbor-${n}-exp-pathway" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${pwLinks}
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</div>
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</div>
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`
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if (pwLinks === '') {
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expPathways = ''
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}
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neighbors += `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${t}-neighbor-${n}-link" data-toggle="collapse" data-parent="#transformation-${t}" href="#transformation-${t}-neighbor-${n}">Analog Transformation on ${neighObj['name']}</a>
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</h4>
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</div>
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<div id="transformation-${t}-neighbor-${n}" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${objLink}
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${neighPredProb}
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${expPathways}
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<p></p>
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<div id="image-div" align="center">
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${neighImg}
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</div>
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</div>
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</div>
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`
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}
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var panelName = null;
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var objLink = null;
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if (transObj['is_predicted']) {
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panelName = `Predicted Transformation by ${transObj['rule']['name']}`;
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objLink = `<a class='list-group-item' href="${transObj['edge']['url']}">${transObj['edge']['name']}</a>`
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} else {
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panelName = `Potential Transformation by applying ${transObj['rule']['name']}`;
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objLink = `<a class='list-group-item' href="${transObj['rule']['url']}">${transObj['rule']['name']}</a>`
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}
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var predProb = "<a class='list-group-item'>Predicted probability: " + transObj['probability'].toFixed(2) + "</a>";
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var timesTriggered = "<a class='list-group-item'>This rule has triggered " + transObj['times_triggered'] + " times in the training set</a>";
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var reliability = "<a class='list-group-item'>Reliability: " + transObj['reliability'].toFixed(2) + " (" + (transObj['reliability'] > data['ad_params']['reliability_threshold'] ? ">" : "<") + " Reliability Threshold of " + data['ad_params']['reliability_threshold'] + ") </a>";
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var localCompatibility = "<a class='list-group-item'>Local Compatibility: " + transObj['local_compatibility'].toFixed(2) + " (" + (transObj['local_compatibility'] > data['ad_params']['local_compatibilty_threshold'] ? ">" : "<") + " Local Compatibility Threshold of " + data['ad_params']['local_compatibilty_threshold'] + ")</a>";
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var transImg = "<img width='100%' src='" + transObj['rule']['url'] + "?smiles=" + encodeURIComponent(data['assessment']['smiles']) + "'>";
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var transformation = `
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<div class="panel panel-default panel-heading list-group-item" style="background-color:silver">
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<h4 class="panel-title">
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<a id="transformation-${t}-link" data-toggle="collapse" data-parent="#transformation-${t}" href="#transformation-${t}">${panelName}</a>
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</h4>
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</div>
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<div id="transformation-${t}" class="panel-collapse collapse">
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<div class="panel-body list-group-item">
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${objLink}
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${predProb}
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${timesTriggered}
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${reliability}
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${localCompatibility}
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<p></p>
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<div id="image-div" align="center">
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${transImg}
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</div>
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<p></p>
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${neighbors}
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</div>
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</div>
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`
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transformations += transformation;
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}
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res = tpl + transformations;
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$("#appDomainAssessmentResultTable").append(res);
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}
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function handlePredictionResponse(data) {
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res = "<table class='table table-striped'>"
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res += "<thead>"
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res += "<th scope='col'>#</th>"
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columns = ['products', 'image', 'probability', 'btrule']
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for (col in columns) {
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res += "<th scope='col'>" + columns[col] + "</th>"
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}
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res += "</thead>"
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res += "<tbody>"
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var cnt = 1;
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for (transformation in data) {
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res += "<tr>"
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res += "<th scope='row'>" + cnt + "</th>"
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res += "<th scope='row'>" + data[transformation]['products'][0].join(', ') + "</th>"
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res += "<th scope='row'>" + "<img width='400' src='{% url 'depict' %}?smiles=" + encodeURIComponent(data[transformation]['products'][0].join('.')) + "'></th>"
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res += "<th scope='row'>" + data[transformation]['probability'].toFixed(3) + "</th>"
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if (data[transformation]['btrule'] != null) {
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res += "<th scope='row'>" + "<a href='" + data[transformation]['btrule']['url'] + "'>" + data[transformation]['btrule']['name'] + "</a>" + "</th>"
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} else {
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res += "<th scope='row'>N/A</th>"
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}
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res += "</tr>"
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cnt += 1;
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}
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res += "</tbody>"
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res += "</table>"
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$("#predictResultTable").append(res);
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}
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function clear(divid) {
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$("#" + divid).removeClass("alert alert-danger");
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$("#" + divid).empty();
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}
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if ($('#predict-button').length > 0) {
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$("#predict-button").on("click", function (e) {
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e.preventDefault();
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data = {
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"smiles": $("#smiles-to-predict").val(),
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"classify": "ILikeCats!"
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}
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clear("predictResultTable");
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makeLoadingGif("#predictLoading", "{% static '/images/wait.gif' %}");
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$.ajax({
|
|
type: 'get',
|
|
data: data,
|
|
url: '',
|
|
success: function (data, textStatus) {
|
|
try {
|
|
$("#predictLoading").empty();
|
|
handlePredictionResponse(data);
|
|
} catch (error) {
|
|
console.log("Error");
|
|
$("#predictLoading").empty();
|
|
$("#predictResultTable").addClass("alert alert-danger");
|
|
$("#predictResultTable").append("Error while processing request :/");
|
|
}
|
|
},
|
|
error: function (jqXHR, textStatus, errorThrown) {
|
|
$("#predictLoading").empty();
|
|
$("#predictResultTable").addClass("alert alert-danger");
|
|
$("#predictResultTable").append("Error while processing request :/");
|
|
}
|
|
});
|
|
});
|
|
}
|
|
|
|
if ($('#assess-button').length > 0) {
|
|
$("#assess-button").on("click", function (e) {
|
|
e.preventDefault();
|
|
|
|
data = {
|
|
"smiles": $("#smiles-to-assess").val(),
|
|
"app-domain-assessment": "ILikeCats!"
|
|
}
|
|
|
|
clear("appDomainAssessmentResultTable");
|
|
|
|
makeLoadingGif("#appDomainLoading", "{% static '/images/wait.gif' %}");
|
|
$.ajax({
|
|
type: 'get',
|
|
data: data,
|
|
url: '',
|
|
success: function (data, textStatus) {
|
|
try {
|
|
$("#appDomainLoading").empty();
|
|
handleAssessmentResponse(data);
|
|
console.log(data);
|
|
} catch (error) {
|
|
console.log("Error");
|
|
$("#appDomainLoading").empty();
|
|
$("#appDomainAssessmentResultTable").addClass("alert alert-danger");
|
|
$("#appDomainAssessmentResultTable").append("Error while processing request :/");
|
|
}
|
|
},
|
|
error: function (jqXHR, textStatus, errorThrown) {
|
|
$("#appDomainLoading").empty();
|
|
$("#appDomainAssessmentResultTable").addClass("alert alert-danger");
|
|
$("#appDomainAssessmentResultTable").append("Error while processing request :/");
|
|
}
|
|
});
|
|
});
|
|
}
|
|
|
|
</script>
|
|
|
|
{% endblock content %}
|