forked from enviPath/enviPy
[Feature] Show Multi Gen Eval + Batch Prediction (#267)
Co-authored-by: Tim Lorsbach <tim@lorsba.ch> Reviewed-on: enviPath/enviPy#267
This commit is contained in:
@ -0,0 +1,10 @@
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{% if job.is_result_downloadable %}
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<li>
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<a
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class="button"
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onclick="document.getElementById('download_job_result_modal').showModal(); return false;"
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>
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<i class="glyphicon glyphicon-floppy-save"></i> Download Result</a
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>
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</li>
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{% endif %}
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168
templates/batch_predict_pathway.html
Normal file
168
templates/batch_predict_pathway.html
Normal file
@ -0,0 +1,168 @@
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{% extends "framework_modern.html" %}
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{% load static %}
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{% block content %}
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<div class="mx-auto w-full p-8">
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<h1 class="h1 mb-4 text-3xl font-bold">Batch Predict Pathways</h1>
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<form id="smiles-form" method="POST" action="{% url "jobs" %}">
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{% csrf_token %}
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<input type="hidden" name="substrates" id="substrates" />
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<input type="hidden" name="job-name" value="batch-predict" />
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<fieldset class="flex flex-col gap-4 md:flex-3/4">
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<table class="table table-zebra w-full">
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<thead>
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<tr>
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<th>SMILES</th>
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<th>Name</th>
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</tr>
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</thead>
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<tbody id="smiles-table-body">
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<tr>
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<td>
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<label>
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<input
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type="text"
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class="input input-bordered w-full smiles-input"
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placeholder="CN1C=NC2=C1C(=O)N(C(=O)N2C)C"
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{% if meta.debug %}
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value="CN1C=NC2=C1C(=O)N(C(=O)N2C)C"
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{% endif %}
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/>
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</label>
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</td>
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<td>
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<label>
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<input
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type="text"
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class="input input-bordered w-full name-input"
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placeholder="Caffeine"
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{% if meta.debug %}
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value="Caffeine"
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{% endif %}
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/>
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</label>
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</td>
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</tr>
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<tr>
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<td>
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<label>
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<input
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type="text"
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class="input input-bordered w-full smiles-input"
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placeholder="CC(C)CC1=CC=C(C=C1)C(C)C(=O)O"
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{% if meta.debug %}
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value="CC(C)CC1=CC=C(C=C1)C(C)C(=O)O"
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{% endif %}
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/>
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</label>
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</td>
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<td>
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<label>
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<input
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type="text"
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class="input input-bordered w-full name-input"
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placeholder="Ibuprofen"
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{% if meta.debug %}
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value="Ibuprofen"
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{% endif %}
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/>
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</label>
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</td>
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</tr>
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</tbody>
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</table>
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<label class="select mb-2 w-full">
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<span class="label">Predictor</span>
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<select id="prediction-setting" name="prediction-setting">
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<option disabled>Select a Setting</option>
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{% for s in meta.available_settings %}
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<option
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value="{{ s.url }}"
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{% if s.id == meta.user.default_setting.id %}selected{% endif %}
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>
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{{ s.name }}{% if s.id == meta.user.default_setting.id %}
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(User default)
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{% endif %}
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</option>
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{% endfor %}
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</select>
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</label>
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<label class="floating-label" for="num-tps">
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<input
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type="number"
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name="num-tps"
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value="50"
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step="1"
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min="1"
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max="100"
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id="num-tps"
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class="input input-md w-full"
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/>
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<span>Max Transformation Products</span>
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</label>
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<div class="flex justify-end gap-2">
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<button type="button" id="add-row-btn" class="btn btn-outline">
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Add row
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</button>
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<button type="submit" class="btn btn-primary">Submit</button>
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</div>
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</fieldset>
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</form>
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</div>
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<script>
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const tableBody = document.getElementById("smiles-table-body");
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const addRowBtn = document.getElementById("add-row-btn");
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const form = document.getElementById("smiles-form");
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const hiddenField = document.getElementById("substrates");
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addRowBtn.addEventListener("click", () => {
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const row = document.createElement("tr");
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const tdSmiles = document.createElement("td");
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const tdName = document.createElement("td");
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const smilesInput = document.createElement("input");
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smilesInput.type = "text";
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smilesInput.className = "input input-bordered w-full smiles-input";
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smilesInput.placeholder = "SMILES";
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const nameInput = document.createElement("input");
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nameInput.type = "text";
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nameInput.className = "input input-bordered w-full name-input";
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nameInput.placeholder = "Name";
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tdSmiles.appendChild(smilesInput);
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tdName.appendChild(nameInput);
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row.appendChild(tdSmiles);
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row.appendChild(tdName);
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tableBody.appendChild(row);
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});
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// Before submit, gather table data into the hidden field
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form.addEventListener("submit", (e) => {
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const smilesInputs = Array.from(
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document.querySelectorAll(".smiles-input"),
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);
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const nameInputs = Array.from(document.querySelectorAll(".name-input"));
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const lines = [];
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for (let i = 0; i < smilesInputs.length; i++) {
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const smiles = smilesInputs[i].value.trim();
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const name = nameInputs[i]?.value.trim() ?? "";
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// Skip emtpy rows
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if (!smiles && !name) {
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continue;
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}
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lines.push(`${smiles},${name}`);
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}
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// Value looks like:
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// "CN1C=NC2=C1C(=O)N(C(=O)N2C)C,Caffeine\nCC(C)CC1=CC=C(C=C1)C(C)C(=O)O,Ibuprofen"
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hiddenField.value = lines.join("\n");
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});
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</script>
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{% endblock content %}
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@ -210,6 +210,27 @@
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step="0.05"
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/>
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</div>
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<div class="form-control mb-3">
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<label
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class="label"
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for="model-based-prediction-setting-expansion-scheme"
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>
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<span class="label-text">Select Expansion Scheme</span>
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</label>
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<select
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id="model-based-prediction-setting-expansion-scheme"
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name="model-based-prediction-setting-expansion-scheme"
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class="select select-bordered w-full"
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>
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<option value="" disabled selected>
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Select the Expansion Scheme
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</option>
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<option value="BFS">Breadth First Search</option>
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<option value="DFS">Depth First Search</option>
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<option value="GREEDY">Greedy</option>
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</select>
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</div>
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</div>
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<div class="form-control">
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66
templates/modals/objects/download_job_result_modal.html
Normal file
66
templates/modals/objects/download_job_result_modal.html
Normal file
@ -0,0 +1,66 @@
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{% load static %}
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<dialog
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id="download_job_result_modal"
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class="modal"
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x-data="modalForm()"
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@close="reset()"
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>
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<div class="modal-box">
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<!-- Header -->
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<h3 class="font-bold text-lg">Download Job Result</h3>
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<!-- Close button (X) -->
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<form method="dialog">
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<button
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class="btn btn-sm btn-circle btn-ghost absolute right-2 top-2"
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:disabled="isSubmitting"
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>
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✕
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</button>
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</form>
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<!-- Body -->
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<div class="py-4">
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<p>By clicking on Download the Result of this Job will be saved.</p>
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<form
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id="download-job-result-modal-form"
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accept-charset="UTF-8"
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action="{{ job.url }}"
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method="GET"
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>
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<input type="hidden" name="download" value="true" />
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</form>
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</div>
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<!-- Footer -->
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<div class="modal-action">
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<button
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type="button"
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class="btn"
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onclick="this.closest('dialog').close()"
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:disabled="isSubmitting"
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>
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Close
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</button>
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<button
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type="button"
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class="btn btn-primary"
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@click="submit('download-job-result-modal-form'); $el.closest('dialog').close();"
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:disabled="isSubmitting"
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>
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<span x-show="!isSubmitting">Download</span>
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<span
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x-show="isSubmitting"
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class="loading loading-spinner loading-sm"
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></span>
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</button>
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</div>
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</div>
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<!-- Backdrop -->
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<form method="dialog" class="modal-backdrop">
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<button :disabled="isSubmitting">close</button>
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</form>
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</dialog>
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@ -3,7 +3,9 @@
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{% block content %}
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{% block action_modals %}
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{# {% include "modals/objects/refresh_job_log.html" %}#}
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{% if job.is_result_downloadable %}
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{% include "modals/objects/download_job_result_modal.html" %}
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{% endif %}
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{% endblock action_modals %}
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<div class="space-y-2 p-4">
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@ -49,22 +51,20 @@
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<div class="collapse-arrow bg-base-200 collapse">
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<input type="checkbox" checked />
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<div class="collapse-title text-xl font-medium">Description</div>
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<div class="collapse-content">
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Status page for Task {{ job.job_name }}
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</div>
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<div class="collapse-content">Status page for Job {{ job.job_name }}</div>
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</div>
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<!-- Job Status -->
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<div class="collapse-arrow bg-base-200 collapse">
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<input type="checkbox" checked />
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<div class="collapse-title text-xl font-medium">Task Status</div>
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<div class="collapse-title text-xl font-medium">Job Status</div>
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<div class="collapse-content">{{ job.status }}</div>
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</div>
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<!-- Job ID -->
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<div class="collapse-arrow bg-base-200 collapse">
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<input type="checkbox" checked />
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<div class="collapse-title text-xl font-medium">Task ID</div>
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<div class="collapse-title text-xl font-medium">Job ID</div>
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<div class="collapse-content">{{ job.task_id }}</div>
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</div>
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@ -72,7 +72,7 @@
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{% if job.is_in_terminal_state %}
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<div class="collapse-arrow bg-base-200 collapse">
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<input type="checkbox" checked />
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<div class="collapse-title text-xl font-medium">Task Result</div>
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<div class="collapse-title text-xl font-medium">Job Result</div>
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<div class="collapse-content">
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{% if job.job_name == 'engineer_pathways' %}
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<div class="card bg-base-100">
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@ -103,6 +103,68 @@
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</ul>
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</div>
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</div>
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{% elif job.job_name == 'batch_predict' %}
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<div
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id="table-container"
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class="overflow-x-auto overflow-y-auto max-h-96 border rounded-lg"
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></div>
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<script>
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const input = `{{ job.task_result }}`;
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function renderCsvTable(str) {
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const lines = str
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.split("\n")
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.map((l) => l.trim())
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.filter(Boolean);
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const [headerLine, ...rows] = lines;
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const headers = headerLine.split(",").map((h) => h.trim());
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const table = document.createElement("table");
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table.className = "table table-zebra w-full";
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const thead = document.createElement("thead");
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const headerRow = document.createElement("tr");
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headers.forEach((h) => {
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const th = document.createElement("th");
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th.textContent = h;
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headerRow.appendChild(th);
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});
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thead.appendChild(headerRow);
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const tbody = document.createElement("tbody");
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rows.forEach((rowStr) => {
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console.log(rowStr.split(","));
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console.log(headers);
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const row = document.createElement("tr");
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const cells = rowStr.split(",").map((c) => c.trim());
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headers.forEach((_, i) => {
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const td = document.createElement("td");
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const value = cells[i] || "";
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td.textContent = value;
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row.appendChild(td);
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});
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console.log(row);
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tbody.appendChild(row);
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});
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table.appendChild(thead);
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table.appendChild(tbody);
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return table;
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}
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document
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.getElementById("table-container")
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.appendChild(renderCsvTable(input));
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</script>
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{% else %}
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{{ job.parsed_result }}
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{% endif %}
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@ -73,13 +73,29 @@
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</ul>
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</div>
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</div>
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<!-- Reaction Packages -->
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{% endif %}
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<!-- Reaction Packages -->
|
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<div class="collapse-arrow bg-base-200 collapse">
|
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<input type="checkbox" checked />
|
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<div class="collapse-title text-xl font-medium">Reaction Packages</div>
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<div class="collapse-content">
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<ul class="menu bg-base-100 rounded-box w-full">
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{% for p in model.data_packages.all %}
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<li>
|
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<a href="{{ p.url }}" class="hover:bg-base-200">{{ p.name }}</a>
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</li>
|
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{% endfor %}
|
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</ul>
|
||||
</div>
|
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</div>
|
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{% if model.eval_packages.all|length > 0 %}
|
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<!-- Eval Packages -->
|
||||
<div class="collapse-arrow bg-base-200 collapse">
|
||||
<input type="checkbox" checked />
|
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<div class="collapse-title text-xl font-medium">Reaction Packages</div>
|
||||
<div class="collapse-title text-xl font-medium">Eval Packages</div>
|
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<div class="collapse-content">
|
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<ul class="menu bg-base-100 rounded-box w-full">
|
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{% for p in model.data_packages.all %}
|
||||
{% for p in model.eval_packages.all %}
|
||||
<li>
|
||||
<a href="{{ p.url }}" class="hover:bg-base-200">{{ p.name }}</a>
|
||||
</li>
|
||||
@ -87,31 +103,13 @@
|
||||
</ul>
|
||||
</div>
|
||||
</div>
|
||||
{% if model.eval_packages.all|length > 0 %}
|
||||
<!-- Eval Packages -->
|
||||
<div class="collapse-arrow bg-base-200 collapse">
|
||||
<input type="checkbox" checked />
|
||||
<div class="collapse-title text-xl font-medium">Eval Packages</div>
|
||||
<div class="collapse-content">
|
||||
<ul class="menu bg-base-100 rounded-box w-full">
|
||||
{% for p in model.eval_packages.all %}
|
||||
<li>
|
||||
<a href="{{ p.url }}" class="hover:bg-base-200"
|
||||
>{{ p.name }}</a
|
||||
>
|
||||
</li>
|
||||
{% endfor %}
|
||||
</ul>
|
||||
</div>
|
||||
</div>
|
||||
{% endif %}
|
||||
<!-- Model Status -->
|
||||
<div class="collapse-arrow bg-base-200 collapse">
|
||||
<input type="checkbox" checked />
|
||||
<div class="collapse-title text-xl font-medium">Model Status</div>
|
||||
<div class="collapse-content">{{ model.status }}</div>
|
||||
</div>
|
||||
{% endif %}
|
||||
<!-- Model Status -->
|
||||
<div class="collapse-arrow bg-base-200 collapse">
|
||||
<input type="checkbox" checked />
|
||||
<div class="collapse-title text-xl font-medium">Model Status</div>
|
||||
<div class="collapse-content">{{ model.status }}</div>
|
||||
</div>
|
||||
|
||||
{% if model.ready_for_prediction %}
|
||||
<!-- Predict Panel -->
|
||||
@ -174,7 +172,6 @@
|
||||
</div>
|
||||
</div>
|
||||
{% endif %}
|
||||
|
||||
{% if model.model_status == 'FINISHED' %}
|
||||
<!-- Single Gen Curve Panel -->
|
||||
<div class="collapse-arrow bg-base-200 collapse">
|
||||
@ -188,6 +185,19 @@
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
{% if model.multigen_eval %}
|
||||
<div class="collapse-arrow bg-base-200 collapse">
|
||||
<input type="checkbox" checked />
|
||||
<div class="collapse-title text-xl font-medium">
|
||||
Multi Gen Precision Recall Curve
|
||||
</div>
|
||||
<div class="collapse-content">
|
||||
<div class="flex justify-center">
|
||||
<div id="mg-chart"></div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
{% endif %}
|
||||
{% endif %}
|
||||
</div>
|
||||
|
||||
@ -244,6 +254,105 @@
|
||||
}
|
||||
}
|
||||
|
||||
function makeChart(selector, data) {
|
||||
const x = ['Recall'];
|
||||
const y = ['Precision'];
|
||||
const thres = ['threshold'];
|
||||
|
||||
function compare(a, b) {
|
||||
if (a.threshold < b.threshold)
|
||||
return -1;
|
||||
else if (a.threshold > b.threshold)
|
||||
return 1;
|
||||
else
|
||||
return 0;
|
||||
}
|
||||
|
||||
function getIndexForValue(data, val, val_name) {
|
||||
for (const idx in data) {
|
||||
if (data[idx][val_name] == val) {
|
||||
return idx;
|
||||
}
|
||||
}
|
||||
return -1;
|
||||
}
|
||||
|
||||
if (!data || data.length === 0) {
|
||||
console.warn('PR curve data is empty');
|
||||
return;
|
||||
}
|
||||
const dataLength = data.length;
|
||||
data.sort(compare);
|
||||
|
||||
for (const idx in data) {
|
||||
const d = data[idx];
|
||||
x.push(d.recall);
|
||||
y.push(d.precision);
|
||||
thres.push(d.threshold);
|
||||
}
|
||||
const chart = c3.generate({
|
||||
bindto: selector,
|
||||
data: {
|
||||
onclick: function (d, e) {
|
||||
const idx = d.index;
|
||||
const thresh = data[dataLength - idx - 1].threshold;
|
||||
},
|
||||
x: 'Recall',
|
||||
y: 'Precision',
|
||||
columns: [
|
||||
x,
|
||||
y,
|
||||
]
|
||||
},
|
||||
size: {
|
||||
height: 400,
|
||||
width: 480
|
||||
},
|
||||
axis: {
|
||||
x: {
|
||||
max: 1,
|
||||
min: 0,
|
||||
label: 'Recall',
|
||||
padding: 0,
|
||||
tick: {
|
||||
fit: true,
|
||||
values: [0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]
|
||||
}
|
||||
},
|
||||
y: {
|
||||
max: 1,
|
||||
min: 0,
|
||||
label: 'Precision',
|
||||
padding: 0,
|
||||
tick: {
|
||||
fit: true,
|
||||
values: [0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]
|
||||
}
|
||||
}
|
||||
},
|
||||
point: {
|
||||
r: 4
|
||||
},
|
||||
tooltip: {
|
||||
format: {
|
||||
title: function (recall) {
|
||||
const idx = getIndexForValue(data, recall, "recall");
|
||||
if (idx != -1) {
|
||||
return "Threshold: " + data[idx].threshold;
|
||||
}
|
||||
return "";
|
||||
},
|
||||
value: function (precision, ratio, id) {
|
||||
return undefined;
|
||||
}
|
||||
}
|
||||
},
|
||||
zoom: {
|
||||
enabled: true
|
||||
}
|
||||
});
|
||||
}
|
||||
|
||||
function makeLoadingGif(selector, gifPath) {
|
||||
const element = document.querySelector(selector);
|
||||
if (element) {
|
||||
@ -260,107 +369,12 @@
|
||||
}
|
||||
|
||||
{% if model.model_status == 'FINISHED' %}
|
||||
// Precision Recall Curve
|
||||
const sgChart = document.getElementById('sg-chart');
|
||||
if (sgChart) {
|
||||
const x = ['Recall'];
|
||||
const y = ['Precision'];
|
||||
const thres = ['threshold'];
|
||||
|
||||
function compare(a, b) {
|
||||
if (a.threshold < b.threshold)
|
||||
return -1;
|
||||
else if (a.threshold > b.threshold)
|
||||
return 1;
|
||||
else
|
||||
return 0;
|
||||
}
|
||||
|
||||
function getIndexForValue(data, val, val_name) {
|
||||
for (const idx in data) {
|
||||
if (data[idx][val_name] == val) {
|
||||
return idx;
|
||||
}
|
||||
}
|
||||
return -1;
|
||||
}
|
||||
|
||||
var data = {{ model.pr_curve|safe }};
|
||||
if (!data || data.length === 0) {
|
||||
console.warn('PR curve data is empty');
|
||||
return;
|
||||
}
|
||||
const dataLength = data.length;
|
||||
data.sort(compare);
|
||||
|
||||
for (const idx in data) {
|
||||
const d = data[idx];
|
||||
x.push(d.recall);
|
||||
y.push(d.precision);
|
||||
thres.push(d.threshold);
|
||||
}
|
||||
const chart = c3.generate({
|
||||
bindto: '#sg-chart',
|
||||
data: {
|
||||
onclick: function (d, e) {
|
||||
const idx = d.index;
|
||||
const thresh = data[dataLength - idx - 1].threshold;
|
||||
},
|
||||
x: 'Recall',
|
||||
y: 'Precision',
|
||||
columns: [
|
||||
x,
|
||||
y,
|
||||
]
|
||||
},
|
||||
size: {
|
||||
height: 400,
|
||||
width: 480
|
||||
},
|
||||
axis: {
|
||||
x: {
|
||||
max: 1,
|
||||
min: 0,
|
||||
label: 'Recall',
|
||||
padding: 0,
|
||||
tick: {
|
||||
fit: true,
|
||||
values: [0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]
|
||||
}
|
||||
},
|
||||
y: {
|
||||
max: 1,
|
||||
min: 0,
|
||||
label: 'Precision',
|
||||
padding: 0,
|
||||
tick: {
|
||||
fit: true,
|
||||
values: [0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0]
|
||||
}
|
||||
}
|
||||
},
|
||||
point: {
|
||||
r: 4
|
||||
},
|
||||
tooltip: {
|
||||
format: {
|
||||
title: function (recall) {
|
||||
const idx = getIndexForValue(data, recall, "recall");
|
||||
if (idx != -1) {
|
||||
return "Threshold: " + data[idx].threshold;
|
||||
}
|
||||
return "";
|
||||
},
|
||||
value: function (precision, ratio, id) {
|
||||
return undefined;
|
||||
}
|
||||
}
|
||||
},
|
||||
zoom: {
|
||||
enabled: true
|
||||
}
|
||||
});
|
||||
}
|
||||
// Precision Recall Curve
|
||||
makeChart('#sg-chart', {{ model.pr_curve|safe }});
|
||||
{% if model.multigen_eval %}
|
||||
// Multi Gen Precision Recall Curve
|
||||
makeChart('#mg-chart', {{ model.mg_pr_curve|safe }});
|
||||
{% endif %}
|
||||
{% endif %}
|
||||
|
||||
// Predict button handler
|
||||
|
||||
@ -393,7 +393,9 @@
|
||||
<tbody>
|
||||
<tr>
|
||||
<td>Threshold</td>
|
||||
<td>{{ pathway.setting.model_threshold }}</td>
|
||||
<td>
|
||||
{{ pathway.setting_with_overrides.model_threshold }}
|
||||
</td>
|
||||
</tr>
|
||||
</tbody>
|
||||
</table>
|
||||
@ -420,11 +422,15 @@
|
||||
{% endif %}
|
||||
<tr>
|
||||
<td>Max Nodes</td>
|
||||
<td>{{ pathway.setting.max_nodes }}</td>
|
||||
<td>{{ pathway.setting_with_overrides.max_nodes }}</td>
|
||||
</tr>
|
||||
<tr>
|
||||
<td>Max Depth</td>
|
||||
<td>{{ pathway.setting.max_depth }}</td>
|
||||
<td>{{ pathway.setting_with_overrides.max_depth }}</td>
|
||||
</tr>
|
||||
<tr>
|
||||
<td>Expansion Scheme</td>
|
||||
<td>{{ user.default_setting.expansion_scheme }}</td>
|
||||
</tr>
|
||||
</tbody>
|
||||
</table>
|
||||
|
||||
@ -150,6 +150,10 @@
|
||||
<td>Max Depth</td>
|
||||
<td>{{ user.default_setting.max_depth }}</td>
|
||||
</tr>
|
||||
<tr>
|
||||
<td>Expansion Scheme</td>
|
||||
<td>{{ user.default_setting.expansion_scheme }}</td>
|
||||
</tr>
|
||||
</tbody>
|
||||
</table>
|
||||
</div>
|
||||
|
||||
Reference in New Issue
Block a user