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Batch Calculations Frontend : Version 1.0 #33

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Batch Calculations Frontend : Version 1.0 #33

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2 changes: 2 additions & 0 deletions frontend/templates/frontend/base.html
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<a class="navbar-item" href="/projects/"> Projects </a>

<a class="navbar-item" href="/launch/"> Launch </a>
<a class="navbar-item" href="/batch_calculations/"> Batch Calculation </a>

<a class="navbar-item" href="/calculations/">
Calculations {% if request.user.unseen_calculations > 0 %}
<span id="unseen_calculations_badge" class="badge is-bottom is-warning">{{ request.user.unseen_calculations }}</span>
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13 changes: 13 additions & 0 deletions frontend/templates/frontend/batch_calc.html
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{% extends 'frontend/base.html' %} {% load i18n %} {% load static %} {% block extrahead %}
<title>CalcUS - Batch Calculation</title>

<script src="https://code.jquery.com/jquery-3.1.0.min.js"></script>
<script type="text/javascript" src="{% static 'frontend/uis/ChemDoodleWeb-uis.js' %}"></script>
<link rel="stylesheet" href="{% static 'frontend/uis/jquery-ui-1.11.4.css' %}" type="text/css" />


{% include 'frontend/batch_form_head.html' %} {% endblock %} {% block content %} {% csrf_token %}

{% include 'frontend/calc_form_body.html' %}

{% endblock content %}
245 changes: 245 additions & 0 deletions frontend/templates/frontend/batch_form_body.html
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<div class="column" id="parameters_column">
<form method="post" id="calcform" enctype="multipart/form-data">

<div class="field" id ="batch_calculation">
<label class="label">Batch Name</label>
<div class="control">
<input class="input" name="batch_name" id="batch_name" type="text">
</div>
</div>

<br>
<br>

<table border="1" width="100%" id="fileTable">
<tr>
<th>Input files</th>
<th>Charge</th>
<th>Multiplicity</th>
</tr>
</table>

<button id="addRowBtn">Add Row</button>

<br>
<br>

<div class="field" id ="batch_calculation">
<label class="label">Fix Parameters</label>

<div class="columns">
<div class="column is-narrow">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="solvent_checkbox" onchange="handleCheckboxChange(this)">
Solvent
</label>
</div>
</div>
<div class="field">
<div class="control">
<input class="input" name="calc_solvent" id="calc_solvent" type="text" disabled>
</div>
<p class="check_msg is-danger" id="solvent_check_msg"></p>
</div>
</div>

<div class="column is-narrow" id="solvation_fields" style="display: none;">
<div class="field" id="calc_solvation_model">
<label class="label">Solvation Model</label>
<div class="control">
<div class="select">
<select name="calc_solvation_model" onchange="refresh_availabilities();">
<option>GBSA</option>
<option selected>ALPB</option>
<option selected>SMD</option>
<option>PCM</option>
<option>CPCM</option>
</select>
</div>
</div>
</div>
</div>

<div class="column is-narrow" id="solvation_radii_fields" style="display: none;">
<div class="field" id="calc_solvation_radii">
<label class="label">Solvation Radii</label>
<div class="control">
<div class="select">
<select name="calc_solvation_radii">
<option>SMD18</option>
<option selected>Default</option>
<option>UFF</option>
<option>UA0</option>
<option>UAHF</option>
<option>UAKS</option>
<option>Pauling</option>
<option>Bondi</option>
</select>
</div>
</div>
</div>
</div>
</div>

<div class="columns">
<div class="column is-3">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="software_checkbox" onchange="handleSoftwareCheckboxChange(this)">
Software
</label>
</div>
</div>
<div id="software_options" style="display: none;">
<div class="field">
<div class="control">
<div class="select wide_select">
<select name="calc_software" id="calc_software" onchange="refresh_availabilities();" disabled>
<option>xtb</option>
<option>ORCA</option>
<option>Gaussian</option>
</select>
</div>
</div>
</div>
</div>
</div>
</div>

<div class="column is-3">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="driver_checkbox" onchange="handleDriverCheckboxChange(this)">
Driver
</label>
</div>
</div>
<div id="driver_options" style="display: none;">
<div class="field">
<div class="control">
<div class="select wide_select">
<select name="calc_driver" id="calc_driver" onchange="refresh_availabilities();" disabled>
<option value="xtb" selected>xtb</option>
<option value="Gaussian" selected>Gaussian</option>
<option value="ORCA" selected>ORCA</option>
<option value="Pysisyphus">Pysisyphus</option>
</select>
</div>
</div>
</div>
</div>
</div>

<div class="column is-6">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="calc_type_checkbox" onchange="handleCalcTypeCheckboxChange(this)">
Calculation Type
</label>
</div>
</div>
<div id="calc_type_options" style="display: none;">
<div class="field">
<div class="control">
<div class="select wide_select">
<select name="calc_type" id="calc_type" onchange="calc_selection_changed();" disabled>
{% for proc in procs %}
<option {% if proc.short_name == "opt" %}selected{% endif %}>{{ proc.name }}</option>
{% endfor %}
</select>
</div>
</div>
</div>
</div>
</div>

<div class="column" id="calc_xtb_method">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="method_checkbox" onchange="handleMethodCheckboxChange(this)">
Method
</label>
</div>
</div>
<div id="method_options" style="display: none;">
<div class="field">
<div class="control">
<div class="select wide_select">
<select name="calc_xtb_method" disabled>
<option value="gfn2-xtb" selected>GFN2-xTB</option>
<option value="gfn1-xtb">GFN1-xTB</option>
<option value="gfn0-xtb">GFN0-xTB</option>
<option value="gfn-ff">GFN-FF</option>
</select>
</div>
</div>
</div>
</div>
</div>


<div class="column">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="functional_checkbox" onchange="handleFunctionalCheckboxChange(this)">
Functional
</label>
</div>
</div>
<div id="functional_field" style="display: none;">
<div class="field" id="calc_functional_field">

<div class="control">
<input class="input" name="calc_functional" id="calc_functional" type="text" list="functional_options" disabled>
</div>
<p class="check_msg is-danger" id="functional_check_msg"></p>
</div>
</div>
</div>

<div class="column">
<div class="field">
<div class="control">
<label class="checkbox">
<input type="checkbox" id="basis_set_checkbox" onchange="handleBasisSetCheckboxChange(this)">
Basis set
</label>
</div>
</div>
<div id="basis_set_field" style="display: none;">
<div class="field" id="calc_basis_set_field">
<div class="control">
<input class="input" name="calc_basis_set" id="calc_basis_set" type="text" list="basis_sets_options" disabled>
</div>
<p class="check_msg is-danger" id="basis_set_check_msg"></p>
</div>
</div>
</div>

<div class="control">
<a class="button is-primary" id="submit_button">Submit</a>


</div>
</div>














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