Merge remote-tracking branch 'origin/develop' into fix/xss

# Conflicts:
#	templates/modals/collections/new_model_modal.html
This commit is contained in:
Liam Brydon
2025-11-07 08:34:33 +13:00
44 changed files with 2286 additions and 339 deletions

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@ -19,113 +19,117 @@
prediction. You just need to set a name and the packages
you want the object to be based on. There are multiple types of models available.
For additional information have a look at our
<a target="_blank" href="https://wiki.envipath.org/index.php/relative-reasoning" role="button">wiki &gt;&gt;</a>
<a target="_blank" href="https://wiki.envipath.org/index.php/relative-reasoning" role="button">wiki
&gt;&gt;</a>
</div>
<!-- Name -->
<label for="model-name">Name</label>
<input id="model-name" name="model-name" class="form-control" placeholder="Name"/>
<!-- Description -->
<label for="model-description">Description</label>
<input id="model-description" name="model-description" class="form-control"
placeholder="Description"/>
<!-- Model Type -->
<label for="model-type">Model Type</label>
<select id="model-type" name="model-type" class="form-control" data-width='100%'>
<option disabled selected>Select Model Type</option>
{% for k, v in model_types.items %}
<option value="{{ v }}">{{ k }}</option>
<option value="{{ v }}">{{ k }}</option>
{% endfor %}
</select>
<!-- ML and Rule Based Based Form-->
<div id="package-based-relative-reasoning-specific-form">
<!-- Rule Packages -->
<label for="package-based-relative-reasoning-rule-packages">Rule Packages</label>
<select id="package-based-relative-reasoning-rule-packages" name="package-based-relative-reasoning-rule-packages"
data-actions-box='true' class="form-control" multiple data-width='100%'>
<!-- Rule Packages -->
<div id="rule-packages" class="ep-model-param mlrr rbrr">
<label for="model-rule-packages">Rule Packages</label>
<select id="model-rule-packages" name="model-rule-packages" data-actions-box='true'
class="form-control" multiple data-width='100%'>
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
</select>
<!-- Data Packages -->
<label for="package-based-relative-reasoning-data-packages" >Data Packages</label>
<select id="package-based-relative-reasoning-data-packages" name="package-based-relative-reasoning-data-packages"
data-actions-box='true' class="form-control" multiple data-width='100%'>
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
</select>
<div id="ml-relative-reasoning-specific-form">
<!-- Fingerprinter -->
<label for="ml-relative-reasoning-fingerprinter">Fingerprinter</label>
<select id="ml-relative-reasoning-fingerprinter" name="ml-relative-reasoning-fingerprinter"
class="form-control">
<option value="MACCS" selected>MACCS Fingerprinter</option>
</select>
{% if meta.enabled_features.PLUGINS and additional_descriptors %}
<!-- Property Plugins go here -->
<label for="ml-relative-reasoning-additional-fingerprinter">Additional Fingerprinter /
Descriptors</label>
<select id="ml-relative-reasoning-additional-fingerprinter"
name="ml-relative-reasoning-additional-fingerprinter" class="form-control">
<option disabled selected>Select Additional Fingerprinter / Descriptor</option>
{% for k, v in additional_descriptors.items %}
<option value="{{ v }}">{{ k }}</option>
{% endfor %}
</select>
{% endif %}
<label for="ml-relative-reasoning-threshold">Threshold</label>
<input type="number" min="0" max="1" step="0.05" value="0.5"
id="ml-relative-reasoning-threshold"
name="ml-relative-reasoning-threshold" class="form-control">
</div>
{% if meta.enabled_features.APPLICABILITY_DOMAIN %}
<!-- Build AD? -->
<div class="checkbox">
<label>
<input type="checkbox" id="build-app-domain" name="build-app-domain">Also build an
Applicability Domain?
</label>
</div>
<div id="ad-params" style="display:none">
<!-- Num Neighbors -->
<label for="num-neighbors">Number of Neighbors</label>
<input id="num-neighbors" name="num-neighbors" type="number" class="form-control" value="5"
step="1" min="0" max="10">
<!-- Local Compatibility -->
<label for="local-compatibility-threshold">Local Compatibility Threshold</label>
<input id="local-compatibility-threshold" name="local-compatibility-threshold" type="number"
class="form-control" value="0.5" step="0.01" min="0" max="1">
<!-- Reliability -->
<label for="reliability-threshold">Reliability Threshold</label>
<input id="reliability-threshold" name="reliability-threshold" type="number"
class="form-control" value="0.5" step="0.01" min="0" max="1">
</div>
{% endif %}
</div>
<!-- EnviFormer-->
<div id="enviformer-specific-form">
<label for="enviformer-threshold">Threshold</label>
<input type="number" min="0" max="1" step="0.05" value="0.5" id="enviformer-threshold"
name="enviformer-threshold" class="form-control">
<!-- Data Packages -->
<div id="data-packages" class="ep-model-param mlrr rbrr enviformer">
<label for="model-data-packages">Data Packages</label>
<select id="model-data-packages" name="model-data-packages" data-actions-box='true'
class="form-control" multiple data-width='100%'>
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name|safe }}</option>
{% endif %}
{% endfor %}
</select>
</div>
<!-- Fingerprinter -->
<div id="fingerprinter" class="ep-model-param mlrr">
<label for="model-fingerprinter">Fingerprinter</label>
<select id="model-fingerprinter" name="model-fingerprinter" data-actions-box='true'
class="form-control" multiple data-width='100%'>
<option value="MACCS" selected>MACCS Fingerprinter</option>
{% if meta.enabled_features.PLUGINS and additional_descriptors %}
<option disabled selected>Select Additional Fingerprinter / Descriptor</option>
{% for k, v in additional_descriptors.items %}
<option value="{{ v }}">{{ k }}</option>
{% endfor %}
{% endif %}
</select>
</div>
<!-- Threshold -->
<div id="threshold" class="ep-model-param mlrr enviformer">
<label for="model-threshold">Threshold</label>
<input type="number" min="0" max="1" step="0.05" value="0.5" id="model-threshold"
name="model-threshold" class="form-control">
</div>
<div id="appdomain" class="ep-model-param mlrr">
{% if meta.enabled_features.APPLICABILITY_DOMAIN %}
<!-- Build AD? -->
<div class="checkbox">
<label>
<input type="checkbox" id="build-app-domain" name="build-app-domain">Also build an
Applicability Domain?
</label>
</div>
<div id="ad-params" style="display:none">
<!-- Num Neighbors -->
<label for="num-neighbors">Number of Neighbors</label>
<input id="num-neighbors" name="num-neighbors" type="number" class="form-control"
value="5"
step="1" min="0" max="10">
<!-- Local Compatibility -->
<label for="local-compatibility-threshold">Local Compatibility Threshold</label>
<input id="local-compatibility-threshold" name="local-compatibility-threshold"
type="number"
class="form-control" value="0.5" step="0.01" min="0" max="1">
<!-- Reliability -->
<label for="reliability-threshold">Reliability Threshold</label>
<input id="reliability-threshold" name="reliability-threshold" type="number"
class="form-control" value="0.5" step="0.01" min="0" max="1">
</div>
{% endif %}
</div>
</form>
</div>
@ -138,53 +142,47 @@
</div>
<script>
$(function() {
// Initially hide all "specific" forms
$("div[id$='-specific-form']").each( function() {
$(this).hide();
});
$(function () {
// Built in Model Types
var nativeModelTypes = [
"mlrr",
"rbrr",
"enviformer",
]
$('#model-type').selectpicker();
$("#ml-relative-reasoning-fingerprinter").selectpicker();
$("#package-based-relative-reasoning-rule-packages").selectpicker();
$("#package-based-relative-reasoning-data-packages").selectpicker();
$("#package-based-relative-reasoning-evaluation-packages").selectpicker();
if ($('#ml-relative-reasoning-additional-fingerprinter').length > 0) {
$("#ml-relative-reasoning-additional-fingerprinter").selectpicker();
}
$("#build-app-domain").change(function () {
if ($(this).is(":checked")) {
$('#ad-params').show();
} else {
$('#ad-params').hide();
}
});
// On change hide all and show only selected
$("#model-type").change(function() {
$("div[id$='-specific-form']").each( function() {
// Initially hide all "specific" forms
$(".ep-model-param").each(function () {
$(this).hide();
});
val = $('option:selected', this).val();
if (val === 'ml-relative-reasoning' || val === 'rule-based-relative-reasoning') {
$("#package-based-relative-reasoning-specific-form").show();
if (val === 'ml-relative-reasoning') {
$("#ml-relative-reasoning-specific-form").show();
$('#model-type').selectpicker();
$("#model-fingerprinter").selectpicker();
$("#model-rule-packages").selectpicker();
$("#model-data-packages").selectpicker();
$("#build-app-domain").change(function () {
if ($(this).is(":checked")) {
$('#ad-params').show();
} else {
$('#ad-params').hide();
}
} else {
$("#" + val + "-specific-form").show();
}
});
// On change hide all and show only selected
$("#model-type").change(function () {
$('.ep-model-param').hide();
var modelType = $('#model-type').val();
if (nativeModelTypes.indexOf(modelType) !== -1) {
$('.' + modelType).show();
} else {
// do nothing
}
});
$('#new_model_modal_form_submit').on('click', function (e) {
e.preventDefault();
$('#new_model_form').submit();
});
});
$('#new_model_modal_form_submit').on('click', function(e){
e.preventDefault();
$('#new_model_form').submit();
});
});
</script>

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@ -18,10 +18,10 @@
For evaluation, you need to select the packages you want to use.
While the model is evaluating, you can use the model for predictions.
</div>
<!-- Evaluation -->
<label for="relative-reasoning-evaluation-packages">Evaluation Packages</label>
<select id="relative-reasoning-evaluation-packages" name=relative-reasoning-evaluation-packages"
data-actions-box='true' class="form-control" multiple data-width='100%'>
<!-- Evaluation Packages -->
<label for="model-evaluation-packages">Evaluation Packages</label>
<select id="model-evaluation-packages" name="model-evaluation-packages" data-actions-box='true'
class="form-control" multiple data-width='100%'>
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
@ -36,7 +36,16 @@
{% endif %}
{% endfor %}
</select>
<input type="hidden" name="hidden" value="evaluate">
<!-- Eval Type -->
<label for="model-evaluation-type">Evaluation Type</label>
<select id="model-evaluation-type" name="model-evaluation-type" class="form-control">
<option disabled selected>Select evaluation type</option>
<option value="sg">Single Generation</option>
<option value="mg">Multiple Generations</option>
</select>
<input type="hidden" name="hidden" value="evaluate">
</form>
</div>
<div class="modal-footer">
@ -51,7 +60,7 @@
$(function () {
$("#relative-reasoning-evaluation-packages").selectpicker();
$("#model-evaluation-packages").selectpicker();
$('#evaluate_model_form_submit').on('click', function (e) {
e.preventDefault();

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@ -19,6 +19,7 @@
<select id="scenario-select" name="selected-scenarios" data-actions-box='true' class="form-control"
multiple data-width='100%'>
<option disabled>Select Scenarios</option>
<option value="" hidden></option>
</select>
</form>
</div>
@ -66,7 +67,7 @@
$('#set_scenario_modal_form_submit').on('click', function (e) {
e.preventDefault();
if ($('#scenario-select').val().length == 0) {
$('#scenario-select').val([''])
$('#scenario-select').val("")
}
$('#set_scenario_modal_form').submit();
});

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@ -0,0 +1,54 @@
{% load static %}
<!-- Identify Missing Rules -->
<div id="identify_missing_rules_modal" class="modal" tabindex="-1">
<div class="modal-dialog">
<div class="modal-content">
<div class="modal-header">
<h3 class="modal-title">Identify Missing Rules</h3>
<button type="button" class="close" data-dismiss="modal" aria-label="Close">
<span aria-hidden="true">&times;</span>
</button>
</div>
<div class="modal-body">
By clicking on Download we'll search the Pathway for Reactions that are not backed by
a Rule or which can be assembled by chaining two rules.
<form id="identify-missing-rules-modal-form" accept-charset="UTF-8" action="{{ pathway.url }}"
data-remote="true" method="GET">
<label for="rule-package">Select the Rule Package</label>
<select id="rule-package" name="rule-package" data-actions-box='true' class="form-control"
data-width='100%'>
<option disabled>Reviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name }}</option>
{% endif %}
{% endfor %}
<option disabled>Unreviewed Packages</option>
{% for obj in meta.readable_packages %}
{% if not obj.reviewed %}
<option value="{{ obj.url }}">{{ obj.name }}</option>
{% endif %}
{% endfor %}
</select>
<input type="hidden" name="identify-missing-rules" value="true"/>
</form>
</div>
<div class="modal-footer">
<button type="button" class="btn btn-secondary" data-dismiss="modal">Close</button>
<button type="button" class="btn btn-primary" id="identify-missing-rules-modal-submit">Download</button>
</div>
</div>
</div>
</div>
<script>
$(function () {
$('#identify-missing-rules-modal-submit').click(function (e) {
e.preventDefault();
$('#identify-missing-rules-modal-form').submit();
$('#identify_missing_rules_modal').modal('hide');
});
})
</script>