48 lines
1.9 KiB
HTML
48 lines
1.9 KiB
HTML
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{% extends 'base.html' %}
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{% block main %}
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<h1>SMILES Search</h1>
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<p>Get Compound SMILES through PubChem.</p>
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<form action="{{ url_for('pubchem') }}" method="post" enctype="multipart/form-data">
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{% include 'flash_messages.html' %}
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{{ form.csrf_token }}
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<div class="form-row">
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{{ form.query.label }}
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{{ form.query(class="form-control")}}
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</div>
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<!--<div class="form-row">
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{\{ form.modelSelection.label }}
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{\{ form.modelSelection(class="form-control")}}
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</div>-->
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<br>
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<div class="form-row">
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<button type="submit" class="btn btn-primary">Search</button>
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</div>
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</form>
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{% if result %}
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<h3>Search Results</h3>
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{% for x in range(result|length) %}
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<!--<i>{\{result}}</i>-->
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<!--<p>{{result[x]}}</p>-->
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<div class="card mb-3">
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<div class="row no-gutters">
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<div class="col-md-4 text-white bg-dark">
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<div class="card-body">
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<img src="https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/{{result[x]['CID']}}/PNG" class="card-img">
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</div>
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</div>
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<div class="col-md-8">
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<div class="card-body">
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<h5 class="card-title"><b>CID:</b> <a href="https://pubchem.ncbi.nlm.nih.gov/compound/{{result[x]['CID']}}">{{result[x]["CID"]}}</a></h5>
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<p class="card-text"><b>Canonical SMILES: </b>{{result[x]["CanonicalSMILES"]}}</p>
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<p class="card-text"><b>Isomeric SMILES: </b>{{result[x]["IsomericSMILES"]}}</p>
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<p class="card-text"><b>2D Fingerprint </b>{{result[x]["Fingerprint2D"]}}</p>
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</div>
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</div>
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</div>
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</div>
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{% endfor %}
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{% endif %}
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{% endblock %}
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