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-rw-r--r--app/templates/error.html2
-rw-r--r--app/templates/home.html1
-rw-r--r--app/templates/search-pubchem.html48
3 files changed, 50 insertions, 1 deletions
diff --git a/app/templates/error.html b/app/templates/error.html
index b605430..54656ba 100644
--- a/app/templates/error.html
+++ b/app/templates/error.html
@@ -3,7 +3,7 @@
{% block main %}
<h2>Oh Snap! An error occured</h2>
- <p>Error Code: {{code}}</p>
+ <div class="alert alert-warning" role="alert">Error Code: {{code}}</div>
<p>Error Description: {{description}}</p>
<!--<section>
<style>
diff --git a/app/templates/home.html b/app/templates/home.html
index 10724d7..8386dac 100644
--- a/app/templates/home.html
+++ b/app/templates/home.html
@@ -18,6 +18,7 @@
<h3>Researching</h3>
<ul>
<li><a href="{{ url_for('pubmed') }}">PubMed Search</a> - Handy PubMed search with direct download links</li>
+ <li><a href="{{url_for('pubchem')}}">PubChem Search</a> - Get Compound SMILES</li>
<li>Qrious App - You can enter a question for a set of papers (e.g. ChemRxiv preprints) and it uses AI to answer it for each individual paper based on their abstract</li>
</ul>
diff --git a/app/templates/search-pubchem.html b/app/templates/search-pubchem.html
new file mode 100644
index 0000000..9b8e7cb
--- /dev/null
+++ b/app/templates/search-pubchem.html
@@ -0,0 +1,48 @@
+{% extends 'base.html' %}
+
+{% block main %}
+ <h1>SMILES Search</h1>
+ <p>Get Compound SMILES through PubChem.</p>
+ <form action="{{ url_for('pubchem') }}" method="post" enctype="multipart/form-data">
+ {% include 'flash_messages.html' %}
+ {{ form.csrf_token }}
+ <div class="form-row">
+ {{ form.query.label }}
+ {{ form.query(class="form-control")}}
+ </div>
+ <!--<div class="form-row">
+ {\{ form.modelSelection.label }}
+ {\{ form.modelSelection(class="form-control")}}
+ </div>-->
+ <br>
+ <div class="form-row">
+ <button type="submit" class="btn btn-primary">Search</button>
+ </div>
+ </form>
+
+ {% if result %}
+ <h3>Search Results</h3>
+ {% for x in range(result|length) %}
+ <!--<i>{\{result}}</i>-->
+ <!--<p>{{result[x]}}</p>-->
+ <div class="card mb-3">
+ <div class="row no-gutters">
+ <div class="col-md-4 text-white bg-dark">
+ <div class="card-body">
+ <img src="https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/{{result[x]['CID']}}/PNG" class="card-img">
+ </div>
+ </div>
+ <div class="col-md-8">
+ <div class="card-body">
+ <h5 class="card-title"><b>CID:</b> <a href="https://pubchem.ncbi.nlm.nih.gov/compound/{{result[x]['CID']}}">{{result[x]["CID"]}}</a></h5>
+ <p class="card-text"><b>Canonical SMILES: </b>{{result[x]["CanonicalSMILES"]}}</p>
+ <p class="card-text"><b>Isomeric SMILES: </b>{{result[x]["IsomericSMILES"]}}</p>
+ <p class="card-text"><b>2D Fingerprint </b>{{result[x]["Fingerprint2D"]}}</p>
+ </div>
+ </div>
+ </div>
+ </div>
+ {% endfor %}
+ {% endif %}
+
+{% endblock %} \ No newline at end of file