added chem drawer

4 files changed, 26 insertions, 4 deletions

diff --git a/app/forms.py b/app/forms.py
index 3a06f27..44dadfc 100644
--- a/app/forms.py
+++ b/app/forms.py
@@ -1,6 +1,6 @@
 from flask_wtf import FlaskForm
 from flask_wtf.file import FileField, FileRequired, FileAllowed
-from wtforms import StringField, DecimalField, IntegerField
+from wtforms import StringField, DecimalField, IntegerField, SelectField
 from wtforms.validators import DataRequired, Email
 
 
@@ -35,4 +35,5 @@ class statusForm(FlaskForm):
     jobID = StringField('Job ID',validators=[DataRequired()])
 
 class generateSMILES(FlaskForm):
-    n = IntegerField('Number of Molecules to Generate',default=1,validators=[DataRequired()])
\ No newline at end of file
+    n = IntegerField('Number of Molecules to Generate',default=1,validators=[DataRequired()])
+    #modelSelection = SelectField('Model',choices=[("alpha","Alpha"),("beta","Beta")])
\ No newline at end of file
diff --git a/app/templates/generate.html b/app/templates/generate.html
index f187046..c034bd3 100644
--- a/app/templates/generate.html
+++ b/app/templates/generate.html
@@ -10,6 +10,10 @@
                 {{ form.n.label }}
                 {{ form.n(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">Submit</button>
@@ -17,8 +21,23 @@
     </form>
 
     {% if result %}
-        </b>what the frick</b>
-        <i>{{result}}</i>
+        </b>Generated Compounds</b>
+        <script src="https://unpkg.com/smiles-drawer@1.0.10/dist/smiles-drawer.min.js"></script>
+        <script>
+            let options = {};
+            let smilesDrawer = new SmilesDrawer.Drawer(options);
+        </script>
+        {% for x in range(result|length) %}
+        <!--<i>{\{result}}</i>-->
+        <p>{{result[x]}}</p>
+        <canvas id="canvas-{{x}}" width="500" height="500"></canvas>
+        <script>
+            SmilesDrawer.parse('{{result[0]}}', function(tree) {
+                smilesDrawer.draw(tree, "canvas-{{x}}", "dark", false);
+                console.log(smilesDrawer.draw(tree, "canvas-{{x}}", "light", false))
+              });
+          </script>
+        {% endfor %}
     {% endif %}
 
 {% endblock %}
\ No newline at end of file
diff --git a/app/templates/home.html b/app/templates/home.html
index efe1a36..541c313 100644
--- a/app/templates/home.html
+++ b/app/templates/home.html
@@ -6,6 +6,7 @@
     <ul>
         <li><a href="{{ url_for('dock_upload') }}">Dock and Report</a></li>
         <li><a href="{{ url_for('status')}}">Job Status</a></li>
+        <li><a href="{{ url_for('generate') }}">Generate</a></li>
     </ul>
 
     <img src="{{url_for('static',filename='assets/workingInALaboratory.svg')}}" />
diff --git a/app/views.py b/app/views.py
index 976bd5e..7c005c7 100644
--- a/app/views.py
+++ b/app/views.py
@@ -142,6 +142,7 @@ def generate():
 
     if request.method == 'POST' and form.validate_on_submit():
         result = gen.sample(form.n.data)
+        print(tfWorking)
         if tfWorking == 0:
             flash("Failed to initialise the model!","danger")
         else: