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-rw-r--r--app/forms.py5
-rw-r--r--app/templates/generate.html23
-rw-r--r--app/templates/home.html1
-rw-r--r--app/views.py1
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: