From 93ca46446e82f784800f3ce19d49a578d07f446c Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Herv=C3=A9=20=20MENAGER?= <herve.menager@pasteur.fr>
Date: Sun, 8 Apr 2018 16:51:57 +0200
Subject: [PATCH] add LE-LLE biplot to compound card computed dynamically
this is obviously too long to compute. these data should be stored
in the DB.
Former-commit-id: 0bfa4d9cab060401b44021ccf4a487b4a08c1bb9
---
ippisite/ippidb/management/commands/lle_le.py | 10 +++--
ippisite/ippidb/templates/compound_card.html | 40 +++++++++++++++++++
ippisite/ippidb/views.py | 3 +-
3 files changed, 48 insertions(+), 5 deletions(-)
diff --git a/ippisite/ippidb/management/commands/lle_le.py b/ippisite/ippidb/management/commands/lle_le.py
index 9eeec916..8b87716a 100644
--- a/ippisite/ippidb/management/commands/lle_le.py
+++ b/ippisite/ippidb/management/commands/lle_le.py
@@ -11,7 +11,9 @@ class Command(BaseCommand):
def handle(self, *args, **options):
self.stdout.write(self.style.SUCCESS('Generating the LE vs. LLE biplot...'))
- df = Compound.objects.all().to_dataframe()
- df['le']=df[
- print(df.to_csv())
- print(df.columns)
+ for comp in Compound.objects.all():
+ print(comp.id, comp.le, comp.lle)
+ #df = Compound.objects.all().to_dataframe()
+ #df['le']=df[
+ #print(df.to_csv())
+ #print(df.columns)
diff --git a/ippisite/ippidb/templates/compound_card.html b/ippisite/ippidb/templates/compound_card.html
index 30eb12ca..5a1495d0 100644
--- a/ippisite/ippidb/templates/compound_card.html
+++ b/ippisite/ippidb/templates/compound_card.html
@@ -154,6 +154,46 @@
</div>
</div>
<div class="tab-pane fade" id="v-pills-pharmacology" role="tabpanel" aria-labelledby="v-pills-pharmacology-tab">
+ <div class="card col-sm-12 col-md-6">
+ <h5 class="card-header">Efficiencies: iPPI-DB biplot LE versus LLE</h5>
+ <div class="card-body">
+
+ <canvas id="le_lle_biplot"></canvas>
+ <script>
+ var scatterData = {
+ 'datasets': [
+ { label: 'Other PPI families',
+ borderColor: "rgba(211,211,211, 0.8)",
+ backgroundColor: "rgba(211,211,211, 0.8)",
+ data:[
+ {% for c in all_compounds %}
+ {x: {{ c.le }}, y: {{ c.lle }}, id: {{ c.id }} },
+ {% endfor %}
+ ]
+ }
+ ]};
+ var ctx = document.getElementById('le_lle_biplot').getContext('2d');
+ var scatterChart = new Chart(ctx, {
+ type: 'scatter',
+ data: scatterData,
+ options: {
+ scales: {
+ xAxes: [{
+ type: 'linear',
+ position: 'bottom'
+ }]
+ }
+ }
+ });
+ document.getElementById('le_lle_biplot').onclick = function(evt){
+ var activePoints = scatterChart.getElementAtEvent(evt);
+ var selectedIndex = activePoints[0]._index;
+ var id = scatterChart.data.datasets[0].data[selectedIndex].id;
+ window.location = '/compound/'+id;
+ };
+ </script>
+ </div>
+ </div>
</div>
<div class="tab-pane fade" id="v-pills-drugsimilarity" role="tabpanel" aria-labelledby="v-pills-drugsimilarity-tab">
</div>
diff --git a/ippisite/ippidb/views.py b/ippisite/ippidb/views.py
index 923955e7..04b2f150 100644
--- a/ippisite/ippidb/views.py
+++ b/ippisite/ippidb/views.py
@@ -235,6 +235,7 @@ def compound_list(request):
def compound_card(request, compound_id):
try:
compound = Compound.objects.get(id=int(compound_id))
+ all_compounds = Compound.objects.all()
except Compound.DoesNotExist:
raise Http404("No compound data for %s:%s" % (compound_id))
- return render(request, 'compound_card.html', {'compound': compound})
+ return render(request, 'compound_card.html', {'compound': compound, 'all_compounds': all_compounds})
--
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