From ca80e1ec429adb65a59fcc8344350bfecfd38899 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 18:58:19 +0200
Subject: [PATCH] add "compound target family" to the LE-LLE plot
Former-commit-id: a8980972bc9fdf6728a1b910230b59734d4311ff
---
ippisite/db.sqlite3.REMOVED.git-id | 2 +-
ippisite/ippidb/management/commands/lle_le.py | 3 +-
ippisite/ippidb/models.py | 10 ++++++
ippisite/ippidb/templates/compound_card.html | 31 ++++++++++++++++---
4 files changed, 40 insertions(+), 6 deletions(-)
diff --git a/ippisite/db.sqlite3.REMOVED.git-id b/ippisite/db.sqlite3.REMOVED.git-id
index 6947594a..5e100e09 100644
--- a/ippisite/db.sqlite3.REMOVED.git-id
+++ b/ippisite/db.sqlite3.REMOVED.git-id
@@ -1 +1 @@
-8e1155c407f37772a3cec105df9f551c3bbe8232
\ No newline at end of file
+484ef6ada16ce17d584108ab14d1ec6467385442
\ No newline at end of file
diff --git a/ippisite/ippidb/management/commands/lle_le.py b/ippisite/ippidb/management/commands/lle_le.py
index 6a0d08c8..2e04f1cf 100644
--- a/ippisite/ippidb/management/commands/lle_le.py
+++ b/ippisite/ippidb/management/commands/lle_le.py
@@ -17,9 +17,10 @@ class Command(BaseCommand):
self.stdout.write(
self.style.SUCCESS('Successfully flushed LE-LLE biplot data table'))
for comp in Compound.objects.all():
+ print(comp.id)
le = round(comp.le, 7)
lle = round(comp.lle, 7)
- le_lle_data.append({'x': le, 'y': lle, 'id': comp.id, 'family':'TBD'})
+ le_lle_data.append({'x': le, 'y': lle, 'id': comp.id, 'family_name': comp.best_activity_ppi_name})
le_lle_json = json.dumps(le_lle_data, separators=(',',':'))
new = LeLleBiplotData()
new.le_lle_biplot_data = le_lle_json
diff --git a/ippisite/ippidb/models.py b/ippisite/ippidb/models.py
index 0cc0f182..787862e2 100644
--- a/ippisite/ippidb/models.py
+++ b/ippisite/ippidb/models.py
@@ -422,6 +422,16 @@ class Compound(models.Model):
"""
return float(self.compoundactivityresult_set.aggregate(Max('activity'))['activity__max'] - self.a_log_p)
+ @property
+ def best_activity_ppi_name(self):
+ """
+ LE: Ligand Efficiency
+ """
+ best_activity = self.compoundactivityresult_set.aggregate(Max('activity'))['activity__max']
+ best_activity_car = self.compoundactivityresult_set.filter(activity=best_activity)[0]
+ ppi_name = best_activity_car.test_activity_description.ppi.name
+ return ppi_name
+
class LeLleBiplotData(models.Model):
le_lle_biplot_data = models.CharField('LE-LLE biplot JSON data', max_length=150000, blank=True, null=True)
diff --git a/ippisite/ippidb/templates/compound_card.html b/ippisite/ippidb/templates/compound_card.html
index 24f97c84..8ba957c4 100644
--- a/ippisite/ippidb/templates/compound_card.html
+++ b/ippisite/ippidb/templates/compound_card.html
@@ -154,18 +154,41 @@
</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">
+ <div class="card col-sm-12 col-md-12">
<h5 class="card-header">Efficiencies: iPPI-DB biplot LE versus LLE</h5>
<div class="card-body">
<canvas id="le_lle_biplot"></canvas>
<script>
+ var allData = {{ biplot_data | safe }};
+ var currentCompoundData = [];
+ var currentFamilyData = [];
+ var otherFamiliesData = [];
+ allData.forEach((item) => {
+ if(item.id == {{ compound.id }}){
+ currentCompoundData.push(item);
+ }else if(item.family_name == '{{ compound.best_activity_ppi_name}}'){
+ currentFamilyData.push(item);
+ }else{
+ otherFamiliesData.push(item)
+ }
+ });
var scatterData = {
'datasets': [
{ label: 'Other PPI families',
- borderColor: "rgba(211,211,211, 0.8)",
- backgroundColor: "rgba(211,211,211, 0.8)",
- data: {{ biplot_data | safe }}
+ borderColor: "rgba(211,211,211, 0.5)",
+ backgroundColor: "rgba(211,211,211, 0.5)",
+ data: otherFamiliesData
+ },
+ { label: '{{ compound.best_activity_ppi_name}} family',
+ borderColor: "rgba(54, 162, 235, 1)",
+ backgroundColor: "rgba(54, 162, 235, 0.5)",
+ data: currentFamilyData
+ },
+ { label: 'Compound',
+ borderColor: "rgba(0, 17, 250, 1)",
+ backgroundColor: "rgba(0, 17, 250, 0.5)",
+ data: currentCompoundData
}
]};
var ctx = document.getElementById('le_lle_biplot').getContext('2d');
--
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