From d7519b4417d6f36c913fb4454ce0c40d26774b17 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Herv=C3=A9=20=20MENAGER?= <herve.menager@pasteur.fr>
Date: Mon, 22 May 2017 17:02:35 +0200
Subject: [PATCH] remodel MDDR activity classes through a ManyToMany field
fixes #39
---
ippisite/db.sqlite3 | Bin 1536000 -> 1548288 bytes
.../migrations/0018_auto_20170522_1501.py | 41 ++++++++++++++++++
ippisite/ippidb/models.py | 20 ++++-----
3 files changed, 51 insertions(+), 10 deletions(-)
create mode 100644 ippisite/ippidb/migrations/0018_auto_20170522_1501.py
diff --git a/ippisite/db.sqlite3 b/ippisite/db.sqlite3
index 8606d46f594d3b1d168826016966cfb95c9e8726..7ec7dd61212668b2fff2d44382e67427c4c30d13 100644
GIT binary patch
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diff --git a/ippisite/ippidb/migrations/0018_auto_20170522_1501.py b/ippisite/ippidb/migrations/0018_auto_20170522_1501.py
new file mode 100644
index 00000000..2986ba98
--- /dev/null
+++ b/ippisite/ippidb/migrations/0018_auto_20170522_1501.py
@@ -0,0 +1,41 @@
+# -*- coding: utf-8 -*-
+# Generated by Django 1.11.1 on 2017-05-22 15:01
+from __future__ import unicode_literals
+
+from django.db import migrations, models
+
+
+class Migration(migrations.Migration):
+
+ dependencies = [
+ ('ippidb', '0017_auto_20170519_1500'),
+ ]
+
+ operations = [
+ migrations.CreateModel(
+ name='MDDRActivityClass',
+ fields=[
+ ('id', models.AutoField(auto_created=True, primary_key=True, serialize=False, verbose_name='ID')),
+ ('activity_class', models.CharField(max_length=100, unique=True, verbose_name='Activity Class')),
+ ],
+ options={
+ 'verbose_name_plural': 'MDDR activity classes',
+ },
+ ),
+ migrations.AlterUniqueTogether(
+ name='mddrcompoundactivityclass',
+ unique_together=set([]),
+ ),
+ migrations.RemoveField(
+ model_name='mddrcompoundactivityclass',
+ name='mddr_compound',
+ ),
+ migrations.DeleteModel(
+ name='MDDRCompoundActivityClass',
+ ),
+ migrations.AddField(
+ model_name='mddrcompoundimport',
+ name='activity_classes',
+ field=models.ManyToManyField(to='ippidb.MDDRActivityClass'),
+ ),
+ ]
diff --git a/ippisite/ippidb/models.py b/ippisite/ippidb/models.py
index 00dd5ee9..48fb10e3 100644
--- a/ippisite/ippidb/models.py
+++ b/ippisite/ippidb/models.py
@@ -243,6 +243,15 @@ class Compound(models.Model):
mddr_compound = models.ForeignKey('MDDRCompoundImport', blank=True, null=True)
+class MDDRActivityClass(models.Model):
+ activity_class = models.CharField('Activity Class', max_length=100, unique=True)
+
+ class Meta:
+ verbose_name_plural = "MDDR activity classes"
+
+ def __str__(self):
+ return self.activity_class
+
class MDDRCompoundImport(models.Model):
mddr_compound_id = models.IntegerField('MDDR compound ID')
mddr_name = models.CharField('MDDR name', max_length=40)
@@ -250,6 +259,7 @@ class MDDRCompoundImport(models.Model):
canonical_smile = models.CharField('Canonical Smile', max_length=500, unique=True, blank=True, null=True)
#TODO index this table on canonical_smile
db_import_date = models.DecimalField('MDDR release year/month', max_digits=6, decimal_places=0)
+ activity_classes = models.ManyToManyField(MDDRActivityClass)
class Meta:
# over multiple releases of the MDDR database, the same compound can evolve in its development phase
@@ -257,16 +267,6 @@ class MDDRCompoundImport(models.Model):
unique_together = (('mddr_compound_id', 'mddr_name', 'dvpmt_phase'),)
verbose_name_plural = "MDDR compound imports"
-
-class MDDRCompoundActivityClass(models.Model):
- mddr_compound = models.ForeignKey(MDDRCompoundImport)
- activity_class = models.CharField('Activity Class', max_length=100)
-
- class Meta:
- unique_together = (('mddr_compound', 'activity_class'),)
- verbose_name_plural = "MDDR compound activity classes"
-
-
class MDDRSimilarity(models.Model):
canonical_smile_ippidb = models.CharField('Canonical Smile for IPPIDB compound', max_length=500, unique=True, blank=True, null=True)
canonical_smile_mddr = models.CharField('Canonical Smile for MDDR Compound', max_length=500, unique=True, blank=True, null=True)
--
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