From 66bc1df8b72fb3c15c19d9e094e275f9efc559ea Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Herv=C3=A9=20=20MENAGER?= <herve.menager@pasteur.fr>
Date: Mon, 26 Nov 2018 22:24:10 +0100
Subject: [PATCH] correct Drugbank similarity computation settings
Former-commit-id: be2fc631b7f308072897e5de8dc097217fdfdc47
---
ippisite/ippidb/models.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/ippisite/ippidb/models.py b/ippisite/ippidb/models.py
index 4954cb07..36d31063 100644
--- a/ippisite/ippidb/models.py
+++ b/ippisite/ippidb/models.py
@@ -346,7 +346,7 @@ class Compound(AutoFillableModel):
""" compute Tanimoto similarity to existing DrugBank compounds """
self.save()
# fingerprints to compute drugbank similarities are in settings module, default FP2
- fingerprinter = FingerPrinter(settings.get("DRUGBANK_FINGERPRINTS", "FP2"))
+ fingerprinter = FingerPrinter(getattr(settings, "DRUGBANK_FINGERPRINTS", "FP2"))
#1. compute tanimoto for SMILES query vs all compounds
smiles_dict = {c.id:c.canonical_smiles for c in DrugBankCompound.objects.all()}
tanimoto_dict = fingerprinter.tanimoto_smiles(self.canonical_smile, smiles_dict)
--
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