From ba41cade78c6e0d815c1d6be52e752c2aef32657 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Thu, 13 Jul 2017 15:22:41 +0200
Subject: [PATCH] Clarify use of numpy and scipy in QS scorer.
---
modules/mol/alg/pymod/qsscoring.py | 2 ++
modules/mol/alg/tests/test_qsscoring.py | 8 +++++++-
2 files changed, 9 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/qsscoring.py b/modules/mol/alg/pymod/qsscoring.py
index 935241bc6..2d0bac6de 100644
--- a/modules/mol/alg/pymod/qsscoring.py
+++ b/modules/mol/alg/pymod/qsscoring.py
@@ -10,6 +10,8 @@ Scoring of quaternary structures as in Martino's 2017 paper.
when executing scripts with ``ost``. Otherwise, you must set this with
:func:`~ost.conop.SetDefaultLib`.
- ClustalW must be installed (unless you provide chain mappings)
+ - Python modules `numpy` and `scipy` must be installed and available
+ (e.g. use ``pip install scipy numpy``)
Authors: Gerardo Tauriello, Martino Bertoni
"""
diff --git a/modules/mol/alg/tests/test_qsscoring.py b/modules/mol/alg/tests/test_qsscoring.py
index 4351c0509..17735209e 100644
--- a/modules/mol/alg/tests/test_qsscoring.py
+++ b/modules/mol/alg/tests/test_qsscoring.py
@@ -1,7 +1,13 @@
import unittest, os, sys
import ost
from ost import io, mol, settings
-from ost.mol.alg.qsscoring import *
+# check if we can import: fails if numpy or scipy not available
+try:
+ from ost.mol.alg.qsscoring import *
+except ImportError:
+ print "Failed to import qsscoring. Happens when numpy or scipy missing. " \
+ "Ignoring test_qsscoring.py tests."
+ sys.exit(0)
def _LoadFile(file_name):
--
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