diff --git a/modules/mol/alg/pymod/qsscoring.py b/modules/mol/alg/pymod/qsscoring.py index 935241bc689cd9c92391d6723a3bd168ecacbd91..2d0bac6deffe2d9fe30ab0927e04d90ca55e7ffb 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 4351c0509ddf847e7b22d9108081de5ae3439c63..17735209ed23910d30abf4d565dbb246ffbeb30a 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):