Merge pull request #909 from MDAnalysis/issue-883-openmpflag

Added flag at lib.distances.USED_OPENMP

closes #883

package/CHANGELOG

@@ -24,6 +24,8 @@ Enhancements
   with 'quiet=False'
   * The 'run' method from all 'AnalysisBase' derived classes return the
   class itself.
+  * Added boolean flag at lib.distances.USED_OPENMP to reveal if
+    OpenMP was used in compilation (Issue #883)
 
 Fixes
   * GROWriter resids now truncated properly (Issue #886)

package/MDAnalysis/lib/distances.py

@@ -21,6 +21,8 @@
 Fast C-routines to calculate distance arrays from coordinate
 arrays. Many of the functions also exist in parallel versions, that
 typically provide higher performance than the serial code.
+The boolean attribute MDAnalysis.lib.distances.USED_OPENMP can be
+checked to see if OpenMP was used in the compilation of MDAnalysis.
 
 Selection of acceleration ("backend")
 -------------------------------------
@@ -110,6 +112,8 @@ def _run(funcname, args=None, kwargs=None, backend="serial"):
                           ortho_pbc,
                           triclinic_pbc)
 
+from c_distances_openmp import OPENMP_ENABLED as USED_OPENMP
+
 
 def _box_check(box):
     """Take a box input and deduce what type of system it represents based

testsuite/MDAnalysisTests/test_distances.py

@@ -715,3 +715,5 @@ def test_missing_backend_raises_ValueError(self):
                                       backend="not_implemented_stuff")
 
 
+def test_used_openmpflag():
+    assert_(isinstance(MDAnalysis.lib.distances.USED_OPENMP, bool))