Added printing of number of atoms to test-openmm-platforms.

Fixed version number in setup.py.
choderalab · Jul 6, 2015 · 3a8e11a · 3a8e11a
1 parent 06f5aeb
commit 3a8e11a
Show file tree

Hide file tree

Showing 2 changed files with 6 additions and 3 deletions.
diff --git a/openmmtools/scripts/test_openmm_platforms.py b/openmmtools/scripts/test_openmm_platforms.py
@@ -379,10 +379,13 @@ def main():
             logger.info("Skipping %s due to missing dependency" % class_name)
             continue
 
-        logger.info("%s" % class_name)
-
+        # Create test system instance.
         testsystem = testsystem_class()
         [system, positions] = [testsystem.system, testsystem.positions]
+
+        logger.info("%s (%d atoms)" % (class_name, testsystem.system.getNumParticles()))
+
+        # Compute reference potential and force
         [reference_potential, reference_force] = compute_potential_and_force(system, positions, reference_platform)
 
         # Test all platforms.

diff --git a/setup.py b/setup.py
@@ -14,7 +14,7 @@
 DOCLINES = __doc__.split("\n")
 
 ########################
-VERSION = "0.6.2"
+VERSION = "0.7.1"
 ISRELEASED = False
 __version__ = VERSION
 ########################