added version check for msms unit test, fixes BZDNG-176

modules/bindings/pymod/msms.py

@@ -38,6 +38,21 @@ class MsmsProcessError(Exception):
     return repr(self.returncode)
 
 
+def GetVersion(msms_exe=None, msms_env=None):
+  msms_executable = _GetExecutable(msms_exe, msms_env)
+  command = "%s" % (msms_executable)
+  proc = subprocess.Popen(command, shell=True, stdout=subprocess.PIPE)
+  stdout_value, stderr_value = proc.communicate()
+
+  version = ""
+  for l in stdout_value.splitlines():
+    if l[0:4]=='MSMS':
+      version = l.split(' ')[1]
+      return version
+  if version=="":
+    LogWarning('Could not parse MSMS version string')
+    return
+
 ## \brief Method to check if MSMS executable is present
 #
 # \param msms_exe Explicit path to msms executable
@@ -120,7 +135,7 @@ def _RunMSMS(command):
   #check for successful completion of msms
   if proc.returncode!=0:
     print "WARNING: msms error\n", stdout_value
-    raise subprocess.MsmsProcessError(proc.returncode, command)
+    raise MsmsProcessError(proc.returncode, command)
 
   return stdout_value
   

modules/bindings/tests/test_msms.py

@@ -33,11 +33,15 @@ class TestMSMSBindings(unittest.TestCase):
 
 if __name__ == "__main__":
   # test if msms package is available on system, otherwise ignore tests
+  VERSION_REQUIRED = '2.6.1'
   try:
     msms._GetExecutable(msms_exe=None, msms_env='MSMSSERVER')
   except(settings.FileNotFound):
     print "Could not find msms executable: ignoring unit tests"
     exit(0)
+  version = msms.GetVersion(msms_exe=None, msms_env='MSMSSERVER')
+  if version!=VERSION_REQUIRED:
+    print "MSMS version (%s) does not match required version %s: ignoring unit tests"%(version, VERSION_REQUIRED)
   try:
     unittest.main()
   except Exception, e: