Fix comparison test in TestAmberInpcrdFile to compare sequences element by

element.

wrappers/python/tests/TestAmberInpcrdFile.py

@@ -5,41 +5,48 @@ from simtk.openmm import *
 from simtk.unit import *
 import simtk.openmm.app.element as elem
 
+def compareByElement(array1, array2, cmp):
+    for x, y in zip(array1, array2):
+        cmp(x, y)
+
 class TestAmberInpcrdFile(unittest.TestCase):
     """Test the Amber inpcrd file parser"""
  
     def test_CrdVelBox(self):
         """ Test parsing ASCII restarts with crds, vels, and box """
+        cmp = self.assertAlmostEqual
         inpcrd = AmberInpcrdFile('systems/crds_vels_box.rst7')
-        self.assertEqual(len(inpcrd.coordinates), 2101)
-        self.assertAlmostEqual(inpcrd.coordinates[-1].value_in_unit(angstroms),
-                        [3.5958082, 8.4176792, -8.2954064])
-        self.assertAlmostEqual(inpcrd.velocities[-1].value_in_unit(angstroms/picoseconds),
-                        [0.3091332*20.455, 0.7355925*20.455, -0.1206961*20.455])
-        self.assertAlmostEqual(inpcrd.boxVectors[0].value_in_unit(angstroms),
-                        [30.2642725, 0.0, 0.0])
+        self.assertEqual(len(inpcrd.positions), 2101)
+        compareByElement(inpcrd.positions[-1].value_in_unit(angstroms),
+                         [3.5958082, 8.4176792, -8.2954064], cmp)
+        compareByElement(inpcrd.velocities[-1].value_in_unit(angstroms/picoseconds),
+                         [0.3091332*20.455, 0.7355925*20.455, -0.1206961*20.455], cmp)
+        compareByElement(inpcrd.boxVectors[0].value_in_unit(angstroms),
+                         [30.2642725, 0.0, 0.0], cmp)
 
     def test_NetCDF(self):
         """ Test NetCDF restart file parsing """
+        cmp = self.assertAlmostEqual
         try:
             from scipy.io import netcdf
         except ImportError:
             print('Not testing NetCDF file parser... scipy cannot be found')
         else:
             inpcrd = AmberInpcrdFile('systems/amber.ncrst')
-            self.assertEqual(len(inpcrd.coordinates), 2101)
-            self.assertAlmostEqual(inpcrd.coordinates[0].value_in_unit(angstroms),
-                        [6.82122492718229, 6.6276250662042, -8.51668999892245])
-            self.assertAlmostEqual(inpcrd.velocities[-1].value_in_unit(angstroms/picosecond),
-                        [0.349702202733541*20.455, 0.391525333168534*20.455,
-                         0.417941679767662*20.455])
+            self.assertEqual(len(inpcrd.positions), 2101)
+            compareByElement(inpcrd.positions[0].value_in_unit(angstroms),
+                             [6.82122492718229, 6.6276250662042, -8.51668999892245],
+                             cmp)
+            compareByElement(inpcrd.velocities[-1].value_in_unit(angstroms/picosecond),
+                             [0.349702202733541*20.455, 0.391525333168534*20.455,
+                              0.417941679767662*20.455], cmp)
             self.assertAlmostEqual(inpcrd.boxVectors[0][0].value_in_unit(angstroms),
-                                   30.2642725)
+                                   30.2642725, places=6)
 
     def test_CrdBox(self):
         """ Test parsing ASCII restarts with only crds and box """
         inpcrd = AmberInpcrdFile('systems/crds_box.rst7')
-        self.assertEqual(len(inpcrd.coordinates), 18660)
+        self.assertEqual(len(inpcrd.positions), 18660)
         self.assertTrue(inpcrd.velocities is None)
         self.assertTrue(inpcrd.boxVectors is not None)