corrected the shape of input arrays for positions and momenta

classical/mptests.py

@@ -14,12 +14,14 @@ class MPLPTest(unittest.TestCase):
 
     ffparams = [{'class': 'FFLennardJones', 'pair': ((0, 1, 2), (3, 4, 5))}]
     symbols = ['0x:z', '1x:z']
-    masses = np.array([1, 1, 1, 1, 1, 1])
+    masses = np.array([1, 1])
 
     def test_qvec_pvec_taylor(self):
         """ test with a pre-calculated reference with only subs numerics """
-        qval = np.array([1, 2, 3, 1, 1, 1])
-        pval = np.array([0, 0, 0, 1, 1, 1])
+        qval = np.array([[1, 2, 3], [1, 1, 1]])
+        pval = np.array([[0, 0, 0], [1, 1, 1]])
+        qval_flat = qval.flatten()
+        pval_flat = pval.flatten()
         numeric = {'tool': 'subs'}
         qref = [[1.0, 2.0, 3.0, 1.0, 1.0, 1.0], [0.0, 0.0, 0.0, 1.0, 1.0, 1.0],
                 [0.0, -0.0377856, -0.0755712, 0.0, 0.0377856, 0.0755712]]
@@ -36,7 +38,7 @@ class MPLPTest(unittest.TestCase):
             kwargs = {} if not var else {'variant': var} 
             mplpobj = mplpcls(3, system, numeric=numeric, recursion='taylor',
                               **kwargs)
-            qvec, pvec = mplpobj.get_val_float(qval, pval)
+            qvec, pvec = mplpobj.get_val_float(qval_flat, pval_flat)
             self.assertTrue(np.allclose(qvec, qref))
             self.assertTrue(np.allclose(pvec, pref))
 
@@ -44,8 +46,10 @@ class MPLPTest(unittest.TestCase):
         """ cross-check all classes with all numerics and variants """
         from newtonian import leja_points_ga
 
-        qval = np.random.rand(6)
-        pval = np.random.rand(6)
+        qval = np.random.rand(2, 3)
+        pval = np.random.rand(2, 3)
+        qval_flat = qval.flatten()
+        pval_flat = pval.flatten()
 
         cases = (
              (MPLPQP, None, {'tool': 'subs'}),
@@ -86,14 +90,14 @@ class MPLPTest(unittest.TestCase):
                 mplpobj = mplpcls(nterms, system, numeric=numeric, **pdict,
                                   **kwargs)
                 if qref and pref:
-                    qvec, pvec = mplpobj.get_val_float(qval, pval)
+                    qvec, pvec = mplpobj.get_val_float(qval_flat, pval_flat)
                     relerr = (np.array(pref)-np.array(pvec))/np.array(pref)
                     msg = (repr(mplpcls.__name__)+repr(variant)+repr(numeric)+
-                           repr(qval)+repr(pval)+repr(relerr))
+                           repr(qval_flat)+repr(pval_flat)+repr(relerr))
                     self.assertTrue(np.allclose(qvec, qref, rtol=0.001), msg)
                     self.assertTrue(np.allclose(pvec, pref, rtol=0.001), msg)
                 else:
-                    qref, pref = mplpobj.get_val_float(qval, pval)
+                    qref, pref = mplpobj.get_val_float(qval_flat, pval_flat)
 
 
 class ChebyshevSymplecticTest(unittest.TestCase):