[coor/datasource] in case input files have different dimensions, give…

… a useful msg. (markovmodel#822)
gph82 · Jun 7, 2016 · ecd07bc · ecd07bc
1 parent f766d3e
commit ecd07bc
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Showing 2 changed files with 25 additions and 3 deletions.
diff --git a/pyemma/coordinates/data/_base/datasource.py b/pyemma/coordinates/data/_base/datasource.py
@@ -123,8 +123,19 @@ def filenames(self, filename_list):
 
             # ensure all trajs have same dim
             if not np.unique(ndims).size == 1:
-                raise ValueError("input data has different dimensions!"
-                                 " Dimensions are = %s" % zip(filename_list, ndims))
+                # group files by their dimensions to give user indicator
+                ndims = np.array(ndims)
+                filename_list = np.asarray(filename_list)
+                sort_inds = np.argsort(ndims)
+                import itertools, operator
+                res = {}
+                for dim, files in itertools.groupby(zip(ndims[sort_inds], filename_list[sort_inds]),
+                                                    operator.itemgetter(0)):
+                    res[dim] = list(f[1] for f in files)
+
+                raise ValueError("Input data has different dimensions ({dims})!"
+                                 " Files grouped by dimensions: {groups}".format(dims=res.keys(),
+                                                                                  groups=res))
 
             self._ndim = ndims[0]
             self._lengths = lengths

diff --git a/pyemma/coordinates/tests/test_numpyfilereader.py b/pyemma/coordinates/tests/test_numpyfilereader.py
@@ -197,7 +197,18 @@ def test_usecols(self):
         with it:
             for x in it:
                 np.testing.assert_equal(x, self.d2[:, cols])
-
+
+    def test_different_shapes_value_error(self):
+        with tempfile.NamedTemporaryFile(delete=False, suffix='.npy') as f:
+            x=np.zeros((3, 42))
+            np.save(f.name, x)
+            myfiles = self.files2d[:]
+            myfiles.insert(1, f.name)
+
+            with self.assertRaises(ValueError) as cm:
+                NumPyFileReader(myfiles)
+            self.assertIn("different dimensions", cm.exception.args[0])
+            print (cm.exception.args)
 
 
 if __name__ == "__main__":