test block functions

adcc/OneParticleOperator.py

@@ -82,8 +82,7 @@ def size(self):
         """
         Returns the number of elements of the OneParticleOperator
         """
-        sh = self.shape
-        return sh[0] * sh[1]
+        return np.prod(self.shape)
 
     @property
     def blocks_nonzero(self):
@@ -109,8 +108,8 @@ def block(self, block):
         return self._tensors[block]
 
     def __getitem__(self, block):
+        # TODO: sanity checks
         assert block in self.blocks
-        s1, s2 = split_spaces(block)
         if block not in self._tensors:
             sym = libadcc.make_symmetry_operator(
                 self.mospaces, block, self.is_symmetric, "1"
@@ -125,14 +124,15 @@ def set_block(self, block, tensor):
         """
         Assigns tensor to a given block
         """
+        # TODO: sanity checks
         assert block in self.blocks
-        s1, s2 = split_spaces(block)
         self._tensors[block] = tensor
 
     def set_zero_block(self, block):
         """
         Set a given block as zero block
         """
+        # TODO: sanity checks
         assert block in self.blocks
         self._tensors.pop(block)
 

adcc/test_OneParticleOperator.py

@@ -329,7 +329,13 @@ def test_imul(self):
         a *= 12
         assert_array_almost_equal_nulp(a.to_ndarray(), ref)
 
-    def test_is_zero_block(self):
+    def test_block_functions(self):
         ref = cache.refstate["h2o_sto3g"]
         a = OneParticleOperator(ref.mospaces, is_symmetric=True)
+        a["o1o1"].set_random()
+        a["o1v1"].set_random()
+        a["v1v1"].set_random()
+        assert a.size == a.shape[0] * a.shape[1]
         assert not a.is_zero_block("v1o1")
+        a.set_zero_block("o1o1")
+        assert a.is_zero_block("o1o1")