Fixing the problem and cleaning the test

aiida/backends/sqlalchemy/models/workflow.py

@@ -88,18 +88,14 @@ def set_script_md5(self, md5):
         self.script_md5 = md5
         self.save()
 
-    #    def add_data(self, dict, d_type):
-    #        for k in dict.keys():
-    #            p, create = self.data.get_or_create(name=k, data_type=d_type)
-    #            p.set_value(dict[k])
-
     def add_data(self, dict, d_type):
         for k in dict.keys():
             p, create = self._get_or_create_data(name=k, data_type=d_type)
             p.set_value(dict[k])
 
     def _get_or_create_data(self, name, data_type):
-        match_data = {name: _ for _ in self.data if _.name == name}
+        match_data = {name: _ for _ in self.data if _.name == name
+                      and _.data_type == data_type}
 
         if not match_data:  # create case
             dbdata = DbWorkflowData(parent_id=self.id, name=name, data_type=data_type)
@@ -250,7 +246,8 @@ def set_value(self, arg):
         try:
             if isinstance(arg, Node) or issubclass(arg.__class__, Node):
                 if arg.pk is None:
-                    raise ValueError("Cannot add an unstored node as an attribute of a Workflow!")
+                    raise ValueError("Cannot add an unstored node as an "
+                                     "attribute of a Workflow!")
                 sess = get_scoped_session()
                 self.aiida_obj = sess.merge(arg.dbnode, load=True)
                 self.value_type = wf_data_value_types.AIIDA

aiida/backends/tests/workflows.py

@@ -242,56 +242,35 @@ def test_failing_calc_in_wf(self):
                 handler.setLevel(original_level)
 
     def test_result_parameter_name_colision(self):
+        """
+        This test checks that the the workflow parameters and results do not
+        collide. This was a problem in SQLA (Issue #960) but a test for both
+        backends is added (for completeness).
+        """
         # Creating a simple workflow & storing it
         wf = WFTestEmpty()
         wf.store()
 
-        params = {u'band_calculation_set': {},
-                  u'band_group_name': u'bands_finished_pw_kpts_dist_0p2_smear_cold_psfam_SSSPv0p7effPBE_volthr_0p01_calc_vc-relax_deg_0p02',
-                  u'band_input': {
-                      u'automatic_parallelization': {u'max_num_machines': 1,
-                                                     u'max_wall_time_seconds': 86400},
-                      u'distance_kpoints_in_dispersion': 0.01},
-                  u'band_parameters_update': {
-                      u'ELECTRONS': {u'conv_thr': 4e-09,
-                                     u'diagonalization': u'cg'}},
-                  u'calculation_set': {},
-                  u'codename': u'pw-5.2.0',
-                  u'group_name': u'pw_finished_pw_kpts_dist_0p2_smear_cold_psfam_SSSPv0p7effPBE_volthr_0p01_calc_vc-relax_deg_0p02',
-                  u'input': {
-                      u'automatic_parallelization': {u'max_num_machines': 1,
-                                                     u'max_wall_time_seconds': 86400,
-                                                     u'target_time_seconds': 28800},
-                      u'clean_workdir': True,
-                      u'distance_kpoints_in_mesh': 0.2,
-                      u'finish_with_scf': False,
-                      u'relaxation_scheme': u'vc-relax',
-                      u'volume_convergence_threshold': 0.01},
-                  u'parameters': {u'ELECTRONS': {u'conv_thr': 8e-11,
-                                                 u'electron_maxstep': 100},
-                                  u'SYSTEM': {u'degauss': 0.02,
-                                              u'ecutrho': 840.0,
-                                              u'ecutwfc': 70.0,
-                                              u'occupations': u'smearing',
-                                              u'smearing': u'cold'}},
-                  u'pseudo_family': u'SSSP_v0.7_eff_PBE'}
-
+        # Set some parameters
         params = {'band_calculation_set': 2,
                   'codename': 'pw-5.2.0',
                   'pseudo_family': 'SSSP_v0.7_eff_PBE'}
         wf.set_params(params)
 
+        # Add some results that their names collide with the parameter names
         wf.add_result('structure', 'test_string_1')
         wf.add_result('codename', 'test_string_2')
 
-        print "wf.get_parameters() ===> ", wf.get_parameters()
-        print "wf.get_results() ===> ", wf.get_results()
-
-        self.assertDictContainsSubset(
+        # Check that we have the correct results
+        self.assertDictEqual(
             {'structure': 'test_string_1', 'codename': 'test_string_2'},
             wf.get_results(), "The workflow results are not the expected "
                               "ones.")
 
+        # Check that we have the correct parameters
+        self.assertDictEqual(params, wf.get_parameters(),
+                             "The workflow parameters are not the expected "
+                             "ones.")
 
     def tearDown(self):
         """