Fix testing

Added Alvin comments

simulationworkflowschema/general.py

@@ -385,40 +385,19 @@ def normalize(self, archive, logger):
             return
 
         # We extract the workflow name from the tasks names
-        workflow_name = []
-        for task in self.tasks:
-            workflow_name.append(task.name)
-        self.name = "+".join(workflow_name)
-        if self.name != self.m_def.name.replace("Plus", "+"):
-            logger.warning(
-                "Joining tasks names does not match workflow name from class definition."
-            )
-
+        self.name = "+".join([task.name for task in self.tasks if task.name])
+        task_map = {
+            task.name.lower(): self.tasks[n] for n, task in enumerate(self.tasks)
+        }
         # Resolve workflow2.results for each standard BeyondDFT workflow
         if self.name == "DFT+GW":
-            task_map = {
-                "dft": self.tasks[0],
-                "gw": self.tasks[1],
-            }
             self.get_electronic_structure_workflow_results(task_map)
-        elif self.name == "DFT+TB+DMFT":
-            # TODO extend for DFT tasks
-            task_map = {
-                "tb": self.tasks[0],
-                "dmft": self.tasks[1],
-            }
+        elif self.name == "TB+DMFT":  # TODO extend for DFT tasks
             self.get_electronic_structure_workflow_results(task_map)
         elif self.name == "DMFT+MaxEnt":
-            task_map = {
-                "dmft": self.tasks[0],
-                "maxent": self.tasks[1],
-            }
             self.get_electronic_structure_workflow_results(task_map)
-        elif self.name == "First Principles+TB":
-            task_map = {
-                "first_principles": self.tasks[0],
-                "tb": self.tasks[1],
-            }
+        elif self.name == "FirstPrinciples+TB":
+            task_map["first_principles"] = task_map.pop("firstprinciples")
             self.get_electronic_structure_workflow_results(task_map)
 
 

tests/conftest.py

@@ -558,7 +558,7 @@ def get_template_dmft_workflow() -> EntryArchive:
     run_normalize(archive_dmft)
     # Defining Projection and DMFT tasks for later the DMFT workflow
     task_proj = TaskReference(task=archive_tb.workflow2)
-    task_proj.name = "Projection"
+    task_proj.name = "TB"
     task_proj.inputs = [
         Link(name="Input structure", section=archive_tb.run[-1].system[-1])
     ]
@@ -623,15 +623,15 @@ def get_template_maxent_workflow() -> EntryArchive:
         )
     ]
     task_maxent = TaskReference(task=archive_dmft.workflow2)
-    task_maxent.name = "MaxEnt Sigma"
+    task_maxent.name = "MaxEnt"
     task_maxent.inputs = [
         Link(
             name="Output DMFT calculation", section=archive_dmft.run[-1].calculation[-1]
         )
     ]
     task_maxent.outputs = [
         Link(
-            name="Output MaxEnt Sigma calculation",
+            name="Output MaxEnt calculation",
             section=archive_maxent.run[-1].calculation[-1],
         )
     ]
@@ -655,7 +655,7 @@ def get_template_maxent_workflow() -> EntryArchive:
     )
     outputs = [
         Link(
-            name="Output MaxEnt Sigma calculation",
+            name="Output MaxEnt calculation",
             section=archive_dmft.run[-1].calculation[-1],
         ),
         Link(

tests/test_simulationworkflowschema.py

@@ -94,7 +94,7 @@ def test_gw_workflow(gw_workflow):
 def test_dmft_workflow(dmft_workflow):
     """Testing DMFT workflow entry"""
     workflow = dmft_workflow.workflow2
-    assert workflow.name == "DFT+TB+DMFT"
+    assert workflow.name == "TB+DMFT"
     assert not workflow.method.tb_method_ref.wannier.is_maximally_localized
     assert workflow.method.dmft_method_ref.n_impurities == 1
     assert workflow.method.dmft_method_ref.n_correlated_orbitals[0] == 3
@@ -104,7 +104,7 @@ def test_dmft_workflow(dmft_workflow):
     assert workflow.method.dmft_method_ref.impurity_solver == "CT-HYB"
     results = dmft_workflow.results
     assert results.method.method_name == "DMFT"
-    assert results.method.workflow_name == "DFT+TB+DMFT"
+    assert results.method.workflow_name == "TB+DMFT"
     assert results.method.simulation.program_name == "w2dynamics"
     assert results.method.simulation.dmft.impurity_solver_type == "CT-HYB"
     assert results.method.simulation.dmft.inverse_temperature.magnitude == 60.0