(PR #38) hotfixes

* Persist workflow steps via `ctx`
* Fix charge integration
* Fix bug in data fetching from remote folder
* Update initiative timeline

README.md

@@ -6,7 +6,7 @@
 # aiida-aurora
 
 AiiDA plugin for the Aurora project (autonomous robotic battery innovation platform).
-A collaboration between EPFL & Empa, within the BIG-MAP Stakeholder Initiative Call 2021.
+A collaboration between EPFL & Empa, within the BIG-MAP Stakeholder Initiative Call 2021-2023.
 
 ## Repository contents
 

aiida_aurora/utils/cycling_analysis.py

@@ -339,7 +339,7 @@ def get_data_from_remote(source: RemoteData) -> dict:
         The post-processed data dictionary.
     """
     try:
-        remote_path = source.get_attribute("remote_path")
+        remote_path = source.attributes["remote_path"]
         with open(f"{remote_path}/snapshot.json") as file:
             return get_data_from_file(file)
     except Exception:

aiida_aurora/utils/parsers.py

@@ -41,11 +41,12 @@ def get_data_from_results(array_node) -> dict:
 def post_process_data(t: np.ndarray, Ewe: np.ndarray, I: np.ndarray) -> dict:
     """docstring"""
 
-    # find half-cycle markers
-    # add last point if not already a marker
-    idx = np.where(np.diff(np.sign(I)) != 0)[0]
-    if (final := len(I) - 1) not in idx:
-        idx = np.append(idx, final)
+    mask = I != 0  # filter out zero current
+    t, Ewe, I = t[mask], Ewe[mask], I[mask]
+
+    # mark half-cycles (including first and last values)
+    idx = np.where(np.diff(np.sign(I), prepend=0) != 0)[0]
+    idx = np.append(idx, len(I))
 
     # integrate and store charge and discharge currents
     Qc, Qd = [], []

aiida_aurora/workflows/cycling_sequence.py

@@ -109,11 +109,11 @@ def define(cls, spec):
 
     def setup_workload(self):
         """Create an ordered list of protocol step names."""
-        self.worksteps_keynames = list(self.inputs["protocol_order"])
+        self.ctx.steps = list(self.inputs["protocol_order"])
 
     def has_steps_remaining(self):
         """Check if there is any remaining step."""
-        return len(self.worksteps_keynames) > 0
+        return len(self.ctx.steps) > 0
 
     def inspect_cycling_step(self):
         """Verify that the last cycling step finished successfully."""
@@ -127,7 +127,7 @@ def inspect_cycling_step(self):
 
     def run_cycling_step(self):
         """Run the next cycling step."""
-        protocol_name = self.worksteps_keynames.pop(0)
+        protocol_name = self.ctx.steps.pop(0)
 
         inputs = {
             'code': self.inputs.tomato_code,