Touchups

aurora/common/models/battery_experiment.py

@@ -10,6 +10,7 @@
 from IPython.display import display
 
 AVAILABLE_SAMPLES_FILE = 'available_samples.json'
+AVAILABLE_PROTOCOLS_FILE = 'available_protocols.json'
 
 STD_RECIPIES = {
  'Load fresh battery into cycler':
@@ -18,37 +19,6 @@
  'Synthesize - Recipe 2': ['step 1', 'step 2', 'step 3'],
 }
 
-STD_PROTOCOLS = {
- "Formation cycles": {
- "Procedure": [
- "6h rest", "CCCV Charge, C/10 (CV condition: i<C/50)",
- "CC Discharge, D/10", "Repeat 3 times"
- ],
- "Cutoff conditions":
- "2.5 to 4.2 V, upper voltage to be changed depending on the chemistry",
- },
- "Power test Charge focus": {
- "Procedure": [
- "6h rest", "CC Charge (CV condition: i<C/50)", "(C/20 + D/20) x 5",
- "(C/10 + D/20) x 5", "(C/5 + D/20) x 5", "(C/2 + D/20) x 5",
- "(1C + D/20) x 5", "(2C + D/20) x 5", "(5C + D/20) x 5",
- "(C/20 + D/20) x 5"
- ],
- "Cutoff conditions":
- "2.5 to 4.2 V, upper voltage to be changed depending on the chemistry",
- },
- "Power test Discharge focus": {
- "Procedure": [
- "6h rest", "CCCV Charge (CV condition: i<C/50)",
- "(C/20 + D/20) x 5", "(C/20 + D/10) x 5", "(C/20 + D/50) x 5",
- "(C/20 + D/2) x 5", "(C/20 + 1D) x 5", "(C/20 + 2D) x 5",
- "(C/20 + 5D) x 5", "(C/20 + D/20) x 5"
- ],
- "Cutoff conditions":
- "2.5 to 4.2 V, upper voltage to be changed depending on the chemistry",
- },
-}
-
 
 class BatteryExperimentModel():
  """The model that controls the submission of a process for a set of batteries."""
@@ -59,20 +29,25 @@ def __init__(self):
  self.list_of_observers = []
  self.list_of_observations = []
 
- self.available_samples = None
+ self.available_samples = pd.DataFrame()
  self.available_specs = None
  self.available_recipies = None
- self.available_protocols = None
+ self.available_protocols = []
 
  self.update_available_samples()
  self.update_available_specs()
  self.update_available_recipies()
  self.update_available_protocols()
 
- self.selected_samples = []
+ self.selected_samples = pd.DataFrame()
  self.selected_protocol = ElectroChemSequence(method=[])
  self.add_protocol_step() # initialize sequence with first default step
 
+ def reset_inputs(self):
+ """Resets all inputs."""
+ # Not implemented yet...
+ return None
+
  # ----------------------------------------------------------------------#
  # METHODS RELATED TO OBSERVABLES
  # ----------------------------------------------------------------------#
@@ -93,10 +68,9 @@ def update_observers(self, observators_chain=None):
  # ----------------------------------------------------------------------#
  # METHODS RELATED TO SAMPLES
  # ----------------------------------------------------------------------#
- def reset_inputs(self):
+ def reset_selected_samples(self):
  """Resets all inputs."""
- # Not implemented yet...
- return None
+ self.selected_samples = self.available_samples[:0]
 
  def add_selected_samples(self, sample_ids: List[int]) -> None:
  """Add selected samples to list.
@@ -230,14 +204,6 @@ def update_available_recipies(self, observators_chain=None):
  observators_chain += ' -> update_available_recipies'
  self.update_observers(observators_chain)
 
- def update_available_protocols(self, observators_chain=None):
- global STD_PROTOCOLS
- self.available_protocols = STD_PROTOCOLS.copy()
- if observators_chain is None:
- observators_chain = ''
- observators_chain += ' -> update_available_protocols'
- self.update_observers(observators_chain)
-
  def query_available_specs(
  self,
  field: Optional[str] = None,
@@ -300,8 +266,26 @@ def query_available_recipies(self):
  """A mock function that returns the available synthesis recipies."""
  return self.available_recipies
 
- def query_available_protocols(self):
- """A mock function that returns the available synthesis recipies."""
+ def query_available_protocols(
+ self,
+ ids: Optional[List[int]] = None,
+ ) -> List[ElectroChemSequence]:
+ """Return protocols from local cache.
+
+ Optionally filtered by protocol `ids`.
+
+ Parameters
+ ----------
+ `ids` : `Optional[List[int]]`
+ A list of protocol ids, `None` by default.
+
+ Returns
+ -------
+ `List[ElectroChemSequence]`
+ A list of protocols.
+ """
+ if ids is not None:
+ return [self.available_protocols[i] for i in ids]
  return self.available_protocols
 
  def write_pd_query_from_dict(self, query_dict: dict) -> Optional[str]:
@@ -343,34 +327,43 @@ def display_query_results(self, query: dict) -> None:
  col = df.pop("battery_id")
  df.insert(0, col.name, col)
 
- display(
- df.rename(
- columns={
- "battery_id": 'id',
- "form_factor": 'form factor',
- "composition.description": 'composition',
- "capacity.nominal": 'C nominal',
- "capacity.actual": 'C actual',
- "capacity.units": 'C units',
- "metadata.name": 'name',
- "metadata.creation_datetime": 'creation date',
- "metadata.creation_process": 'creation process',
- }).style.set_table_styles([
- dict(
- selector='th',
- props=[
- ('text-align', 'center'),
- ("width", "100vw"),
- ],
- ),
- dict(
- selector='td',
- props=[
- ('text-align', 'center'),
- ("width", "100vw"),
- ],
- )
- ]).hide_index())
+ df = df.rename(
+ columns={
+ "battery_id": 'id',
+ "form_factor": 'form factor',
+ "composition.description": 'composition',
+ "capacity.nominal": 'C nominal',
+ "capacity.actual": 'C actual',
+ "capacity.units": 'C units',
+ "metadata.name": 'name',
+ "metadata.creation_datetime": 'creation date',
+ "metadata.creation_process": 'creation process',
+ })
+
+ styler = df.style
+
+ styler = styler.set_table_attributes('style="margin-top: 0"')
+
+ styler = styler.set_table_styles([
+ dict(
+ selector='th',
+ props=[
+ ('text-align', 'center'),
+ ("width", "100vw"),
+ ],
+ ),
+ dict(
+ selector='td',
+ props=[
+ ('text-align', 'center'),
+ ("width", "100vw"),
+ ],
+ )
+ ])
+
+ styler = styler.hide(axis="index")
+
+ display(styler)
 
  # ----------------------------------------------------------------------#
  # METHODS RELATED TO PROTOCOLS
@@ -415,18 +408,50 @@ def load_protocol(self, filepath):
  self.selected_protocol = ElectroChemSequence(**json_data)
  self.update_observers()
 
- def save_protocol(self, filepath):
- """Saves the protocol from a file."""
- if filepath is None:
- return
+ def save_protocol(self):
+ """Save the protocol to a file."""
+
+ self.available_protocols.append(self.selected_protocol)
+
+ protocols = [p.dict() for p in self.available_protocols]
 
  try:
- json_data = json.dumps(self.selected_protocol.dict(), indent=2)
- except Exception as err:
- json_data = str(err)
 
- with open(filepath, 'w') as fileobj:
- fileobj.write(str(json_data))
+ try:
+ json_data = json.dumps(protocols, indent=2)
+ except Exception as err:
+ json_data = str(err)
+
+ with open(AVAILABLE_PROTOCOLS_FILE, 'w+') as fileobj:
+ fileobj.write(json_data)
+
+ except OSError as err:
+ print(f"Failed to save protocols => '{str(err)}'")
+
+ def update_available_protocols(
+ self,
+ source_file=AVAILABLE_PROTOCOLS_FILE,
+ ) -> None:
+ """Update available protocols cache from local file.
+
+ Considered empty if failure to find/load file.
+
+ Parameters
+ ----------
+ `source_file` : `str`
+ The path to the local protocols file,
+ `AVAILABLE_PROTOCOLS_FILE` by default.
+ """
+
+ try:
+ with open(source_file) as f:
+ data = json.load(f)
+ except OSError:
+ data = {}
+
+ self.available_protocols = [
+ ElectroChemSequence(**protocol) for protocol in data
+ ]
 
 
 def _process_dict(query_dict: dict) -> dict:

aurora/experiment/samples/from_id.py

@@ -61,10 +61,9 @@ class SampleFromId(ipw.VBox):
  }
 
  PREVIEW_LAYOUT = {
- "margin": "0 auto 10px auto",
- "height": "150px",
- "max_height": "150px",
- "overflow": "auto",
+ "margin": "0 2px 20px",
+ "max_height": "300px",
+ "overflow_y": "scroll",
  "align_items": "center",
  }
 
@@ -95,7 +94,7 @@ def __init__(
 
  self.experiment_model = experiment_model
 
- filters_container = self._build_filter_container()
+ self.filters_container = self._build_filter_container()
 
  selection_container = self._build_selection_container()
 
@@ -109,12 +108,29 @@ def __init__(
  layout=self.VALIDATE_BUTTON_LAYOUT,
  )
 
+ self.reset_button = ipw.Button(
+ layout={},
+ style={},
+ description="Reset",
+ button_style='danger',
+ tooltip="Clear selection",
+ icon='times',
+ )
+
  super().__init__(
  layout={},
  children=[
- filters_container,
+ self.filters_container,
  selection_container,
- self.w_validate,
+ ipw.HBox(
+ layout={
+ "align_items": "center",
+ },
+ children=[
+ self.w_validate,
+ self.reset_button,
+ ],
+ ),
  ],
  )
 
@@ -188,7 +204,7 @@ def selected_samples(self) -> List[BatterySample]:
  # widgets
  #########
 
- def _build_filter_container(self) -> ipw.VBox:
+ def _build_filter_container(self) -> ipw.Accordion:
  """Build the filters section. Includes filter widgets and
  controls.
 
@@ -527,19 +543,23 @@ def on_update_filters_button_click(self, _=None) -> None:
 
  def on_reset_filters_button_click(self, _=None) -> None:
  """Reset current spec selections."""
- self.w_specs_manufacturer.value = None
- self.w_specs_composition.value = None
- self.w_specs_form_factor.value = None
- self.w_specs_capacity.value = None
- # self.w_specs_metadata_creation_date.value = None
- # self.w_specs_metadata_creation_process.value = None
+ self.reset_filters()
 
  def on_spec_value_change(self, _=None):
  """Update spec and sample options."""
  # TODO this does a lot per value change. Consider decoupling!
  self.update_spec_options()
  self.update_sample_options()
 
+ def reset_filters(self) -> None:
+ """docstring"""
+ self.w_specs_manufacturer.value = None
+ self.w_specs_composition.value = None
+ self.w_specs_form_factor.value = None
+ self.w_specs_capacity.value = None
+ # self.w_specs_metadata_creation_date.value = None
+ # self.w_specs_metadata_creation_process.value = None
+
  def update_sample_options(self) -> None:
  """Fetch and update current sample options."""
  self.experiment_model.update_available_samples()
@@ -616,6 +636,14 @@ def update_selected_list_options(self) -> None:
  # TODO discard redundant method!
  self.w_selected_list.options = self._update_selected_list()
 
+ def reset(self, _=None) -> None:
+ """docstring"""
+ self.filters_container.selected_index = None
+ self.w_sample_list.value = []
+ self.w_selected_list.options = []
+ self.reset_filters()
+ self.experiment_model.reset_selected_samples()
+
  def _build_single_spec_options(
  self,
  spec_field: str,
@@ -749,6 +777,8 @@ def _set_event_listeners(self, validate_callback_f) -> None:
  self.w_validate.on_click(
  lambda arg: self.on_validate_button_click(validate_callback_f))
 
+ self.reset_button.on_click(self.reset)
+
  def _set_specs_observers(self) -> None:
  """Set up event listeners for spec filters."""