review fixes

rascal2/__init__.py

@@ -0,0 +1 @@
+RASCAL2_VERSION = "0.0.0"

rascal2/core/runner.py

@@ -1,6 +1,7 @@
 """QObject for running RAT."""
 
 from dataclasses import dataclass
+from logging import INFO
 from multiprocessing import Process, Queue
 
 import RATapi as RAT
@@ -26,6 +27,7 @@ def __init__(self, rat_inputs, procedure: Procedures, display_on: bool):
 
         self.process = Process(target=run, args=(self.queue, rat_inputs, procedure, display_on))
 
+        self.updated_problem = None
         self.results = None
         self.error = None
         self.events = []
@@ -46,17 +48,16 @@ def check_queue(self):
         if not self.process.is_alive():
             self.timer.stop()
         self.queue.put(None)
-        # the queue should never be empty at this line (because we just put a
-        # None in it) but if it is, it'd hang forever - we add the timeout
-        # to avoid this happening just in case
-        for item in iter(lambda: self.queue.get(timeout=500), None):
-            if isinstance(item, (RAT.outputs.Results, RAT.outputs.BayesResults)):
-                self.results = item
+        for item in iter(self.queue.get, None):
+            if isinstance(item, tuple):
+                self.updated_problem, self.results = item
                 self.finished.emit()
             elif isinstance(item, Exception):
                 self.error = item
                 self.stopped.emit()
             else:  # else, assume item is an event
+                if isinstance(item, str):
+                    item.rstrip()
                 self.events.append(item)
                 self.event_received.emit()
 
@@ -81,7 +82,7 @@ def run(queue, rat_inputs: tuple, procedure: str, display: bool):
     if display:
         RAT.events.register(RAT.events.EventTypes.Message, queue.put)
         RAT.events.register(RAT.events.EventTypes.Progress, queue.put)
-        queue.put(LogData(20, "Starting RAT"))
+        queue.put(LogData(INFO, "Starting RAT"))
 
     try:
         problem_definition, output_results, bayes_results = RAT.rat_core.RATMain(
@@ -93,10 +94,10 @@ def run(queue, rat_inputs: tuple, procedure: str, display: bool):
         return
 
     if display:
-        queue.put(LogData(20, "Finished RAT"))
+        queue.put(LogData(INFO, "Finished RAT"))
         RAT.events.clear()
 
-    queue.put(results)
+    queue.put((problem_definition, results))
     return
 
 

rascal2/core/settings.py

@@ -89,6 +89,7 @@ class Settings(BaseModel, validate_assignment=True, arbitrary_types_allowed=True
 
     log_path: str = Field(default="logs/rascal.log", title="logging", description="Path to Log File")
     log_level: LogLevels = Field(default=LogLevels.Info, title="logging", description="Minimum Log Level")
+    clear_terminal: bool = Field(default=True, title="logging", description="Clear Terminal when Run Starts")
 
     mdi_defaults: MDIGeometries | None = Field(default=None, title="windows", description="Default Window Geometries")
 

rascal2/ui/model.py

@@ -27,3 +27,19 @@ def create_project(self, name: str, save_path: str):
         self.project = RAT.Project(name=name)
         self.controls = RAT.Controls()
         self.save_path = save_path
+
+    def update_project(self, problem_definition: RAT.rat_core.ProblemDefinition):
+        """Update the project given a set of results."""
+        parameter_field = {
+            "parameters": "params",
+            "bulk_in": "bulkIn",
+            "bulk_out": "bulkOut",
+            "scalefactors": "scalefactors",
+            "domain_ratios": "domainRatio",
+            "background_parameters": "backgroundParams",
+            "resolution_parameters": "resolutionParams",
+        }
+
+        for class_list in RAT.project.parameter_class_lists:
+            for index, value in enumerate(getattr(problem_definition, parameter_field[class_list])):
+                getattr(self.project, class_list)[index].value = value

rascal2/ui/presenter.py

@@ -79,6 +79,11 @@ def interrupt_terminal(self):
 
     def run(self):
         """Run RAT."""
+        # reset terminal
+        self.view.terminal_widget.progress_bar.setVisible(False)
+        if self.view.settings.clear_terminal:
+            self.view.terminal_widget.clear()
+
         rat_inputs = RAT.inputs.make_input(self.model.project, self.model.controls)
         display_on = self.model.controls.display != RAT.utils.enums.Display.Off
 
@@ -90,15 +95,15 @@ def run(self):
 
     def handle_results(self):
         """Handle a RAT run being finished."""
-        results = self.runner.results
-        self.view.handle_results(results)
+        self.model.update_project(self.runner.updated_problem)
+        self.view.handle_results(self.runner.results)
 
     def handle_interrupt(self):
         """Handle a RAT run being interrupted."""
         if self.runner.error is None:
             self.view.logging.info("RAT run interrupted!")
         else:
-            self.view.logging.critical(f"RAT run failed with exception:\n{self.runner.error}")
+            self.view.logging.error(f"RAT run failed with exception:\n{self.runner.error}")
         self.view.end_run()
 
     def handle_event(self):

rascal2/ui/view.py

@@ -250,4 +250,3 @@ def handle_results(self, results):
     def end_run(self):
         """Reset widgets after a run."""
         self.controls_widget.run_button.setChecked(False)
-        self.terminal_widget.progress_bar.setVisible(False)

rascal2/widgets/terminal.py

@@ -5,6 +5,8 @@
 
 from PyQt6 import QtGui, QtWidgets
 
+from rascal2 import RASCAL2_VERSION
+
 
 class TerminalWidget(QtWidgets.QWidget):
     """Widget for displaying program output."""
@@ -40,26 +42,40 @@ def __init__(self, parent=None):
         widget_layout.setContentsMargins(0, 0, 0, 0)
         self.setLayout(widget_layout)
 
-        version = metadata.version("rascal2")
         self.write(
             """
- ███████████                       █████████    █████████   █████      
-░░███░░░░░███                     ███░░░░░███  ███░░░░░███ ░░███       
- ░███    ░███   ██████    █████  ███     ░░░  ░███    ░███  ░███       
- ░██████████   ░░░░░███  ███░░  ░███          ░███████████  ░███       
- ░███░░░░░███   ███████ ░░█████ ░███          ░███░░░░░███  ░███       
+ ███████████                       █████████    █████████   █████
+░░███░░░░░███                     ███░░░░░███  ███░░░░░███ ░░███
+ ░███    ░███   ██████    █████  ███     ░░░  ░███    ░███  ░███
+ ░██████████   ░░░░░███  ███░░  ░███          ░███████████  ░███
+ ░███░░░░░███   ███████ ░░█████ ░███          ░███░░░░░███  ░███
  ░███    ░███  ███░░███  ░░░░███░░███     ███ ░███    ░███  ░███      █
  █████   █████░░████████ ██████  ░░█████████  █████   █████ ███████████
-░░░░░   ░░░░░  ░░░░░░░░ ░░░░░░    ░░░░░░░░░  ░░░░░   ░░░░░ ░░░░░░░░░░░ 
+░░░░░   ░░░░░  ░░░░░░░░ ░░░░░░    ░░░░░░░░░  ░░░░░   ░░░░░ ░░░░░░░░░░░
 """
         )
-        self.write_html(f"<b>RasCAL-2:</b> software for neutron reflectivity calculations <b>v{version}</b>")
+        self.write_html(f"<b>RasCAL-2:</b> software for neutron reflectivity calculations <b>v{RASCAL2_VERSION}</b>")
+
+    def write(self, text: str):
+        """Append plain text to the terminal.
+
+        Parameters
+        ----------
+        text : str
+            The text to append.
 
-    def write(self, text):
+        """
         self.text_area.appendPlainText(text)
 
-    def write_html(self, text):
-        """Append HTML text to the terminal."""
+    def write_html(self, text: str):
+        """Append HTML text to the terminal.
+
+        Parameters
+        ----------
+        text : str
+            The HTML to append.
+
+        """
         self.text_area.appendHtml(text)
 
     def clear(self):

tests/core/test_runner.py

@@ -50,9 +50,10 @@ def test_interrupt(mock_process):
     "queue_items",
     [
         ["message!"],
-        ["message!", MagicMock(spec=RAT.outputs.Results)],
-        [MagicMock(spec=RAT.outputs.BayesResults)],
+        ["message!", (MagicMock(spec=RAT.rat_core.ProblemDefinition), MagicMock(spec=RAT.outputs.Results))],
+        [(MagicMock(spec=RAT.rat_core.ProblemDefinition), MagicMock(spec=RAT.outputs.BayesResults))],
         [make_progress_event(0.6)],
+        [make_progress_event(0.5), ValueError("Runner error!")],
         ["message 1!", make_progress_event(0.4), "message 2!"],
     ],
 )
@@ -66,7 +67,7 @@ def test_check_queue(mock_process, queue_items):
 
     runner.check_queue()
 
-    assert len(runner.events) == len([x for x in queue_items if not isinstance(x, RAT.outputs.Results)])
+    assert len(runner.events) == len([x for x in queue_items if not isinstance(x, (tuple, Exception))])
     for i, item in enumerate(runner.events):
         if isinstance(item, RAT.events.ProgressEventData):
             assert item.percent == queue_items[i].percent
@@ -75,6 +76,9 @@ def test_check_queue(mock_process, queue_items):
 
     if runner.results is not None:
         assert isinstance(runner.results, RAT.outputs.Results)
+    if runner.error is not None:
+        assert isinstance(runner.error, ValueError)
+        assert str(runner.error) == "Runner error!"
 
 
 @patch("rascal2.core.runner.Process")
@@ -106,7 +110,7 @@ def test_run(display):
 
     while not queue.empty():
         item = queue.get()
-        if isinstance(item, RAT.outputs.Results):
+        if isinstance(item, tuple):
             # ensure results were the last item to be added
             assert queue.empty()
         else: