Callback function

.github/workflows/CI_Tests.yml

@@ -26,16 +26,11 @@ jobs:
         python-version: '3.9'
         cache: 'pip' 
 
-    - name: Install dependencies
-      run: |
-        python -m pip install --upgrade pip
-        pip install -r requirements.txt
-
     - name: Install this package
-      run: pip install -e .
+      run: pip install -e '.[dev]'
 
     - name: Run pytest
-      run: cd tests && pytest
+      run: pytest
 
     - name: Run the smoke tests
       run: |

README.md

@@ -26,12 +26,17 @@ The package is also available on PyPi and can be installed in any Python environ
 pip install acom_music_box
 ```
 
-# Tests
+# Developing
 
-After installing music box for local development `pip install -e .`
+Install music box as an editable installation.
+
+```
+pip install -e '.[dev]'
+```
+
+After installing music box for local development
 
 ```
-cd tests
 pytest
 ```
 

pyproject.toml

@@ -33,3 +33,9 @@ Home = "https://github.com/NCAR/music-box"
 [project.scripts]
 music_box = "acom_music_box.main:main"
 waccmToMusicBox = "acom_music_box.tools.waccmToMusicBox:main"
+
+[project.optional-dependencies]
+dev = [
+  "pytest",
+  "pytest-mock"
+]

src/acom_music_box/music_box.py

@@ -430,7 +430,7 @@ def create_solver(
             solver_type,
             number_of_grid_cells)
 
-    def solve(self, output_path=None):
+    def solve(self, output_path=None, callback=None):
         """
         Solves the box model simulation and optionally writes the output to a file.
 
@@ -439,8 +439,8 @@ def solve(self, output_path=None):
         the specified file.
 
         Args:
-            path_to_output (str, optional): The path to the file where the output will
-            be written. If None, no output file is created. Defaults to None.
+            output_path (str, optional): The path to the file where the output will be written. If None, no output file is created. Defaults to None.
+            callback (function, optional): A callback function that is called after each time step. Defaults to None. The callback will take the most recent results, the current time, conditions, and the total simulation time as arguments.
 
         Returns:
             list: A 2D list where each inner list represents the results of the simulation
@@ -539,6 +539,11 @@ def solve(self, output_path=None):
                 output_array.append(row)
                 next_output_time += self.box_model_options.output_step_time
 
+                # calls callback function if present
+                if callback is not None:
+                    df = pd.DataFrame(output_array[:-1], columns=output_array[0])
+                    callback(df, curr_time, curr_conditions, self.box_model_options.simulation_length)
+
             # ensure the time step is not greater than the next update to the
             # evolving conditions or the next output time
             time_step = self.box_model_options.chem_step_time
@@ -561,7 +566,6 @@ def solve(self, output_path=None):
 
             # increments time
             curr_time += time_step
-
         df = pd.DataFrame(output_array[1:], columns=output_array[0])
         # outputs to file if output is present
         if output_path is not None:

tests/test_carbon_bond_5.py → tests/integration/test_carbon_bond_5.py

@@ -23,8 +23,11 @@ def test_run(self):
         df = box_model.solve()
         model_output = [df.columns.values.tolist()] + df.values.tolist()
 
+        current_dir = os.path.dirname(__file__)
+        expected_results_path = os.path.join(current_dir, "expected_results/full_gas_phase_mechanism.csv")
+
         # read wall_loss_test.csv into test_output
-        with open("expected_results/full_gas_phase_mechanism.csv", "r") as file:
+        with open(expected_results_path, "r") as file:
             reader = csv.reader(file)
             test_output = list(reader)
 

tests/test_chapman.py → tests/integration/test_chapman.py

@@ -23,8 +23,11 @@ def test_run(self):
         df = box_model.solve()
         model_output = [df.columns.values.tolist()] + df.values.tolist()
 
+        current_dir = os.path.dirname(__file__)
+        expected_results_path = os.path.join(current_dir, "expected_results/chapman_test.csv")
+
         # read chapman_test.csv into test_output
-        with open("expected_results/chapman_test.csv", "r") as file:
+        with open(expected_results_path, "r") as file:
             reader = csv.reader(file)
             test_output = list(reader)
 

tests/test_flow_tube.py → tests/integration/test_flow_tube.py

@@ -23,8 +23,11 @@ def test_run(self):
         df = box_model.solve()
         model_output = [df.columns.values.tolist()] + df.values.tolist()
 
+        current_dir = os.path.dirname(__file__)
+        expected_results_path = os.path.join(current_dir, "expected_results/wall_loss_test.csv")
+
         # read wall_loss_test.csv into test_output
-        with open("expected_results/wall_loss_test.csv", "r") as file:
+        with open(expected_results_path, "r") as file:
             reader = csv.reader(file)
             test_output = list(reader)
 

tests/unit/test_callback.py

@@ -0,0 +1,33 @@
+from acom_music_box import MusicBox, Examples
+import os
+
+def callback(df, current_time, current_conditions, total_simulation_time):
+  print(f"Current time: {current_time} s, total simulation time: {total_simulation_time} s, percentage complete: {current_time / total_simulation_time * 100:.2f}%")
+
+
+class TestCallbackFunction:
+    def test_run(self, mocker):
+        box_model = MusicBox()
+
+        conditions_path = Examples.Analytical.path
+        box_model.readConditionsFromJson(conditions_path)
+
+        camp_path = os.path.join(
+            os.path.dirname(conditions_path),
+            box_model.config_file)
+
+        box_model.create_solver(camp_path)
+
+        # Mock the callback function
+        callback_mock = mocker.Mock(side_effect=callback)
+
+        # Run the solver with the mocked callback
+        box_model.solve(callback=callback_mock)
+
+        # Assert that the callback was called at least once
+        callback_mock.assert_called()
+
+
+if __name__ == "__main__":
+    test = TestCallbackFunction()
+    test.test_run()