[Pyomo.DoE] update documentation

doc/OnlineDocs/explanation/modeling/dae.rst

@@ -1,3 +1,5 @@
+.. _pyomo.dae:
+
 Dynamic Optimization with pyomo.DAE
 ===================================
 

pyomo/contrib/doe/examples/reactor_example.py

@@ -6,6 +6,8 @@
 # Solutions of Sandia, LLC, the U.S. Government retains certain rights in this
 # software.  This software is distributed under the 3-clause BSD License.
 # ____________________________________________________________________________________
+
+# === Required imports ===
 from pyomo.common.dependencies import numpy as np, pathlib
 
 from pyomo.contrib.doe.examples.reactor_experiment import ReactorExperiment
@@ -19,7 +21,10 @@
 # Example for sensitivity analysis on the reactor experiment
 # After sensitivity analysis is done, we perform optimal DoE
 def run_reactor_doe(
-    n_points_for_design=9,
+    n_points_for_C0: int = 9,
+    n_points_for_T0: int = 9,
+    C0_bounds_for_factorial: tuple = (1, 5),
+    T0_bounds_for_factorial: tuple = (300, 700),
     compute_FIM_full_factorial=True,
     plot_factorial_results=True,
     figure_file_name="example_reactor_compute_FIM",
@@ -31,8 +36,10 @@ def run_reactor_doe(
 
     Parameters
     ----------
-    n_points_for_design : int, optional
-        number of points to use for the design ranges, by default 9
+    n_points_for_C0 : int, optional
+        number of points to use for the C0 design range, by default 9
+    n_points_for_T0 : int, optional
+        number of points to use for the T0 design range, by default 9
     compute_FIM_full_factorial : bool, optional
         whether to compute the full factorial design, by default True
     plot_factorial_results : bool, optional
@@ -90,8 +97,8 @@ def run_reactor_doe(
     if compute_FIM_full_factorial:
         # Make design ranges to compute the full factorial design
         design_ranges = {
-            "CA[0]": [1, 5, n_points_for_design],
-            "T[0]": [300, 700, n_points_for_design],
+            "CA[0]": [*C0_bounds_for_factorial, n_points_for_C0],
+            "T[0]": [*T0_bounds_for_factorial, n_points_for_T0],
         }
 
         # Compute the full factorial design with the sequential FIM calculation
@@ -155,4 +162,4 @@ def run_reactor_doe(
 
 
 if __name__ == "__main__":
-    run_reactor_doe()
+    run_reactor_doe(figure_file_name=None)

pyomo/contrib/doe/examples/reactor_experiment.py

@@ -9,7 +9,6 @@
 # === Required imports ===
 import pyomo.environ as pyo
 from pyomo.dae import ContinuousSet, DerivativeVar, Simulator
-
 from pyomo.contrib.parmest.experiment import Experiment
 
 

pyomo/contrib/doe/tests/test_doe_solve.py

@@ -616,7 +616,8 @@ def test_doe_full_factorial(self):
             923636.598578955,
         ]
         ff = run_reactor_doe(
-            n_points_for_design=2,
+            n_points_for_C0=2,
+            n_points_for_T0=2,
             compute_FIM_full_factorial=False,
             plot_factorial_results=False,
             run_optimal_doe=False,
@@ -884,7 +885,8 @@ def cleanup_files():
 
         # Run the reactor example
         run_reactor_doe(
-            n_points_for_design=1,
+            n_points_for_C0=1,
+            n_points_for_T0=1,
             compute_FIM_full_factorial=True,
             plot_factorial_results=True,
             figure_file_name=prefix_linear,
@@ -902,7 +904,8 @@ def cleanup_files():
 
         # Run the reactor example with log scale
         run_reactor_doe(
-            n_points_for_design=1,
+            n_points_for_C0=1,
+            n_points_for_T0=1,
             compute_FIM_full_factorial=True,
             plot_factorial_results=True,
             figure_file_name=prefix_log,