Added command-line arguments.

src/acom_music_box/goMusicBox.bat

@@ -1 +1 @@
-python music_box_main.py
+python music_box_main.py homeDir="C:\\2024\MusicBox\music-box\\tests\\configs\\analytical_config\\"

src/acom_music_box/music_box.py

@@ -487,9 +487,7 @@ def solve(self, path_to_output = None):
         next_output_time = curr_time
         #runs the simulation at each timestep
 
-        music_box_logger.progress("solve03 path_to_output = {}".format(path_to_output))
 
-
         while(curr_time <= self.box_model_options.simulation_length):
 
             #outputs to output_array if enough time has elapsed
@@ -518,9 +516,7 @@ def solve(self, path_to_output = None):
 
                 else:
                     next_conditions = None
-
-            music_box_logger.progress("solve033 species_constant_ordering = {}".format(species_constant_ordering))
-
+
 
             #updates M accordingly
             if 'M' in species_constant_ordering:
@@ -529,7 +525,6 @@ def solve(self, path_to_output = None):
                 GAS_CONSTANT = BOLTZMANN_CONSTANT * AVOGADRO_CONSTANT
                 ordered_concentrations[species_constant_ordering['M']] = curr_conditions.pressure / (GAS_CONSTANT * curr_conditions.temperature)
 
-            music_box_logger.progress("solve035 args = {} {} {} {} {}".format(self.box_model_options.chem_step_time, curr_conditions.temperature, curr_conditions.pressure, ordered_concentrations, ordered_rate_constants))
             #solves and updates concentration values in concentration array
             if (not ordered_concentrations):
                 music_box_logger.progress("Warning: ordered_concentrations list is empty.")               

src/acom_music_box/music_box_logger.py

@@ -1,7 +1,7 @@
 import sys
 
 # Class Logger is included here for completeness,
-# but not used because progress() is such a lighweight function.
+# but not used because progress() is such a lightweight function.
 class Logger:
     """
     Logs messages to the console, which can then be captured to a log file.
@@ -15,10 +15,6 @@ def __init__(self):
 
         Args:
             name (str): The name of the reaction.
-            reaction_type (str): The type of the reaction.
-            reactants (List[Reactant]): A list of Reactant instances representing the reactants. Default is an empty list.
-            products (List[Product]): A list of Product instances representing the products. Default is an empty list.
-            scaling_factor (float, optional): A scaling factor for the reaction rate. Defaults to None.
         """
         pass
 

src/acom_music_box/music_box_main.py

@@ -8,14 +8,40 @@
 
 
 
+# Retrieve named arguments from the command line and
+# return in a dictionary of keywords.
+# argPairs = list of arguments, probably from sys.argv
+#       named arguments are formatted like this=3.14159
+# return dictionary of keywords and values
+def getArgsDictionary(argPairs):
+   argDict = {}
+
+   for argPair in argPairs:
+      # the arguments are: arg=value
+      pairValue = argPair.split('=')
+      if (len(pairValue) < 2):
+         argDict[pairValue[0]] = None
+         continue
+
+      argDict[pairValue[0]] = pairValue[1]
+
+   return(argDict)
+
+
+
 if __name__ == "__main__":
     music_box_logger.progress("{}".format(__file__))
     music_box_logger.progress("Start time: {}".format(datetime.datetime.now()))
 
     music_box_logger.progress("Hello, MusicBox World!")
 
-    # set up the home configuration directory TODO: Make this a command-line argument.
-    musicBoxHomeDir = "C:\\2024\\MusicBox\\music-box\\tests\\configs\\analytical_config\\"
+    # retrieve and parse the command-line arguments
+    myArgs = getArgsDictionary(sys.argv)
+
+    # set up the home configuration directory
+    musicBoxHomeDir = "music-box\\tests\\configs\\analytical_config\\"      # default
+    if ("homeDir" in myArgs):
+        musicBoxHomeDir = myArgs.get("homeDir")
 
     # create and load a MusicBox object
     myBox = MusicBox()