created .whl for music_box package

src/analytical_test.py

@@ -1,11 +1,11 @@
 
-from box_model import BoxModel
+from music_box import MusicBox
 
 import math
 
 
 def __main__():
-    box_model = BoxModel()
+    box_model = MusicBox()
 
     #configures box model
     conditions_path = "configs/analytical_config/my_config.json"

src/chapman_test.py

@@ -1,9 +1,9 @@
-from box_model import BoxModel
+from music_box import MusicBox
 import csv
 import math
 
 def __main__():
-    box_model = BoxModel()
+    box_model = MusicBox()
 
     #configures box model
     conditions_path = "configs/chapman_config/my_config.json"

src/music_box.egg-info/PKG-INFO

@@ -0,0 +1,7 @@
+Metadata-Version: 2.1
+Name: music-box
+Version: 0.1
+Summary: MICM based box model
+Home-page: https://github.com/NCAR/music-box
+Author: NCAR
+Author-email: [email protected]

src/music_box.egg-info/SOURCES.txt

@@ -0,0 +1,19 @@
+setup.py
+music_box/__init__.py
+music_box/music_box.py
+music_box/music_box_conditions.py
+music_box/music_box_evolving_conditions.py
+music_box/music_box_model_options.py
+music_box/music_box_product.py
+music_box/music_box_reactant.py
+music_box/music_box_reaction.py
+music_box/music_box_reaction_list.py
+music_box/music_box_reaction_rate.py
+music_box/music_box_species.py
+music_box/music_box_species_concentration.py
+music_box/music_box_species_list.py
+music_box/utils.py
+music_box.egg-info/PKG-INFO
+music_box.egg-info/SOURCES.txt
+music_box.egg-info/dependency_links.txt
+music_box.egg-info/top_level.txt

src/music_box.egg-info/dependency_links.txt

@@ -0,0 +1 @@
+

src/music_box.egg-info/top_level.txt

@@ -0,0 +1 @@
+music_box

src/music_box/__init__.py

@@ -0,0 +1,14 @@
+from .utils import convert_time, convert_pressure, convert_temperature, convert_concentration
+from .music_box_species import Species
+from .music_box_product import Product
+from .music_box_reactant import Reactant
+from .music_box_reaction import Reaction, Branched, Arrhenius, Tunneling, Troe_Ternary
+from .music_box_species_list import SpeciesList
+from .music_box_model_options import BoxModelOptions
+from .music_box_species_concentration import SpeciesConcentration
+from .music_box_reaction_rate import ReactionRate
+from .music_box_conditions import Conditions
+
+from .music_box_evolving_conditions import EvolvingConditions
+from .music_box import MusicBox
+

src/box_model.py → src/music_box/music_box.py

@@ -1,21 +1,16 @@
 import json
 import os
 
-from music_box_evolving_conditions import EvolvingConditions
-from music_box_reaction_list import ReactionList
-from music_box_reaction import Reaction, Branched, Arrhenius, Tunneling, Troe_Ternary
-from music_box_reactant import Reactant
-from music_box_product import Product
-from music_box_species_list import SpeciesList
-from music_box_species import Species
-from music_box_model_options import BoxModelOptions
-from music_box_conditions import Conditions
-from music_box_species_concentration import SpeciesConcentration
-from music_box_reaction_rate import ReactionRate
+from .music_box_evolving_conditions import EvolvingConditions
+from .music_box_reaction_list import ReactionList
+from .music_box_reaction import Reaction, Branched, Arrhenius, Tunneling, Troe_Ternary
+from .music_box_species_list import SpeciesList
+from .music_box_model_options import BoxModelOptions
+from .music_box_conditions import Conditions
 import csv
 import musica
 
-class BoxModel:
+class MusicBox:
     """
     Represents a box model with attributes such as box model options, species list, reaction list,
     initial conditions, and evolving conditions.
@@ -571,20 +566,3 @@ def order_species_concentrations(self, curr_conditions, species_constant_orderin
         return ordered_concentrations
 
 
-
-# for testing purposes
-def __main__():
-    # Create a new instance of the BoxModel class.
-    box_model = BoxModel()
-
-    # Read the box model configuration from a json file.
-    box_model.readFromUIJson("../chapman.json")
-
-    # Generate configuration JSON for the box model simulation.
-    box_model.generateConfig("UI_test")
-
-
-
-
-if __name__ == "__main__":
-    __main__()

src/music_box_conditions.py → src/music_box/music_box_conditions.py

@@ -1,8 +1,9 @@
 from typing import List
-from music_box_reaction_rate import ReactionRate
-from music_box_species import Species
-from music_box_species_concentration import SpeciesConcentration
-import utils
+from .music_box_reaction_rate import ReactionRate
+from .music_box_species import Species
+from .music_box_species_concentration import SpeciesConcentration
+from .utils import convert_time, convert_pressure, convert_temperature, convert_concentration
+
 
 class Conditions:
     """
@@ -42,17 +43,17 @@ def from_UI_JSON(cls, UI_JSON, species_list, reaction_list):
         Returns:
             Conditions: A new instance of the Conditions class.
         """
-        pressure = utils.convert_pressure(UI_JSON['conditions']['environmental conditions']['pressure'], 'initial value')
+        pressure = convert_pressure(UI_JSON['conditions']['environmental conditions']['pressure'], 'initial value')
 
-        temperature = utils.convert_temperature(UI_JSON['conditions']['environmental conditions']['temperature'], 'initial value')
+        temperature = convert_temperature(UI_JSON['conditions']['environmental conditions']['temperature'], 'initial value')
 
         # Set initial species concentrations
         species_concentrations = []
         for chem_spec in UI_JSON['conditions']['chemical species']:
             match = filter(lambda x: x.name == chem_spec, species_list.species)
             species = next(match, None)
 
-            concentration = utils.convert_concentration(UI_JSON['conditions']['chemical species'][chem_spec], 'initial value')
+            concentration = convert_concentration(UI_JSON['conditions']['chemical species'][chem_spec], 'initial value')
 
             species_concentrations.append(SpeciesConcentration(species, concentration))
 
@@ -76,9 +77,9 @@ def from_UI_JSON(cls, UI_JSON, species_list, reaction_list):
 
     @classmethod
     def from_config_JSON(cls, config_JSON, species_list, reaction_list):
-        pressure = utils.convert_pressure(config_JSON['environmental conditions']['pressure'], 'initial value')
+        pressure = convert_pressure(config_JSON['environmental conditions']['pressure'], 'initial value')
 
-        temperature = utils.convert_temperature(config_JSON['environmental conditions']['temperature'], 'initial value')
+        temperature = convert_temperature(config_JSON['environmental conditions']['temperature'], 'initial value')
 
 
         # Set initial species concentrations
@@ -93,7 +94,7 @@ def from_config_JSON(cls, config_JSON, species_list, reaction_list):
         if 'chemical species' in config_JSON:
             for chem_spec in config_JSON['chemical species']:
                 species = Species(name = chem_spec)
-                concentration = utils.convert_concentration(config_JSON['chemical species'][chem_spec], 'initial value')
+                concentration = convert_concentration(config_JSON['chemical species'][chem_spec], 'initial value')
 
                 species_concentrations.append(SpeciesConcentration(species, concentration))
 

src/music_box_evolving_conditions.py → src/music_box/music_box_evolving_conditions.py

@@ -1,9 +1,10 @@
 import csv
 import os
 from typing import List
-from music_box_conditions import Conditions
-from music_box_species_concentration import SpeciesConcentration
-from music_box_reaction_rate import ReactionRate
+from .music_box_conditions import Conditions
+from .music_box_species_concentration import SpeciesConcentration
+from .music_box_reaction_rate import ReactionRate
+
 
 class EvolvingConditions:
     """

src/music_box_model_options.py → src/music_box/music_box_model_options.py

@@ -1,4 +1,5 @@
-import utils
+from .utils import convert_time, convert_pressure, convert_temperature, convert_concentration
+
 
 class BoxModelOptions:
     """
@@ -37,9 +38,9 @@ def from_UI_JSON(cls, UI_JSON):
         Returns:
             BoxModelOptions: A new instance of the BoxModelOptions class.
         """
-        chem_step_time = utils.convert_time(UI_JSON['conditions']['box model options'], 'chemistry time step') 
-        output_step_time = utils.convert_time(UI_JSON['conditions']['box model options'], 'output time step')
-        simulation_length = utils.convert_time(UI_JSON['conditions']['box model options'], 'simulation length')
+        chem_step_time = convert_time(UI_JSON['conditions']['box model options'], 'chemistry time step') 
+        output_step_time = convert_time(UI_JSON['conditions']['box model options'], 'output time step')
+        simulation_length = convert_time(UI_JSON['conditions']['box model options'], 'simulation length')
 
         grid = UI_JSON['conditions']['box model options']['grid']
 
@@ -49,9 +50,9 @@ def from_UI_JSON(cls, UI_JSON):
     @classmethod
     def from_config_JSON(cls, config_JSON):
 
-        chem_step_time = utils.convert_time(config_JSON['box model options'], 'chemistry time step')
-        output_step_time = utils.convert_time(config_JSON['box model options'], 'output time step') 
-        simulation_length = utils.convert_time(config_JSON['box model options'], 'simulation length')
+        chem_step_time = convert_time(config_JSON['box model options'], 'chemistry time step')
+        output_step_time = convert_time(config_JSON['box model options'], 'output time step') 
+        simulation_length = convert_time(config_JSON['box model options'], 'simulation length')
 
         grid = config_JSON['box model options']['grid']
 

src/music_box_reaction_list.py → src/music_box/music_box_reaction_list.py

@@ -1,9 +1,9 @@
 import os
 import json
 from typing import List
-from music_box_reaction import Reaction, Branched, Arrhenius, Tunneling, Troe_Ternary
-from music_box_reactant import Reactant
-from music_box_product import Product
+from .music_box_reaction import Reaction, Branched, Arrhenius, Tunneling, Troe_Ternary
+from .music_box_reactant import Reactant
+from .music_box_product import Product
 
 class ReactionList:
     """

src/music_box_species_list.py → src/music_box/music_box_species_list.py

@@ -1,7 +1,7 @@
 import json
 import os
 from typing import List
-from music_box_species import Species
+from .music_box_species import Species
 
 class SpeciesList:
     """