Thermo refactor

README.md

@@ -4,7 +4,7 @@ Python implementation of the Kampmann-Wagner Numerical (KWN) model to predict pr
 
 Notes
 -----
-There are some API changes between kawin 0.3.0 and 0.2.0. Please see the examples for more details.
+There has been a lot of changes in the API between the current release and the development version of kawin. The current examples reflect the API of the development version. Examples using the release API can be found in commit f748761. Users of the development version are encouraged to switch to the new API. While back-compatibility was sought to be maintained, there may have been some changes. If there are any issues in running the development or release version of kawin, please open an issue.
 
 Installation
 ------------

kawin/Constants.py

@@ -0,0 +1,5 @@
+
+# Constants that all modules may find useful
+GAS_CONSTANT = 8.314
+AVOGADROS_NUMBER = 6.022e23
+BOLTZMANN_CONSTANT = GAS_CONSTANT / AVOGADROS_NUMBER

kawin/GenericModel.py

@@ -32,40 +32,20 @@
     def __init__(self):
         self.clearCouplingModels()
 
-    def _getVarDict(self):
+    def toDict(self):
         '''
-        Returns variable dictionary mapping variable name to internal member name
+        Creates a dictionary data set of the following:
+            - this will only save the data that was solved for and not model parameters
 
-        This is used to when saving the model into a npz format, where the member names
-        will be replaced with the variable names defined by this dictionary
+        TODO: eventually support saving model parameters. This is a bit tough with all the nested parameters right now
         '''
         return {}
 
-    def _addExtraSaveVariables(self, saveDict):
-        '''
-        Adds extra variables to the save dictionary that are not covered by the variable dictionary
-            The variable dictionary only cover members that can be retrieved from getattr, so
-            this function is used to save data if it is from another class that itself is an attribute
-
-        Parameters
-        ----------
-        saveDict : dictionary { str : np.ndarray }
-            Dictionary to add data to
-        '''
-        return
-
-    def _loadExtraVariables(self, data):
-        '''
-        Loads extra variables in data not covered by the variable dictionary
-
-        Parameters
-        ----------
-        data : dictionary { str : np.ndarray }
-            Dictionary to read data from
-        '''
-        return
+    @classmethod
+    def fromDict(self, data):
+        pass
 
-    def save(self, filename, compressed = True):
+    def save(self, filename: str):
         '''
         Saves model data into file
 
@@ -80,32 +60,16 @@
         compressed : bool (defaults to True)
             Whether to save in compressed format
         '''
-        varDict = self._getVarDict()
-        saveDict = {}
-        for var in varDict:
-            saveDict[var] = getattr(self, varDict[var])
-        self._addExtraSaveVariables(saveDict)
-        if compressed:
-            np.savez_compressed(filename, **saveDict)
-        else:
-            np.savez(filename, **saveDict)
-
-    def _loadData(self, data):
-        '''
-        Loads data taken from .npz file into model
-
-        1. Sets attributes using mapping defined from _getVarDict
-        2. Loads extra variables using _loadExtraVariables
+        data = self.toDict()
+        if not filename.endswith('.npz'):
+            filename += '.npz'
+        np.savez_compressed(filename, **data)
 
-        Parameters
-        ----------
-        data : dictionary { str : np.ndarray }
-            Data to load from
-        '''
-        varDict = self._getVarDict()
-        for var in varDict:
-            setattr(self, varDict[var], data[var])
-        self._loadExtraVariables(data)
+    def load(self, filename: str):
+        if not filename.endswith('.npz'):
+            filename += '.npz'
+        data = np.load(filename)
+        self.fromDict(dict(data))
 
     def addCouplingModel(self, model):
         '''
@@ -261,7 +225,7 @@
         This is sometimes useful for determining the time step
         '''
         self.deltaTime = simTime
-        self.startTime = currTime
+        self.initialTime = currTime
         self.finalTime = currTime+simTime
 
     def flattenX(self, X):
@@ -347,8 +311,8 @@
 
         t, X0 = self.getCurrentX()
         self.setTimeInfo(t, simTime)
-        solver.solve(self.startTime, X0, self.finalTime, verbose, vIt)
-        #solver.solve(self.getdXdt, self.startTime, X0, self.finalTime, verbose, vIt, self.correctdXdt, self.flattenX, self.unflattenX)
+        solver.solve(self.initialTime, X0, self.finalTime, verbose, vIt)
+        #solver.solve(self.getdXdt, self.initialTime, X0, self.finalTime, verbose, vIt, self.correctdXdt, self.flattenX, self.unflattenX)
 
 class Coupler(GenericModel):
     '''