Add proper storage of phase

Author: CalebBell

thermo/electrochem.py

@@ -1376,7 +1376,7 @@ def ion_balance_adjust_wrapper(charges, zs, n_anions, n_cations,
     charge = selected_ion.charge
     positive = charge > 0
     if charge == 0:  # pragma: no cover
-        raise Exception('Cannot adjust selected compound as it has no charge!')
+        raise ValueError('Cannot adjust selected compound as it has no charge!')
 
 
     if selected_ion not in anions and selected_ion not in cations:
@@ -1407,17 +1407,17 @@ def ion_balance_adjust_wrapper(charges, zs, n_anions, n_cations,
     anion_zs, cation_zs, z_water = ion_balance_adjust_one(charges, zs, n_anions, n_cations, adjust=adjust)
     new_zi = cation_zs[cation_index] if positive else anion_zs[anion_index]
     if increase == True and new_zi < old_zi:
-        raise Exception('Adjusting specified ion %s resulted in a decrease of its quantity but an increase was specified' % selected_ion.formula)
+        raise ValueError('Adjusting specified ion %s resulted in a decrease of its quantity but an increase was specified' % selected_ion.formula)
     elif increase == False and new_zi > old_zi:
-        raise Exception('Adjusting specified ion %s resulted in a increase of its quantity but an decrease was specified' % selected_ion.formula)
+        raise ValueError('Adjusting specified ion %s resulted in a increase of its quantity but an decrease was specified' % selected_ion.formula)
     return anion_zs, cation_zs, z_water
 
 
 def ion_balance_adjust_one(charges, zs, n_anions, n_cations, adjust):
     main_tot = sum([zs[i]*charges[i] for i in range(len(charges)) if i != adjust])
     zs[adjust] = -main_tot/charges[adjust]
     if zs[adjust] < 0:
-        raise Exception('A negative value of %f ion mole fraction was required to balance the charge' %zs[adjust])
+        raise ValueError('A negative value of %f ion mole fraction was required to balance the charge' %zs[adjust])
 
     z_water = 1. - sum(zs[0:-1])
     anion_zs = zs[0:n_anions]
@@ -1448,7 +1448,7 @@ def ion_balance_dominant(impacts, balance_error, charges, zs, n_anions,
         else:
             adjust = impacts.index(min(impacts))
     else:
-        raise Exception('Allowable methods are %s' %charge_balance_methods)
+        raise ValueError('Allowable methods are %s' %charge_balance_methods)
     return ion_balance_adjust_one(charges, zs, n_anions, n_cations, adjust)
 
 

thermo/phases.py

@@ -145,7 +145,7 @@
            'VirialCorrelationsPitzerCurl', # For testing - try to get rid of
            ]
 
-import sys
+import sys, os
 from math import isinf, isnan, sqrt
 from fluids.constants import R, R_inv
 import fluids.constants
@@ -6109,19 +6109,26 @@ def build_CEOSLiquid():
     import marshal
     loaded_data = False
     # Cost is ~10 ms - must be pasted in the future!
-    if 1:
-        try:
-            f = open('/home/caleb/testCEOSLiquiddat', 'rb')
+    try:  # pragma: no cover
+        from appdirs import user_data_dir, user_config_dir
+        data_dir = user_config_dir('thermo')
+    except ImportError:  # pragma: no cover
+        data_dir = ''
+    if data_dir:
+        try:
+            f = open(os.path.join(data_dir, 'CEOSLiquid.dat'), 'rb')
             compiled_CEOSLiquid = marshal.load(f)
             f.close()
             loaded_data = True
         except:
             pass
         if not loaded_data:
             compiled_CEOSLiquid = compile(build_CEOSLiquid(), '<string>', 'exec')
-            f = open('/home/caleb/testCEOSLiquiddat', 'wb')
+            f = open(os.path.join(data_dir, 'CEOSLiquid.dat'), 'wb')
             marshal.dump(compiled_CEOSLiquid, f)
             f.close()
+    else:
+        compiled_CEOSLiquid = compile(build_CEOSLiquid(), '<string>', 'exec')
     exec(compiled_CEOSLiquid)
     # exec(build_CEOSLiquid())