fixes for melting temperature mode

ICAMS · Apr 4, 2022 · ffb21b6 · ffb21b6
1 parent 5339a6f
commit ffb21b6
Show file tree

Hide file tree

Showing 2 changed files with 13 additions and 5 deletions.
diff --git a/calphy/input.py b/calphy/input.py
@@ -173,13 +173,15 @@ def pressure(self):
 
     @pressure.setter
     def pressure(self, val):
-        print("im here")
-        print(val)
         self._pressure_input = val
         if val is None:
             self._fix_lattice = True
         elif isinstance(val, list):
-            if len(val) == 3:
+            if len(val) == 1:
+                self._pressure = val[0]
+                self._iso = True
+                self._fix_lattice = False
+            elif len(val) == 3:
                 if (val[0]==val[1]==val[2]):
                     self._pressure = val[0]
                     self._iso = False
@@ -202,7 +204,11 @@ def temperature(self):
     @temperature.setter
     def temperature(self, val):
         self._temperature_input = val
-        if isinstance(val, list):
+        if val is None:
+                self._temperature = val
+                self._temperature_stop = val
+                self._temperature_high = val
+        elif isinstance(val, list):
             if len(val) == 2:
                 self._temperature = val[0]
                 self._temperature_stop = val[1]

diff --git a/calphy/routines.py b/calphy/routines.py
@@ -31,6 +31,8 @@
 from calphy.errors import *
 import calphy.helpers as ph
 
+from calphy.liquid import Liquid
+from calphy.solid import Solid
 
 class MeltingTemp:
     """
@@ -79,7 +81,7 @@ def prepare_calcs(self):
         None 
         """
         self.calc.temperature = [int(self.tmin), int(self.tmax)]
-        self.calc['temperature_stop'] = int(self.tmax)
+        self.calc._temperature_stop = int(self.tmax)
         csol = copy.deepcopy(self.calc)
         clqd = copy.deepcopy(self.calc)