fix tests and minor issue in energy balance fallback

tests/test_stream.py

@@ -37,8 +37,8 @@ def test_vlle():
     xl = s.imol['l'].sum() / total
     xL = s.imol['L'].sum() / total
     xg = s.imol['g'].sum() / total
-    assert_allclose(xl + xL, 0.7361640850059188, atol=0.05) # Convergence
-    assert_allclose(xg, 0.26383591499408116, atol=0.05)
+    assert_allclose(xl + xL, 0.6773951226773982, atol=0.05) # Convergence
+    assert_allclose(xg, 0.32260487732260174, atol=0.05)
     # Make sure past equilibrium conditions do not affect result of vlle
     s = tmo.Stream(None, Water=1, Ethanol=1, Octane=2, T=350)
     s.vle(T=350, P=101325)
@@ -47,8 +47,8 @@ def test_vlle():
     xl = s.imol['l'].sum() / total
     xL = s.imol['L'].sum() / total
     xg = s.imol['g'].sum() / total
-    assert_allclose(xl + xL, 0.7361640850059188, atol=0.05) # Convergence
-    assert_allclose(xg, 0.26383591499408116, atol=0.05)
+    assert_allclose(xl + xL, 0.6773951226773982, atol=0.05) # Convergence
+    assert_allclose(xg, 0.32260487732260174, atol=0.05)
 
     s = tmo.Stream(None, Water=1, Ethanol=1, Octane=2, vlle=True, T=300)
     assert set(s.phases) == set(['l', 'L']) # No gas phase

thermosteam/equilibrium/bubble_point.py

@@ -189,8 +189,8 @@ def solve_Ty(self, z, P):
         >>> chemicals = tmo.Chemicals(['Water', 'Ethanol'], cache=True)
         >>> tmo.settings.set_thermo(chemicals)
         >>> BP = tmo.equilibrium.BubblePoint(chemicals)
-        >>> BP.solve_Ty(z=np.array([0.6, 0.4]), P=101325)
-        (353.8284421715317, array([0.383, 0.617]))
+        >>> tmo.docround(BP.solve_Ty(z=np.array([0.6, 0.4]), P=101325))
+        (353.8284, array([0.383, 0.617]))
         
         """
         positives = z > 0.
@@ -245,7 +245,7 @@ def solve_Py(self, z, T):
         >>> tmo.settings.set_thermo(chemicals)
         >>> BP = tmo.equilibrium.BubblePoint(chemicals)
         >>> tmo.docround(BP.solve_Py(z=np.array([0.703, 0.297]), T=352.28))
-        (91592.7839, array([0.42, 0.58]))
+        (91592.781, array([0.42, 0.58]))
         
         """
         positives = z > 0.

thermosteam/equilibrium/vle.py

@@ -286,7 +286,7 @@ class VLE(Equilibrium, phases='lg'):
     H_hat_tol = 1e-6
     S_hat_tol = 1e-6
     V_tol = 1e-6
-    x_tol = 1e-9
+    x_tol = 1e-8
     y_tol = 1e-8
     default_method = 'fixed-point'
 

thermosteam/mixture/mixture.py

@@ -343,7 +343,7 @@ def solve_T_at_HP(self, phase, mol, H, T_guess, P):
                 lambda T: self.H(phase, mol, T, P) - H,
                 x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
             )
-            if abs(T - T_guess) < self.T_tol else T
+            if abs(T - T_guess) > self.T_tol else T
         )
 
     def xsolve_T_at_HP(self, phase_mol, H, T_guess, P):
@@ -357,7 +357,7 @@ def xsolve_T_at_HP(self, phase_mol, H, T_guess, P):
                 lambda T: self.xH(phase_mol, T, P) - H,
                 x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
             )
-            if abs(T - T_guess) < self.T_tol else T
+            if abs(T - T_guess) > self.T_tol else T
         )
 
     def solve_T_at_SP(self, phase, mol, S, T_guess, P):
@@ -370,7 +370,7 @@ def solve_T_at_SP(self, phase, mol, S, T_guess, P):
                 lambda T: self.S(phase, mol, T, P) - S,
                 x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
             )
-            if abs(T - T_guess) < self.T_tol else T
+            if abs(T - T_guess) > self.T_tol else T
         )
 
     def xsolve_T_at_SP(self, phase_mol, S, T_guess, P):
@@ -384,7 +384,7 @@ def xsolve_T_at_SP(self, phase_mol, S, T_guess, P):
                 lambda T: self.xS(phase_mol, T, P) - S,
                 x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
             )
-            if abs(T - T_guess) < self.T_tol else T
+            if abs(T - T_guess) > self.T_tol else T
         )
 
     def xCn(self, phase_mol, T, P=None):