all around improvements

BioSTEAMDevelopmentGroup · Oct 14, 2024 · 7b7a8ea · 7b7a8ea
1 parent 19de1d8
commit 7b7a8ea
Show file tree

Hide file tree

Showing 3 changed files with 30 additions and 14 deletions.
diff --git a/thermosteam/mixture/mixture.py b/thermosteam/mixture/mixture.py
@@ -213,10 +213,12 @@ def solve_T_at_HP(self, phase, mol, H, T_guess, P):
         self._load_free_energy_args(phase, mol, T_guess, P)
         try:
             args = (H, self.H, phase, mol, P, self.Cn, [0, None])
-            T_guess = flx.aitken(iter_T_at_HP, T_guess, self.T_tol, args, self.maxiter, checkiter=False)
+            T = iter_T_at_HP(T_guess, *args)
+            if abs(T - T_guess) < self.T_tol: return T
+            T_guess = flx.aitken(iter_T_at_HP, T, self.T_tol, args, self.maxiter, checkiter=False)
             T = iter_T_at_HP(T_guess, *args)
             return (
-                flx.aitken_secant(
+                flx.secant(
                     lambda T: self.H(phase, mol, T, P) - H,
                     x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
                 )
@@ -231,12 +233,14 @@ def xsolve_T_at_HP(self, phase_mol, H, T_guess, P):
         self._load_xfree_energy_args(phase_mol, T_guess, P)
         try:
             args = (H, self.xH, phase_mol, P, self.xCn, [0, None])
-            T_guess = flx.aitken(xiter_T_at_HP, T_guess, self.T_tol, args, self.maxiter, checkiter=False)
+            T = xiter_T_at_HP(T_guess, *args)
+            if abs(T - T_guess) < self.T_tol: return T
+            T_guess = flx.aitken(xiter_T_at_HP, T, self.T_tol, args, self.maxiter, checkiter=False)
             T = xiter_T_at_HP(T_guess, *args)
             return (
-                flx.aitken_secant(
+                flx.secant(
                     lambda T: self.xH(phase_mol, T, P) - H,
-                    x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
+                    x0=T_guess, x1=T, xtol=self.T_tol, ytol=0., checkiter=False
                 )
                 if abs(T - T_guess) > self.T_tol else T
             )
@@ -248,10 +252,12 @@ def solve_T_at_SP(self, phase, mol, S, T_guess, P):
         self._load_free_energy_args(phase, mol, T_guess, P)
         try:
             args = (S, self.S, phase, mol, P, self.Cn, [0, None])
-            T_guess = flx.aitken(iter_T_at_SP, T_guess, self.T_tol, args, self.maxiter, checkiter=False)
+            T = iter_T_at_SP(T_guess, *args)
+            if abs(T - T_guess) < self.T_tol: return T
+            T_guess = flx.aitken(iter_T_at_SP, T, self.T_tol, args, self.maxiter, checkiter=False)
             T = iter_T_at_SP(T_guess, *args)
             return (
-                flx.aitken_secant(
+                flx.secant(
                     lambda T: self.S(phase, mol, T, P) - S,
                     x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
                 )
@@ -266,10 +272,12 @@ def xsolve_T_at_SP(self, phase_mol, S, T_guess, P):
         self._load_xfree_energy_args(phase_mol, T_guess, P)
         try:
             args = (S, self.xS, phase_mol, P, self.xCn, [0, None])
-            T_guess = flx.aitken(xiter_T_at_SP, T_guess, self.T_tol, args, self.maxiter, checkiter=False)
+            T = xiter_T_at_SP(T_guess, *args)
+            if abs(T - T_guess) < self.T_tol: return T
+            T_guess = flx.aitken(xiter_T_at_SP, T, self.T_tol, args, self.maxiter, checkiter=False)
             T = xiter_T_at_SP(T_guess, *args)
             return (
-                flx.aitken_secant(
+                flx.secant(
                     lambda T: self.xS(phase_mol, T, P) - S,
                     x0=T_guess, x1=T, xtol=self.T_tol, ytol=0.
                 )
@@ -458,10 +466,7 @@ def from_chemicals(cls, chemicals,
         """
         isa = isinstance
         if isa(chemicals, CompiledChemicals):
-            try:
-                MWs = chemicals.MW
-            except:
-                breakpoint()
+            MWs = chemicals.MW
             chemicals = chemicals.tuple
         else:
             chemicals = [(i if isa(i, Chemical) else Chemical(i, cache=cache)) for i in chemicals]

diff --git a/thermosteam/network.py b/thermosteam/network.py
@@ -430,7 +430,15 @@ def replace(self, stream, other_stream):
         self[index] = other_stream
 
     def index(self, stream):
-        return self._streams.index(stream)
+        try:
+            return self._streams.index(stream)
+        except Exception as e:
+            imol = stream._imol
+            for n, i in enumerate(self._streams):
+                if i and i._imol is imol:
+                    return n
+            else:
+                raise e from None
 
     def pop(self, index):
         streams = self._streams

diff --git a/thermosteam/thermo/tp_dependent_property.py b/thermosteam/thermo/tp_dependent_property.py
@@ -38,6 +38,8 @@
 
 # Remove cache from call
 def __call__(self, T, P):
+    if self.hook: 
+        return self.hook(T, P)
     if self._method_P:
         return self.TP_dependent_property(T, P)
     else:
@@ -49,6 +51,7 @@ def __call__(self, T, P):
 def has_method(self):
     return bool(self._method or self._method_P and self._method_P != NEGLECT_P)
 
+TPDependentProperty.hook = None
 TPDependentProperty.__bool__ = has_method
 
 # Handling methods