From 96f9b05f8c45259b0d57ad976da6a2ce6f28d70b Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Thu, 6 Sep 2012 19:55:50 +0000
Subject: [PATCH] Added skeletal implementation of multiphase mixtures to new
 Python module

---
 interfaces/cython/cantera/__init__.py   |  1 +
 interfaces/cython/cantera/mixture.pxd   | 16 +++++++++++
 interfaces/cython/cantera/mixture.pyx   | 38 +++++++++++++++++++++++++
 interfaces/cython/cantera/substance.pxd |  1 +
 interfaces/cython/cantera/substance.pyx |  4 +++
 interfaces/cython/setup.py.in           |  1 +
 6 files changed, 61 insertions(+)
 create mode 100644 interfaces/cython/cantera/mixture.pxd
 create mode 100644 interfaces/cython/cantera/mixture.pyx

diff --git a/interfaces/cython/cantera/__init__.py b/interfaces/cython/cantera/__init__.py
index aeb237c7f..656ebae40 100644
--- a/interfaces/cython/cantera/__init__.py
+++ b/interfaces/cython/cantera/__init__.py
@@ -1,2 +1,3 @@
 from .solution import *
 from .constants import *
+from .mixture import *
diff --git a/interfaces/cython/cantera/mixture.pxd b/interfaces/cython/cantera/mixture.pxd
new file mode 100644
index 000000000..ace3dfa1a
--- /dev/null
+++ b/interfaces/cython/cantera/mixture.pxd
@@ -0,0 +1,16 @@
+from solution cimport *
+
+cdef extern from "cantera/equil/MultiPhase.h" namespace "Cantera":
+    cdef cppclass CxxMultiPhase "Cantera::MultiPhase":
+        CxxMultiPhase()
+        void addPhase(CxxThermoPhase*, double) except +
+        void init() except +
+        double nSpecies()
+        void setTemperature(double)
+        double temperature()
+        void setPressure(double)
+        double pressure()
+
+cdef class Mixture:
+    cdef CxxMultiPhase* mix
+    cdef list _phases
diff --git a/interfaces/cython/cantera/mixture.pyx b/interfaces/cython/cantera/mixture.pyx
new file mode 100644
index 000000000..6cab45f08
--- /dev/null
+++ b/interfaces/cython/cantera/mixture.pyx
@@ -0,0 +1,38 @@
+from mixture cimport *
+
+cdef class Mixture:
+    def __cinit__(self, phases):
+        self.mix = new CxxMultiPhase()
+        self._phases = []
+
+        cdef _SolutionBase phase
+        for phase,moles in phases:
+            self.mix.addPhase(phase.thermo, moles)
+            self._phases.append(phase)
+
+        self.mix.init()
+        if self._phases:
+            self.pressure = self._phases[0].pressure
+            self.temperature = self._phases[0].temperature
+
+    def __dealloc__(self):
+        del self.mix
+
+    def phase(self, n):
+        return self._phases[n]
+
+    property nSpecies:
+        def __get__(self):
+            return self.mix.nSpecies()
+
+    property temperature:
+        def __get__(self):
+            return self.mix.temperature()
+        def __set__(self, T):
+            self.mix.setTemperature(T)
+
+    property pressure:
+        def __get__(self):
+            return self.mix.pressure()
+        def __set__(self, P):
+            self.mix.setPressure(P)
diff --git a/interfaces/cython/cantera/substance.pxd b/interfaces/cython/cantera/substance.pxd
index 0270e9bf4..e92bbe904 100644
--- a/interfaces/cython/cantera/substance.pxd
+++ b/interfaces/cython/cantera/substance.pxd
@@ -5,6 +5,7 @@ cdef extern from "cantera/thermo/ThermoPhase.h" namespace "Cantera":
     cdef cppclass CxxThermoPhase "Cantera::ThermoPhase":
         CxxThermoPhase()
         double pressure() except +
+        double temperature() except +
         void setMoleFractions(double*) except +
         void getMassFractions(double*) except +
         int nSpecies()
diff --git a/interfaces/cython/cantera/substance.pyx b/interfaces/cython/cantera/substance.pyx
index 69baf0f4b..eb5a5ef99 100644
--- a/interfaces/cython/cantera/substance.pyx
+++ b/interfaces/cython/cantera/substance.pyx
@@ -54,6 +54,10 @@ cdef class ThermoPhase(_SolutionBase):
         def __get__(self):
             return self.thermo.pressure()
 
+    property temperature:
+        def __get__(self):
+            return self.thermo.temperature()
+
     def setMoleFractions(self, X):
         if len(X) != self.nSpecies:
             raise ValueError("Mole fraction array has incorrect length")
diff --git a/interfaces/cython/setup.py.in b/interfaces/cython/setup.py.in
index 15c843c8b..954b844f5 100644
--- a/interfaces/cython/setup.py.in
+++ b/interfaces/cython/setup.py.in
@@ -21,6 +21,7 @@ def addExtension(name):
                           extra_link_args=@py_extra_link_args@))
 
 addExtension('solution')
+addExtension('mixture')
 addExtension('utils')
 addExtension('constants')