From a8f4c7609717e3053b51bed96529e19e3b93ee7f Mon Sep 17 00:00:00 2001
From: Ray Speth <speth@mit.edu>
Date: Sat, 27 Sep 2014 00:08:54 +0000
Subject: [PATCH] [Thermo] Check to make sure thermo data is installed for all
 species

---
 include/cantera/thermo/SimpleThermo.h     |  1 +
 include/cantera/thermo/SpeciesThermo.h    |  9 +++++++++
 include/cantera/thermo/SpeciesThermoMgr.h |  1 +
 src/thermo/GeneralSpeciesThermo.cpp       |  2 ++
 src/thermo/NasaThermo.cpp                 |  1 +
 src/thermo/ShomateThermo.h                |  2 +-
 src/thermo/SpeciesThermo.cpp              | 24 +++++++++++++++++++++++
 src/thermo/ThermoPhase.cpp                |  5 +++++
 8 files changed, 44 insertions(+), 1 deletion(-)
 create mode 100644 src/thermo/SpeciesThermo.cpp

diff --git a/include/cantera/thermo/SimpleThermo.h b/include/cantera/thermo/SimpleThermo.h
index 6f6419cee..7799c8123 100644
--- a/include/cantera/thermo/SimpleThermo.h
+++ b/include/cantera/thermo/SimpleThermo.h
@@ -166,6 +166,7 @@ public:
             throw CanteraError("install()", "Species have different reference pressures");
         }
         m_p0 = refPressure_;
+        markInstalled(index);
     }
 
     virtual void install_STIT(SpeciesThermoInterpType* stit_ptr) {
diff --git a/include/cantera/thermo/SpeciesThermo.h b/include/cantera/thermo/SpeciesThermo.h
index 4a1a99d0e..d84a6ae1a 100644
--- a/include/cantera/thermo/SpeciesThermo.h
+++ b/include/cantera/thermo/SpeciesThermo.h
@@ -331,6 +331,15 @@ public:
      */
     virtual void modifyOneHf298(const size_t k, const doublereal Hf298New) = 0;
 
+    //! Check if data for all species (0 through nSpecies-1) has been installed.
+    bool ready(size_t nSpecies);
+
+protected:
+    //! Mark species *k* as having its thermodynamic data installed
+    void markInstalled(size_t k);
+
+private:
+    std::vector<bool> m_installed; // indicates if data for species has been installed
 };
 //@}
 }
diff --git a/include/cantera/thermo/SpeciesThermoMgr.h b/include/cantera/thermo/SpeciesThermoMgr.h
index 456101e53..fae145e26 100644
--- a/include/cantera/thermo/SpeciesThermoMgr.h
+++ b/include/cantera/thermo/SpeciesThermoMgr.h
@@ -174,6 +174,7 @@ SpeciesThermoDuo<T1, T2>::install(const std::string& name, size_t sp, int type,
     } else {
         throw UnknownSpeciesThermo("SpeciesThermoDuo:install",type);
     }
+    markInstalled(sp);
 }
 
 template<class T1, class T2>
diff --git a/src/thermo/GeneralSpeciesThermo.cpp b/src/thermo/GeneralSpeciesThermo.cpp
index e0d9d975d..fdc78f895 100644
--- a/src/thermo/GeneralSpeciesThermo.cpp
+++ b/src/thermo/GeneralSpeciesThermo.cpp
@@ -165,6 +165,7 @@ void GeneralSpeciesThermo::install(const std::string& name,
     }
     m_tlow_max = max(minTemp_, m_tlow_max);
     m_thigh_min = min(maxTemp_, m_thigh_min);
+    markInstalled(index);
 }
 
 void GeneralSpeciesThermo::install_STIT(SpeciesThermoInterpType* stit_ptr)
@@ -194,6 +195,7 @@ void GeneralSpeciesThermo::install_STIT(SpeciesThermoInterpType* stit_ptr)
      */
     m_tlow_max = max(stit_ptr->minTemp(), m_tlow_max);
     m_thigh_min = min(stit_ptr->maxTemp(), m_thigh_min);
+    markInstalled(index);
 }
 
 void GeneralSpeciesThermo::installPDSShandler(size_t k, PDSS* PDSS_ptr,
diff --git a/src/thermo/NasaThermo.cpp b/src/thermo/NasaThermo.cpp
index 75bfe1492..8bd3841d4 100644
--- a/src/thermo/NasaThermo.cpp
+++ b/src/thermo/NasaThermo.cpp
@@ -108,6 +108,7 @@ void NasaThermo::install(const std::string& name, size_t index, int type,
         throw CanteraError("install()", "species have different reference pressures");
     }
     m_p0 = ref_pressure;
+    markInstalled(index);
 }
 
 void NasaThermo::update_one(size_t k, doublereal t, doublereal* cp_R,
diff --git a/src/thermo/ShomateThermo.h b/src/thermo/ShomateThermo.h
index f1bd317be..78c11f3d0 100644
--- a/src/thermo/ShomateThermo.h
+++ b/src/thermo/ShomateThermo.h
@@ -191,7 +191,7 @@ public:
             throw CanteraError("install()", "Species have different reference pressures");
         }
         m_p0 = refPressure;
-
+        markInstalled(index);
     }
 
     virtual void install_STIT(SpeciesThermoInterpType* stit_ptr) {
diff --git a/src/thermo/SpeciesThermo.cpp b/src/thermo/SpeciesThermo.cpp
new file mode 100644
index 000000000..7754403ce
--- /dev/null
+++ b/src/thermo/SpeciesThermo.cpp
@@ -0,0 +1,24 @@
+#include "cantera/thermo/SpeciesThermo.h"
+
+namespace Cantera {
+
+bool SpeciesThermo::ready(size_t nSpecies) {
+    if (m_installed.size() < nSpecies) {
+        return false;
+    }
+    for (size_t k = 0; k < nSpecies; k++) {
+        if (!m_installed[k]) {
+            return false;
+        }
+    }
+    return true;
+}
+
+void SpeciesThermo::markInstalled(size_t k) {
+    if (k >= m_installed.size()) {
+        m_installed.resize(k+1, false);
+    }
+    m_installed[k] = true;
+}
+
+}
diff --git a/src/thermo/ThermoPhase.cpp b/src/thermo/ThermoPhase.cpp
index 18995761e..4f318f72e 100644
--- a/src/thermo/ThermoPhase.cpp
+++ b/src/thermo/ThermoPhase.cpp
@@ -677,6 +677,11 @@ void ThermoPhase::initThermo()
         throw CanteraError("ThermoPhase::initThermo()",
                            "Number of species is equal to zero");
     }
+    // Check to see that all of the species thermo objects have been initialized
+    if (!m_spthermo->ready(m_kk)) {
+        throw CanteraError("ThermoPhase::initThermo()",
+                           "Missing species thermo data");
+    }
     xMol_Ref.resize(m_kk, 0.0);
 }
 void ThermoPhase::installSlavePhases(Cantera::XML_Node* phaseNode)