From 80f2b8804462b895732135c9852595c5d6e8f79b Mon Sep 17 00:00:00 2001
From: Harry Moffat <hkmoffa@sandia.gov>
Date: Wed, 23 Jan 2008 01:18:35 +0000
Subject: [PATCH] Incremental update - cleaning up the interface

---
 Cantera/src/equil/vcs_MultiPhaseEquil.cpp | 22 ++++++++++++++------
 Cantera/src/equil/vcs_MultiPhaseEquil.h   | 25 +++++++++++++++--------
 2 files changed, 32 insertions(+), 15 deletions(-)

diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp
index 33e39dce7..4d4635505 100644
--- a/Cantera/src/equil/vcs_MultiPhaseEquil.cpp
+++ b/Cantera/src/equil/vcs_MultiPhaseEquil.cpp
@@ -1621,14 +1621,18 @@ namespace VCSnonideal {
 
   // This routine hasn't been checked yet
   void vcs_MultiPhaseEquil::getStoichVector(index_t rxn, Cantera::vector_fp& nu) {
-    index_t k;
-    nu.resize(m_nsp, 0.0);
+    int k;
+    int nsp = m_vsolvePtr->m_numSpeciesTot;
+    nu.resize(nsp, 0.0);
+    for (int i = 0; i < nsp; i++) {
+      nu[i] = 0.0;
+    }
     int nc = numComponents();
     const DoubleStarStar &scMatrix = m_vsolvePtr->sc;
     const  std::vector<int> indSpecies =  m_vsolvePtr->ind;
-    if (rxn > m_nsp - nc) return;
-    for (k = 0; k < m_nsp; k++) {
-      int j = indSpecies[j];
+    if ((int) rxn > nsp - nc) return;
+    for (k = 0; k < nsp; k++) {
+      int j = indSpecies[k];
       nu[j] = scMatrix[rxn][k];
     }
   }
@@ -1648,6 +1652,12 @@ namespace VCSnonideal {
     }
     return nec;
   }
+ 
+
+  int vcs_MultiPhaseEquil::component(int m) const {
+    int nc = numComponents();
+    if (m < nc) return m_vsolvePtr->ind[m]; 
+    else return -1;
+  }
 
-  
 }
diff --git a/Cantera/src/equil/vcs_MultiPhaseEquil.h b/Cantera/src/equil/vcs_MultiPhaseEquil.h
index 2634c1830..eb41cb803 100644
--- a/Cantera/src/equil/vcs_MultiPhaseEquil.h
+++ b/Cantera/src/equil/vcs_MultiPhaseEquil.h
@@ -1,5 +1,5 @@
 /**
- *  @file  vcs_MultiPhase.h
+ *  @file  vcs_MultiPhaseEquil.h
  *  Interface class for the vcsnonlinear solver
  */
 
@@ -237,15 +237,22 @@ namespace VCSnonideal {
     //! Destructor for the class
     virtual ~vcs_MultiPhaseEquil();
 
-    int constituent(index_t m) { 
-      if (m < m_nel) return m_order[m]; 
-      else return -1;
-    }
+    //! Return the index of the ith component
+    /*!
+     *  Returns the index of the ith component in the equilibrium 
+     *  calculation. The index refers to the ordering of the species
+     *  in the MultiPhase object.
+     */
+    int component(int m) const ; 
 
-    //! Get the stoichiometric matrix for a single reaction index
+    //! Get the stoichiometric reaction matrix for a single reaction index
     /*!
      * This returns a stoichiometric reaction matrix for a single
-     * formation reaction.
+     * formation reaction for a noncomponent species.
+     *
+     *
+     * @param rxn Reaction number.
+     * @param nu  Vector of coefficients for the formation reaction.
      */
     void getStoichVector(index_t rxn, Cantera::vector_fp& nu);
 
@@ -374,10 +381,10 @@ namespace VCSnonideal {
 
     //!  Number of elements in the combined element object describing all of the
     //!  phases.
-    index_t m_nel;
+    //index_t m_nel;
 
     //! Number of species in the combined multiphase object
-    index_t m_nsp;
+    //index_t m_nsp;
 
     //!  Vector that takes into account of the current sorting of the species
     /*!