Main Page   Namespace List   Class Hierarchy   Alphabetical List   Compound List   File List   Compound Members   File Members  

GenerationReaction.cpp

Go to the documentation of this file.
00001 // GenerationReaction.cpp: implementation of the GenerationReaction class.
00002 //
00004 
00005 #include "GenerationReaction.h"
00006 
00008 // Construction/Destruction
00010 
00011 GenerationReaction::GenerationReaction(Chemical *Generator, Chemical *Product, RateConstant *k_g, std::string reactionName)
00012 :Reaction(reactionName)
00013 {
00014         // stoichiometry
00015         this->Generator = chemicals.size();
00016         chemicals.push_back(Generator);
00017         numberOfEachChemicalChangedByReaction.push_back(0);
00018 
00019         this->Product = chemicals.size();
00020         chemicals.push_back(Product);
00021         numberOfEachChemicalChangedByReaction.push_back(+1);
00022 
00023         // rates
00024         this->k_g = rateConstants.size();
00025         rateConstants.push_back(k_g);
00026 
00027         // put enough dummy chemicalJacobian elements on the vector 
00028         // - they are recomputed every time you ask for the chemicalJacobian
00029         chemicalJacobian.push_back(new JElement(-1,-1));
00030 
00031         this->SetTeXForm();
00032 }
00033 
00034 GenerationReaction::~GenerationReaction()
00035 {
00036 
00037 }
00038 
00039 double GenerationReaction::GetRate() const
00040 {
00041         return rateConstants[k_g]->GetValue() * chemicals[Generator]->GetAmount();
00042 }
00043 
00044 void GenerationReaction::SetTeXForm()
00045 {
00046         std::stringstream stream;
00047         // TeX form of the reaction
00048         stream << rateConstants[k_g]->GetTeXName().c_str();
00049         stream << "\\left [" << chemicals[Generator]->GetTeXName().c_str();
00050         stream << "\\right ]";
00051         // add a NULL
00052         //int namesize = (chemicals[Generator]->GetName()).length();
00053         //stream << (chemicals[Generator]->GetName())[namesize];
00054         stream << ends;
00055         // set the TeX string equal to what's in the stream
00056         m_sTeXForm = stream.str();
00057         // free up the string
00058 //      stream.rdbuf()->freeze(0);
00059 }
00060 
00061 std::vector<Reaction::JElement *> *GenerationReaction::GetChemicalJacobian()
00062 {
00063         chemicalJacobian[0]->SetWithRespectTo(chemicals[Generator]->GetChemicalNumber());
00064         chemicalJacobian[0]->SetJValue(rateConstants[k_g]->GetValue());
00065         
00066         return &chemicalJacobian;
00067 }

Generated on Mon Nov 3 09:37:51 2003 by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002