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Chemical.cpp

Go to the documentation of this file.

// Chemical.cpp: implementation of the Chemical class.
//

#ifdef _WINDOWS
#include "stdafx.h"
#endif

#include "Chemical.h"
#include <vector>

// Construction/Destruction

Chemical::Chemical(int chemicalNumber, double amount, std::string name)
{
        this->chemicalNumber = chemicalNumber;
        SetAmount(amount);
        initialAmount = amount;
        if(initialAmount > 0.0 )
        {
                errorInInitialAmount = initialAmount;
        }
        else
        {       
                errorInInitialAmount = 1.0;
        }
        this->name = name;
        this->SetTeXName();
}

Chemical::Chemical(int chemicalNumber, double amount, double errorInInitialAmount, std::string name)
{
        this->chemicalNumber = chemicalNumber;
        SetAmount(amount);
        initialAmount = amount;
        this->errorInInitialAmount = errorInInitialAmount;
        this->name = name;
        this->SetTeXName();
}

Chemical::Chemical()
{

}

Chemical::~Chemical()
{

}

double Chemical::GetAmount() const
{
        return amount;
}

double Chemical::GetInitialAmount() const
{
        return initialAmount;
}

double Chemical::GetErrorInInitialAmount() const
{
        return errorInInitialAmount;
}

void Chemical::SetInitialAmount(double initialAmount)
{
        this->initialAmount = initialAmount;
}

void Chemical::SetErrorInInitialAmount(double errorInInitialAmount)
{
        this->errorInInitialAmount = errorInInitialAmount;
}

const std::vector<Reaction *> *Chemical::GetReactions() const
{
        return &reactions;
}

void Chemical::IncrementAmount(double change)
{
        amount += change;
}

void Chemical::SetAmount(double amount)
{
        this->amount = amount;
}

void Chemical::Reset()
{
        SetAmount(initialAmount);
}

std::string Chemical::GetName() const
{
        return name;
}

int Chemical::GetChemicalNumber()
{
        return chemicalNumber;
}

void Chemical::SetTeXName()
{
        // parse the name string into a TeX string
    std::ostringstream stream;
        //strstream stream;
        // make sure name does not appear in italics
        stream << "{\\mathrm{";
        // write remaining characters into name array
        for(int i = 0; i < name.size(); i++)
        {
                stream << name[i];
        }
        // now close the subscript bracket, along with a null character
        stream << "}}" << ends;
        // set the TeX string equal to what's in the stream
        m_sTeXName = stream.str();
        // allow deletion of the stream
//      stream.rdbuf()->freeze(0);
}

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