bool CChemEq::addMetabolite(const std::string & key, const C_FLOAT64 multiplicity, const MetaboliteRole & role)
{
CChemEqElement element;
element.setMetabolite(key);
element.setMultiplicity(multiplicity);
switch (role)
{
case CChemEq::SUBSTRATE:
addElement(mSubstrates, element);
addElement(mBalances, element, CChemEq::SUBSTRATE);
break;
case CChemEq::PRODUCT:
addElement(mProducts, element);
addElement(mBalances, element);
break;
case CChemEq::MODIFIER:
addElement(mModifiers, element);
break;
default:
fatalError();
break;
}
return true;
}
void CChemEq::addElement(CCopasiVector < CChemEqElement > & structure,
const CChemEqElement & element,
CChemEq::MetaboliteRole role)
{
unsigned C_INT32 i;
std::string key = element.getMetaboliteKey();
if (key == "")
return; // don�t add empty element
for (i = 0; i < structure.size(); i++)
if (key == structure[i]->getMetaboliteKey())
break;
if (i >= structure.size())
{
CChemEqElement * Element = new CChemEqElement(element);
if (role == CChemEq::SUBSTRATE)
Element->setMultiplicity(- Element->getMultiplicity());
structure.add(Element, true);
}
else if (role == CChemEq::SUBSTRATE)
structure[i]->addToMultiplicity(- element.getMultiplicity());
else
structure[i]->addToMultiplicity(element.getMultiplicity());
}