C++ CCompartment::getValueReference方法代码示例

int main()
{
  // initialize the backend library
  // since we are not interested in the arguments
  // that are passed to main, we pass 0 and NULL to
  // init
  CCopasiRootContainer::init(0, NULL);
  assert(CCopasiRootContainer::getRoot() != NULL);
  // create a new datamodel
  CCopasiDataModel* pDataModel = CCopasiRootContainer::addDatamodel();
  assert(CCopasiRootContainer::getDatamodelList()->size() == 1);
  // get the model from the datamodel
  CModel* pModel = pDataModel->getModel();
  assert(pModel != NULL);
  // set the units for the model
  // we want seconds as the time unit
  // microliter as the volume units
  // and nanomole as the substance units
  pModel->setTimeUnit(CModel::s);
  pModel->setVolumeUnit(CModel::microl);
  pModel->setQuantityUnit(CModel::nMol);

  // we have to keep a set of all the initial values that are changed during
  // the model building process
  // They are needed after the model has been built to make sure all initial
  // values are set to the correct initial value
  std::set<const CCopasiObject*> changedObjects;

  // create a compartment with the name cell and an initial volume of 5.0
  // microliter
  CCompartment* pCompartment = pModel->createCompartment("cell", 5.0);
  const CCopasiObject* pObject = pCompartment->getValueReference();
  assert(pObject != NULL);
  changedObjects.insert(pObject);
  assert(pCompartment != NULL);
  assert(pModel->getCompartments().size() == 1);
  // create a new metabolite with the name S and an inital
  // concentration of 10 nanomol
  // the metabolite belongs to the compartment we created and is is to be
  // fixed
  CMetab* pS = pModel->createMetabolite("S", pCompartment->getObjectName(), 10.0, CMetab::FIXED);
  pObject = pS->getInitialConcentrationReference();
  assert(pObject != NULL);
  changedObjects.insert(pObject);
  assert(pCompartment != NULL);
  assert(pS != NULL);
  assert(pModel->getMetabolites().size() == 1);
  // create a second metabolite called P with an initial
  // concentration of 0. This metabolite is to be changed by reactions
  CMetab* pP = pModel->createMetabolite("P", pCompartment->getObjectName(), 0.0, CMetab::REACTIONS);
  assert(pP != NULL);
  pObject = pP->getInitialConcentrationReference();
  assert(pObject != NULL);
  changedObjects.insert(pObject);
  assert(pModel->getMetabolites().size() == 2);
  // now we create a reaction
  CReaction* pReaction = pModel->createReaction("reaction");
  assert(pReaction != NULL);
  assert(pModel->getReactions().size() == 1);
  // reaction converts S to P
  // we can set these on the chemical equation of the reaction
  CChemEq* pChemEq = &pReaction->getChemEq();
  // S is a substrate with stoichiometry 1
  pChemEq->addMetabolite(pS->getKey(), 1.0, CChemEq::SUBSTRATE);
  // P is a product with stoichiometry 1
  pChemEq->addMetabolite(pP->getKey(), 1.0, CChemEq::PRODUCT);
  assert(pChemEq->getSubstrates().size() == 1);
  assert(pChemEq->getProducts().size() == 1);
  // this reaction is to be irreversible
  pReaction->setReversible(false);
  assert(pReaction->isReversible() == false);

  CModelValue* pMV = pModel->createModelValue("K", 42.0);
  // set the status to FIXED
  pMV->setStatus(CModelValue::FIXED);
  assert(pMV != NULL);
  pObject = pMV->getInitialValueReference();
  assert(pObject != NULL);
  changedObjects.insert(pObject);
  assert(pModel->getModelValues().size() == 1);

  // now we ned to set a kinetic law on the reaction
  // for this we create a user defined function
  CFunctionDB* pFunDB = CCopasiRootContainer::getFunctionList();
  assert(pFunDB != NULL);

  CKinFunction* pFunction = new CKinFunction("My Rate Law");

  pFunDB->add(pFunction, true);
  CFunction* pRateLaw = dynamic_cast<CFunction*>(pFunDB->findFunction("My Rate Law"));

  assert(pRateLaw != NULL);

  // now we create the formula for the function and set it on the function
  std::string formula = "(1-0.4/(EXPONENTIALE^(temp-37)))*0.00001448471257*1.4^(temp-37)*substrate";

  bool result = pFunction->setInfix(formula);
  assert(result == true);
  // make the function irreversible
  pFunction->setReversible(TriFalse);
//.........这里部分代码省略.........