bool CQModelValue::enterProtected()
{
mpModelValue = NULL;
if (mObjectCNToCopy != "")
{
CObjectInterface::ContainerList List;
List.push_back(mpDataModel);
// This will check the current data model and the root container for the object;
mpModelValue = dynamic_cast<CModelValue *>(const_cast< CDataObject * >(CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(List, mObjectCNToCopy))));
mObjectCNToCopy.clear();
}
else
{
mpModelValue = dynamic_cast<CModelValue *>(mpObject);
}
if (!mpModelValue)
{
mpListView->switchToOtherWidget(ListViews::WidgetType::GlobalQuantities, std::string());
return false;
}
load();
mpModelValue = dynamic_cast<CModelValue *>(mpObject);
return true;
}
// virtual
bool CMoietiesTask::process(const bool & /* useInitialValues */)
{
bool success = true;
output(COutputInterface::BEFORE);
success = static_cast< CMoietiesMethod * >(mpMethod)->process();
// The call to process may modify some object pointers. We therefore
// have to recompile the output.
if (mpOutputHandler != NULL)
{
CObjectInterface::ContainerList ListOfContainer;
ListOfContainer.push_back(this);
ListOfContainer.push_back(mpContainer);
size_t Size = CCopasiMessage::size();
mpOutputHandler->compile(ListOfContainer);
// Remove error messages created by setExpression as this may fail
// due to incomplete model specification at this time.
while (CCopasiMessage::size() > Size)
CCopasiMessage::getLastMessage();
}
output(COutputInterface::DURING);
output(COutputInterface::AFTER);
return success;
}
C_FLOAT64 CExperimentObjectMap::CDataColumn::getDefaultScale() const
{
if (mpObjectCN == NULL)
return std::numeric_limits<C_FLOAT64>::quiet_NaN();
CCopasiParameterGroup *pGroup =
dynamic_cast< CCopasiParameterGroup * >(getObjectParent());
if (pGroup == NULL)
return std::numeric_limits<C_FLOAT64>::quiet_NaN();
const CExperiment *pExperiment =
dynamic_cast<const CExperiment * >(pGroup->getObjectParent());
if (pExperiment == NULL)
return std::numeric_limits<C_FLOAT64>::quiet_NaN();
CObjectInterface::ContainerList ListOfContainer;
ListOfContainer.push_back(getObjectDataModel());
const CCopasiObject * pObject = CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(ListOfContainer, *mpObjectCN));
if (pObject == NULL)
return std::numeric_limits<C_FLOAT64>::quiet_NaN();
return pExperiment->getDefaultScale(pObject);
}
bool CEvent::setPriorityExpressionPtr(CExpression* pExpression)
{
if (pExpression == mpPriorityExpression) return true;
if (pExpression == NULL) return false;
if (mpModel != NULL)
{
mpModel->setCompileFlag(true);
}
CExpression * pOld = mpPriorityExpression;
mpPriorityExpression = pExpression;
mpPriorityExpression->setObjectName("PriorityExpression");
add(mpPriorityExpression, true);
CObjectInterface::ContainerList listOfContainer;
listOfContainer.push_back(mpModel);
if (mpPriorityExpression->compile(listOfContainer))
{
pdelete(pOld);
return true;
}
// If compile fails we do not take ownership
// and we remove the object from the container
remove(mpPriorityExpression);
mpPriorityExpression->setObjectParent(NULL);
mpPriorityExpression = pOld;
return false;
}
void test000052::test_bug988()
{
CDataModel* pDataModel = pCOPASIDATAMODEL;
CPPUNIT_ASSERT(pDataModel->importSBMLFromString(MODEL_STRING));
CModel* pModel = pDataModel->getModel();
CPPUNIT_ASSERT(pModel != NULL);
CPPUNIT_ASSERT(pModel->getQuantityUnitEnum() == CUnit::mMol);
CPPUNIT_ASSERT(pModel->getVolumeUnitEnum() == CUnit::ml);
CPPUNIT_ASSERT(pModel->getTimeUnitEnum() == CUnit::s);
CPPUNIT_ASSERT(pModel->getCompartments().size() == 1);
const CCompartment* pCompartment = pModel->getCompartments()[0];
CPPUNIT_ASSERT(pCompartment != NULL);
CPPUNIT_ASSERT(pCompartment->getStatus() == CModelEntity::Status::FIXED);
CPPUNIT_ASSERT(pModel->getMetabolites().size() == 1);
CMetab* pA = pModel->getMetabolites()[0];
CPPUNIT_ASSERT(pA != NULL);
CPPUNIT_ASSERT(pA->getStatus() == CModelEntity::Status::ASSIGNMENT);
const CExpression* pExpr = pA->getExpressionPtr();
// check the expression
const CEvaluationNode* pNode = pExpr->getRoot();
CPPUNIT_ASSERT(pNode != NULL);
const CEvaluationNodeChoice* pChoiceNode = dynamic_cast<const CEvaluationNodeChoice*>(pNode);
CPPUNIT_ASSERT(pChoiceNode != NULL);
pNode = dynamic_cast<const CEvaluationNode*>(pChoiceNode->getChild());
CPPUNIT_ASSERT(pNode != NULL);
const CEvaluationNodeLogical* pLogicalNode = dynamic_cast<const CEvaluationNodeLogical*>(pNode);
CPPUNIT_ASSERT(pLogicalNode != NULL);
CPPUNIT_ASSERT((pLogicalNode->subType()) == CEvaluationNode::SubType::LT);
const CEvaluationNodeObject* pObjectNode = dynamic_cast<const CEvaluationNodeObject*>(pLogicalNode->getChild());
CPPUNIT_ASSERT(pObjectNode != NULL);
CCommonName objectCN = pObjectNode->getObjectCN();
CPPUNIT_ASSERT(!objectCN.empty());
CObjectInterface::ContainerList listOfContainers;
listOfContainers.push_back(pModel);
const CDataObject* pObject = CObjectInterface::DataModel(pCOPASIDATAMODEL->getObjectFromCN(listOfContainers, objectCN));
CPPUNIT_ASSERT(pObject != NULL);
CPPUNIT_ASSERT(pObject->hasFlag(CDataObject::Reference) == true);
CPPUNIT_ASSERT(pObject->getObjectName() == std::string("Time"));
CPPUNIT_ASSERT(pObject->getObjectParent() == pModel);
const CEvaluationNodeNumber* pNumberNode = dynamic_cast<const CEvaluationNodeNumber*>(pObjectNode->getSibling());
CPPUNIT_ASSERT(pNumberNode != NULL);
CPPUNIT_ASSERT((pNumberNode->subType()) == CEvaluationNode::SubType::DOUBLE);
CPPUNIT_ASSERT(fabs((pNumberNode->getValue() - 5.0) / 5.0) < 1e-3);
pNumberNode = dynamic_cast<const CEvaluationNodeNumber*>(pLogicalNode->getSibling());
CPPUNIT_ASSERT(pNumberNode != NULL);
CPPUNIT_ASSERT((pNumberNode->subType()) == CEvaluationNode::SubType::DOUBLE);
CPPUNIT_ASSERT(pNumberNode->getValue() < 1e-3);
pNumberNode = dynamic_cast<const CEvaluationNodeNumber*>(pNumberNode->getSibling());
CPPUNIT_ASSERT(pNumberNode != NULL);
CPPUNIT_ASSERT((pNumberNode->subType()) == CEvaluationNode::SubType::DOUBLE);
CPPUNIT_ASSERT(fabs((pNumberNode->getValue() - 10.0) / 10.0) < 1e-3);
CPPUNIT_ASSERT(pModel->getModelValues().size() == 0);
CPPUNIT_ASSERT(pModel->getReactions().size() == 0);
}
bool CMetab::compileInitialValueDependencies()
{
bool success = true;
std::set<const CCopasiObject *> Dependencies;
CObjectInterface::ContainerList listOfContainer;
listOfContainer.push_back(getObjectAncestor("Model"));
// If we have an assignment or a valid initial expression we must update both
if (getStatus() == ASSIGNMENT ||
(mpInitialExpression != NULL &&
mpInitialExpression->getInfix() != ""))
{
// Initial concentration
success &= mpInitialExpression->compile(listOfContainer);
mpIConcReference->setDirectDependencies(mpInitialExpression->getDirectDependencies());
// Initial particle number
Dependencies.insert(mpIConcReference);
if (mpCompartment)
Dependencies.insert(mpCompartment->getInitialValueReference());
mpIValueReference->setDirectDependencies(Dependencies);
Dependencies.clear();
// If we have a valid initial expression, we update the initial value.
// In case the expression is constant this suffices others are updated lated again.
if (mpInitialExpression->isUsable())
mIConc = mpInitialExpression->calcValue();
return success;
}
// The context sensitivity is handle in the virtual method getDirectDependencies();
// Initial particle number
Dependencies.insert(mpIConcReference);
if (mpCompartment)
Dependencies.insert(mpCompartment->getInitialValueReference());
mpIValueReference->setDirectDependencies(Dependencies);
Dependencies.clear();
// Initial concentration
Dependencies.insert(mpIValueReference);
if (mpCompartment)
Dependencies.insert(mpCompartment->getInitialValueReference());
mpIConcReference->setDirectDependencies(Dependencies);
return success;
}
void CQParameterGroupView::modifySelectCNs(CCopasiParameterGroup & group, const CCopasiParameter & cnTemplate)
{
// OpenSelectionDialog
std::vector< const CDataObject * > Selection;
CObjectInterface::ContainerList ContainerList;
ContainerList.push_back(group.getObjectDataModel());
// Create the current selection
CCopasiParameterGroup::elements::iterator it = group.beginIndex();
CCopasiParameterGroup::elements::iterator end = group.endIndex();
for (; it != end; ++it)
{
const CDataObject * pObject = CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(ContainerList, (*it)->getValue< CCommonName >()));
if (pObject != NULL)
{
Selection.push_back(pObject);
}
}
CModel * pModel = group.getObjectDataModel()->getModel();
std::vector<const CDataObject * > ValidObjects;
const std::vector< std::pair < CCommonName, CCommonName > > & ValidValues = cnTemplate.getValidValues< CCommonName >();
std::vector< std::pair < CCommonName, CCommonName > >::const_iterator itValidValues = ValidValues.begin();
std::vector< std::pair < CCommonName, CCommonName > >::const_iterator endValidValues = ValidValues.end();
for (; itValidValues != endValidValues; ++itValidValues)
{
CObjectLists::ListType ListType = toEnum(itValidValues->first, CObjectLists::ListTypeName, CObjectLists::EMPTY_LIST);
std::vector<const CDataObject * > Tmp = CObjectLists::getListOfConstObjects(ListType, pModel);
ValidObjects.insert(ValidObjects.end(), Tmp.begin(), Tmp.end());
}
std::vector< const CDataObject * > NewSelection = CCopasiSelectionDialog::getObjectVector(this, ValidObjects, &Selection);
// Modify group parameters;
mpParameterGroupDM->beginResetModel();
group.clear();
std::vector< const CDataObject * >::const_iterator itNew = NewSelection.begin();
std::vector< const CDataObject * >::const_iterator endNew = NewSelection.end();
for (; itNew != endNew; ++itNew)
{
group.addParameter("Reaction", CCopasiParameter::Type::CN, (*itNew)->getCN());
}
mpParameterGroupDM->endResetModel();
}
bool CopasiWidget::update(ListViews::ObjectType objectType, ListViews::Action action, const CCommonName & cn)
{
// Assure that the object still exists
CObjectInterface::ContainerList List;
List.push_back(mpDataModel);
// This will check the current data model and the root container for the object;
mpObject = const_cast< CDataObject * >(CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(List, mObjectCN)));
bool success = updateProtected(objectType, action, cn != mOldCN ? cn : mObjectCN);
mOldCN = mObjectCN;
return success;
}
// virtual
void CModelParameterReactionParameter::compile()
{
CModelParameter::compile();
mGlobalQuantityCN = std::string();
std::string Infix = getInitialExpression();
if (Infix.length() > 2)
{
// Infix: <CN,Reference=InitialValue> or <CN,Reference=Value>
CCopasiObjectName Tmp = Infix.substr(1, Infix.length() - 2);
std::string Separator = "";
for (; Tmp != ""; Tmp = Tmp.getRemainder())
{
CCopasiObjectName Primary = Tmp.getPrimary();
if (Primary.getObjectType() == "Reference")
{
break;
}
mGlobalQuantityCN += Separator + Primary;
Separator = ",";
}
setSimulationType(CModelEntity::ASSIGNMENT);
}
else
{
setSimulationType(CModelEntity::FIXED);
}
mpGlobalQuantity = this->getSet()->getModelParameter(mGlobalQuantityCN);
if (mpGlobalQuantity != NULL)
{
mValue = mpGlobalQuantity->getValue(ParticleNumbers);
}
CObjectInterface::ContainerList ListOfContainer;
CModel * pModel = getModel();
ListOfContainer.push_back(pModel);
mpReaction = static_cast< CReaction * >(const_cast< CCopasiObject * >(CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(ListOfContainer, mpParent->getCN()))));
}
bool CMathObject::setExpression(const std::string & infix,
const bool & isBoolean,
CMathContainer & container)
{
bool success = true;
CExpression Expression;
Expression.setIsBoolean(isBoolean);
success &= Expression.setInfix(infix);
CObjectInterface::ContainerList ListOfContainer;
ListOfContainer.push_back(&container);
success &= Expression.compile(ListOfContainer);
success &= setExpression(Expression, container);
return success;
}
bool CopasiWidget::leave()
{
CObjectInterface::ContainerList List;
List.push_back(mpDataModel);
// This will check the current data model and the root container for the object;
mpObject = const_cast< CDataObject * >(CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(List, mObjectCN)));
if (mpObject != NULL)
{
bool success = leaveProtected();
mOldCN = mObjectCN;
return success;
}
return true;
}
void SliderDialog::addSlider(CSlider* pSlider)
{
if (mpParentWindow == NULL)
return;
// check if there already is a slider for this object
CCopasiDataModel * pDataModel = pSlider->getObjectDataModel();
assert(pDataModel != NULL);
SCopasiXMLGUI* pGUI = pDataModel->getGUI();
assert(pGUI);
if (!equivalentSliderExists(pSlider))
{
CObjectInterface::ContainerList listOfContainers;
assert(CCopasiRootContainer::getDatamodelList()->size() > 0);
listOfContainers.push_back(pDataModel->getModel());
pSlider->compile(listOfContainers);
pGUI->getSliderList()->add(pSlider, true);
}
CopasiSlider* tmp = findCopasiSliderForCSlider(pSlider);
if (!tmp)
{
setCurrentSlider(new CopasiSlider(pSlider, mpParentWindow->getDataModel(), mpSliderBox));
mpCurrSlider->installEventFilter(this);
mpCurrSlider->setHidden(true);
mpCurrSlider->updateSliderData();
// make sure the slider points to the correct object
// for the currently set framework
this->setCorrectSliderObject(this->mpCurrSlider);
mSliderMap[mCurrentFolderId].push_back(mpCurrSlider);
QBoxLayout* layout = static_cast<QBoxLayout*>(mpSliderBox->layout());
int childCount = layout->count() - 1;
layout->insertWidget(childCount, mpCurrSlider);
connect(mpCurrSlider, SIGNAL(valueChanged(double)), this , SLOT(sliderValueChanged()));
connect(mpCurrSlider, SIGNAL(sliderReleased()), this, SLOT(sliderReleased()));
connect(mpCurrSlider, SIGNAL(sliderPressed()), this, SLOT(sliderPressed()));
connect(mpCurrSlider, SIGNAL(closeClicked(CopasiSlider*)), this, SLOT(removeSlider(CopasiSlider*)));
connect(mpCurrSlider, SIGNAL(editClicked(CopasiSlider*)), this, SLOT(editSlider(CopasiSlider*)));
mpCurrSlider->setHidden(false);
mChanged = true;
}
bool CopasiWidget::enter(const CCommonName & cn)
{
if (mpListView == NULL)
{
initContext();
}
mObjectCN = cn;
mOldCN = cn;
CObjectInterface::ContainerList List;
List.push_back(mpDataModel);
// This will check the current data model and the root container for the object;
mpObject = const_cast< CDataObject * >(CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(List, mObjectCN)));
mObjectType = mpObject != NULL ? ListViews::DataObjectType.toEnum(mpObject->getObjectType(), ListViews::ObjectType::RESULT) : ListViews::ObjectType::RESULT;
return enterProtected();
}
bool COutputHandler::compile(CObjectInterface::ContainerList listOfContainer)
{
CObjectInterface::ContainerList::const_iterator itContainer = listOfContainer.begin();
CObjectInterface::ContainerList::const_iterator endContainer = listOfContainer.end();
for (mpContainer = NULL; itContainer != endContainer && mpContainer == NULL; ++itContainer)
{
mpContainer = dynamic_cast< const CMathContainer * >(*itContainer);
}
assert(mpContainer != NULL);
bool success = true;
mObjects.clear();
std::set< COutputInterface *>::iterator it = mInterfaces.begin();
std::set< COutputInterface *>::iterator end = mInterfaces.end();
CObjectInterface::ObjectSet::const_iterator itObj;
CObjectInterface::ObjectSet::const_iterator endObj;
for (; it != end; ++it)
{
success &= (*it)->compile(listOfContainer);
// Assure that this is the only one master.
COutputHandler * pHandler = dynamic_cast< COutputHandler * >(*it);
if (pHandler != NULL) pHandler->setMaster(this);
// Collect the list of objects
const CObjectInterface::ObjectSet & Objects = (*it)->getObjects();
for (itObj = Objects.begin(), endObj = Objects.end(); itObj != endObj; ++itObj)
mObjects.insert(*itObj);
}
if (mpMaster == NULL)
success &= compileUpdateSequence(listOfContainer);
return success;
}
void test000087::test_import_reaction_flux_reference_2()
{
try
{
CPPUNIT_ASSERT(pCOPASIDATAMODEL->importSBMLFromString(test000087::MODEL_STRING2));
}
catch (...)
{
// there should not be an exception
CPPUNIT_ASSERT(false);
}
CPPUNIT_ASSERT(pCOPASIDATAMODEL->getModel() != NULL);
CPPUNIT_ASSERT(pCOPASIDATAMODEL->getModel()->getCompartments().size() == 1);
CPPUNIT_ASSERT(pCOPASIDATAMODEL->getModel()->getMetabolites().size() == 2);
CPPUNIT_ASSERT(pCOPASIDATAMODEL->getModel()->getModelValues().size() == 1);
CPPUNIT_ASSERT(pCOPASIDATAMODEL->getModel()->getReactions().size() == 1);
const CReaction* pReaction = pCOPASIDATAMODEL->getModel()->getReactions()[0];
CPPUNIT_ASSERT(pReaction != NULL);
const CModelValue* pMV = pCOPASIDATAMODEL->getModel()->getModelValues()[0];
CPPUNIT_ASSERT(pMV != NULL);
CPPUNIT_ASSERT(pMV->getStatus() == CModelEntity::ASSIGNMENT);
const CExpression* pExpr = pMV->getExpressionPtr();
CPPUNIT_ASSERT(pExpr != NULL);
const CEvaluationNode* pRoot = pExpr->getRoot();
CPPUNIT_ASSERT(pRoot != NULL);
CPPUNIT_ASSERT(pRoot->mainType() == CEvaluationNode::T_OBJECT);
const CEvaluationNodeObject* pObjectNode = dynamic_cast<const CEvaluationNodeObject*>(pRoot);
CPPUNIT_ASSERT(pObjectNode != NULL);
const CRegisteredObjectName cn = pObjectNode->getObjectCN();
CObjectInterface::ContainerList listOfContainers;
listOfContainers.push_back(pCOPASIDATAMODEL->getModel());
const CCopasiObject* pObject = CObjectInterface::DataModel(pCOPASIDATAMODEL->getObjectFromCN(listOfContainers, cn));
CPPUNIT_ASSERT(pObject != NULL);
CPPUNIT_ASSERT(pObject->isReference() == true);
CPPUNIT_ASSERT(pObject->getObjectName() == "Flux");
CPPUNIT_ASSERT(pObject->getObjectParent() == pReaction);
}
void CModelParameter::compile()
{
mpObject = NULL;
mIsInitialExpressionValid = true;
CObjectInterface::ContainerList ContainerList;
ContainerList.push_back(getModel());
mpObject = const_cast< CCopasiObject * >(CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(ContainerList, mCN)));
if (mpObject != NULL)
{
if (mType == unknown)
{
if (dynamic_cast< CModel * >(mpObject) != NULL)
mType = Model;
else if (dynamic_cast< CCompartment * >(mpObject) != NULL)
mType = Compartment;
else if (dynamic_cast< CMetab * >(mpObject) != NULL)
mType = Species;
else if (dynamic_cast< CModelValue * >(mpObject) != NULL)
mType = ModelValue;
else if (dynamic_cast< CCopasiParameter * >(mpObject) != NULL)
mType = ReactionParameter;
}
}
if (mpInitialExpression != NULL)
{
size_t Size = CCopasiMessage::size();
mIsInitialExpressionValid = mpInitialExpression->compile();
while (CCopasiMessage::size() > Size)
CCopasiMessage::getLastMessage();
}
}
void test000027::test_hasOnlySubstanceUnits()
{
CCopasiDataModel* pDataModel = pCOPASIDATAMODEL;
CPPUNIT_ASSERT(pDataModel->importSBMLFromString(MODEL_STRING));
CModel* pModel = pDataModel->getModel();
CPPUNIT_ASSERT(pModel != NULL);
CPPUNIT_ASSERT(pModel->getQuantityUnitEnum() == CUnit::mMol);
CPPUNIT_ASSERT(pModel->getVolumeUnitEnum() == CUnit::ml);
CPPUNIT_ASSERT(pModel->getTimeUnitEnum() == CUnit::s);
CPPUNIT_ASSERT(pModel->getCompartments().size() == 1);
const CCompartment* pCompartment = pModel->getCompartments()[0];
CPPUNIT_ASSERT(pCompartment != NULL);
CPPUNIT_ASSERT(pCompartment->getStatus() == CModelEntity::FIXED);
CPPUNIT_ASSERT(pModel->getMetabolites().size() == 2);
CMetab* pA = pModel->getMetabolites()[0];
CPPUNIT_ASSERT(pA != NULL);
CPPUNIT_ASSERT(pA->getStatus() == CModelEntity::REACTIONS);
const CMetab* pB = pModel->getMetabolites()[1];
CPPUNIT_ASSERT(pB != NULL);
CPPUNIT_ASSERT(pB->getStatus() == CModelEntity::REACTIONS);
CPPUNIT_ASSERT(pModel->getModelValues().size() == 2);
// check the kinetic law
const CModelValue* pFactor = pModel->getModelValues()[1];
CPPUNIT_ASSERT(pFactor != NULL);
CPPUNIT_ASSERT(pFactor->getStatus() == CModelEntity::FIXED);
CPPUNIT_ASSERT(fabs((pFactor->getInitialValue() - pModel->getQuantity2NumberFactor()) / pModel->getQuantity2NumberFactor()) < 1e-3);
const CModelValue* pModelValue = pModel->getModelValues()[0];
CPPUNIT_ASSERT(pModelValue != NULL);
CPPUNIT_ASSERT(pModelValue->getStatus() == CModelEntity::ASSIGNMENT);
const CExpression* pExpr = pModelValue->getExpressionPtr();
// check the expression
const CEvaluationNode* pNode = pExpr->getRoot();
CPPUNIT_ASSERT(pNode != NULL);
const CEvaluationNodeObject* pObjectNode = dynamic_cast<const CEvaluationNodeObject*>(pNode);
CPPUNIT_ASSERT(pObjectNode != NULL);
CCopasiObjectName objectCN = pObjectNode->getObjectCN();
CPPUNIT_ASSERT(!objectCN.empty());
CObjectInterface::ContainerList listOfContainers;
listOfContainers.push_back(pModel);
const CCopasiObject* pObject = CObjectInterface::DataModel(pCOPASIDATAMODEL->getObjectFromCN(listOfContainers, objectCN));
CPPUNIT_ASSERT(pObject != NULL);
CPPUNIT_ASSERT(pObject->isReference() == true);
CPPUNIT_ASSERT(pObject->getObjectName() == std::string("ParticleNumber"));
CPPUNIT_ASSERT(pObject->getObjectParent() == pA);
CPPUNIT_ASSERT(pModel->getReactions().size() == 2);
const CReaction* pReaction1 = pModel->getReactions()[0];
CPPUNIT_ASSERT(pReaction1 != NULL);
CPPUNIT_ASSERT(pReaction1->isReversible() == false);
const CFunction* pKineticFunction = pReaction1->getFunction();
CPPUNIT_ASSERT(pKineticFunction != NULL);
const CMassAction* pMassAction = dynamic_cast<const CMassAction*>(pKineticFunction);
//FTB: this no longer is recognized as mass action reaction because of the
// special case of a species with hOSU
CPPUNIT_ASSERT(pMassAction == NULL);
const CChemEq* pChemEq = &pReaction1->getChemEq();
CPPUNIT_ASSERT(pChemEq != NULL);
CPPUNIT_ASSERT(pChemEq->getCompartmentNumber() == 1);
CPPUNIT_ASSERT(pChemEq->getSubstrates().size() == 1);
const CChemEqElement* pElement = pChemEq->getSubstrates()[0];
CPPUNIT_ASSERT(pElement != NULL);
CPPUNIT_ASSERT(fabs(pElement->getMultiplicity() - 1.0) < 1e-3);
CPPUNIT_ASSERT(pElement->getMetabolite() == pA);
CPPUNIT_ASSERT(pChemEq->getProducts().size() == 0);
CPPUNIT_ASSERT(pChemEq->getModifiers().size() == 0);
const CReaction* pReaction2 = pModel->getReactions()[1];
CPPUNIT_ASSERT(pReaction2 != NULL);
CPPUNIT_ASSERT(pReaction2->isReversible() == false);
// check the kinetic law
pKineticFunction = pReaction2->getFunction();
CPPUNIT_ASSERT(pKineticFunction != NULL);
CPPUNIT_ASSERT(pKineticFunction->getObjectName() == std::string("Henri-Michaelis-Menten (irreversible)"));
// check the function parameters one should be the reference to the substrate
pChemEq = &pReaction2->getChemEq();
CPPUNIT_ASSERT(pChemEq != NULL);
CPPUNIT_ASSERT(pChemEq->getCompartmentNumber() == 1);
CPPUNIT_ASSERT(pChemEq->getSubstrates().size() == 1);
pElement = pChemEq->getSubstrates()[0];
CPPUNIT_ASSERT(pElement != NULL);
CPPUNIT_ASSERT(fabs(pElement->getMultiplicity() - 1.0) < 1e-3);
CPPUNIT_ASSERT(pElement->getMetabolite() == pA);
CPPUNIT_ASSERT(pChemEq->getProducts().size() == 1);
pElement = pChemEq->getProducts()[0];
CPPUNIT_ASSERT(pElement != NULL);
CPPUNIT_ASSERT(fabs(pElement->getMultiplicity() - 1.0) < 1e-3);
CPPUNIT_ASSERT(pElement->getMetabolite() == pB);
CPPUNIT_ASSERT(pChemEq->getModifiers().size() == 0);
const std::vector<std::vector<std::string> > parameterMappings = pReaction2->getParameterMappings();
CPPUNIT_ASSERT(parameterMappings.size() == 3);
CPPUNIT_ASSERT(parameterMappings[0].size() == 1);
const std::string parameterKey = parameterMappings[0][0];
CPPUNIT_ASSERT(parameterKey == pA->getKey());
}
void test000043::test_hasOnlySubstanceUnits()
{
CCopasiDataModel* pDataModel = pCOPASIDATAMODEL;
CPPUNIT_ASSERT(pDataModel->importSBMLFromString(MODEL_STRING));
CModel* pModel = pDataModel->getModel();
CPPUNIT_ASSERT(pModel != NULL);
CPPUNIT_ASSERT(pModel->getQuantityUnitEnum() == CUnit::number);
CPPUNIT_ASSERT(pModel->getVolumeUnitEnum() == CUnit::ml);
CPPUNIT_ASSERT(pModel->getTimeUnitEnum() == CUnit::s);
CPPUNIT_ASSERT(pModel->getCompartments().size() == 1);
const CCompartment* pCompartment = pModel->getCompartments()[0];
CPPUNIT_ASSERT(pCompartment != NULL);
CPPUNIT_ASSERT(pCompartment->getStatus() == CModelEntity::FIXED);
CPPUNIT_ASSERT(pModel->getMetabolites().size() == 2);
CMetab* pA = pModel->getMetabolites()[0];
CPPUNIT_ASSERT(pA != NULL);
CPPUNIT_ASSERT(pA->getStatus() == CModelEntity::REACTIONS);
const CMetab* pB = pModel->getMetabolites()[1];
CPPUNIT_ASSERT(pB != NULL);
CPPUNIT_ASSERT(pB->getStatus() == CModelEntity::REACTIONS);
CPPUNIT_ASSERT(pModel->getModelValues().size() == 1);
const CModelValue* pModelValue = pModel->getModelValues()[0];
CPPUNIT_ASSERT(pModelValue != NULL);
CPPUNIT_ASSERT(pModelValue->getStatus() == CModelEntity::FIXED);
CPPUNIT_ASSERT(pModelValue->getInitialExpression() != "");
const CExpression* pExpr = pModelValue->getInitialExpressionPtr();
CPPUNIT_ASSERT(pExpr != NULL);
// check the expression
const CEvaluationNode* pNode = pExpr->getRoot();
CPPUNIT_ASSERT(pNode != NULL);
const CEvaluationNodeObject* pObjectNode = dynamic_cast<const CEvaluationNodeObject*>(pNode);
CPPUNIT_ASSERT(pObjectNode != NULL);
CCopasiObjectName objectCN = pObjectNode->getObjectCN();
CPPUNIT_ASSERT(!objectCN.empty());
CObjectInterface::ContainerList listOfContainers;
listOfContainers.push_back(pModel);
const CCopasiObject* pObject = CObjectInterface::DataModel(pCOPASIDATAMODEL->getObjectFromCN(listOfContainers, objectCN));
CPPUNIT_ASSERT(pObject != NULL);
CPPUNIT_ASSERT(pObject->isReference() == true);
CPPUNIT_ASSERT(pObject->getObjectName() == std::string("InitialParticleNumber"));
CPPUNIT_ASSERT(pObject->getObjectParent() == pA);
// check the reactions
CPPUNIT_ASSERT(pModel->getReactions().size() == 2);
const CReaction* pReaction1 = pModel->getReactions()[0];
CPPUNIT_ASSERT(pReaction1 != NULL);
CPPUNIT_ASSERT(pReaction1->isReversible() == false);
// check the kinetic law
const CFunction* pKineticFunction = pReaction1->getFunction();
CPPUNIT_ASSERT(pKineticFunction != NULL);
const CMassAction* pMassAction = dynamic_cast<const CMassAction*>(pKineticFunction);
//FTB: this no longer is recognized as mass action reaction because of the
// special case of a species with hOSU
CPPUNIT_ASSERT(pMassAction == NULL);
const CChemEq* pChemEq = &pReaction1->getChemEq();
CPPUNIT_ASSERT(pChemEq != NULL);
CPPUNIT_ASSERT(pChemEq->getCompartmentNumber() == 1);
CPPUNIT_ASSERT(pChemEq->getSubstrates().size() == 1);
const CChemEqElement* pElement = pChemEq->getSubstrates()[0];
CPPUNIT_ASSERT(pElement != NULL);
CPPUNIT_ASSERT(fabs(pElement->getMultiplicity() - 1.0) < 1e-3);
CPPUNIT_ASSERT(pElement->getMetabolite() == pA);
CPPUNIT_ASSERT(pChemEq->getProducts().size() == 0);
CPPUNIT_ASSERT(pChemEq->getModifiers().size() == 0);
const CReaction* pReaction2 = pModel->getReactions()[1];
CPPUNIT_ASSERT(pReaction2 != NULL);
CPPUNIT_ASSERT(pReaction2->isReversible() == false);
// check the kinetic law
pKineticFunction = pReaction2->getFunction();
CPPUNIT_ASSERT(pKineticFunction != NULL);
CPPUNIT_ASSERT(pKineticFunction->getObjectName() == std::string("Function for reaction_1"));
const CFunctionParameters* pFunctionParameters = &pKineticFunction->getVariables();
CPPUNIT_ASSERT(pFunctionParameters->size() == 4);
const CFunctionParameter* pFunctionParameter = (*pFunctionParameters)[0];
CPPUNIT_ASSERT(pFunctionParameter != NULL);
CPPUNIT_ASSERT(pFunctionParameter->getType() == CFunctionParameter::FLOAT64);
CPPUNIT_ASSERT(pFunctionParameter->getUsage() == CFunctionParameter::PARAMETER);
pFunctionParameter = (*pFunctionParameters)[1];
CPPUNIT_ASSERT(pFunctionParameter != NULL);
CPPUNIT_ASSERT(pFunctionParameter->getType() == CFunctionParameter::FLOAT64);
CPPUNIT_ASSERT(pFunctionParameter->getUsage() == CFunctionParameter::PARAMETER);
pFunctionParameter = (*pFunctionParameters)[2];
CPPUNIT_ASSERT(pFunctionParameter != NULL);
CPPUNIT_ASSERT(pFunctionParameter->getType() == CFunctionParameter::FLOAT64);
CPPUNIT_ASSERT(pFunctionParameter->getUsage() == CFunctionParameter::VOLUME);
pFunctionParameter = (*pFunctionParameters)[3];
CPPUNIT_ASSERT(pFunctionParameter != NULL);
CPPUNIT_ASSERT(pFunctionParameter->getType() == CFunctionParameter::FLOAT64);
CPPUNIT_ASSERT(pFunctionParameter->getUsage() == CFunctionParameter::SUBSTRATE);
pNode = pKineticFunction->getRoot();
const CEvaluationNodeCall* pCallNode = dynamic_cast<const CEvaluationNodeCall*>(pNode);
CPPUNIT_ASSERT(pCallNode != NULL);
CPPUNIT_ASSERT((pCallNode->subType()) == CEvaluationNode::S_FUNCTION);
CPPUNIT_ASSERT(pCallNode->getData() == std::string("Henri-Michaelis-Menten (irreversible)_2"));
const CEvaluationNodeOperator* pOperatorNode = dynamic_cast<const CEvaluationNodeOperator*>(pCallNode->getChild());
CPPUNIT_ASSERT(pOperatorNode != NULL);
CPPUNIT_ASSERT((pOperatorNode->subType()) == CEvaluationNode::S_MULTIPLY);
const CEvaluationNodeVariable* pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pOperatorNode->getChild());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 3);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pOperatorNode->getChild()->getSibling());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 2);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pCallNode->getChild()->getSibling());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 0);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pCallNode->getChild()->getSibling()->getSibling());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 1);
pKineticFunction = dynamic_cast<const CFunction*>(pCallNode->getCalledTree());
CPPUNIT_ASSERT(pKineticFunction != NULL);
CPPUNIT_ASSERT(pKineticFunction->getObjectName() == std::string("Henri-Michaelis-Menten (irreversible)_2"));
pNode = pKineticFunction->getRoot();
CPPUNIT_ASSERT(pNode != NULL);
pOperatorNode = dynamic_cast<const CEvaluationNodeOperator*>(pNode);
CPPUNIT_ASSERT(pOperatorNode != NULL);
CPPUNIT_ASSERT((pOperatorNode->subType()) == CEvaluationNode::S_DIVIDE);
const CEvaluationNodeOperator* pOperatorNode2 = dynamic_cast<const CEvaluationNodeOperator*>(pOperatorNode->getChild());
CPPUNIT_ASSERT(pOperatorNode2 != NULL);
CPPUNIT_ASSERT((pOperatorNode2->subType()) == CEvaluationNode::S_MULTIPLY);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pOperatorNode2->getChild());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 2);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pOperatorNode2->getChild()->getSibling());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 0);
pOperatorNode2 = dynamic_cast<const CEvaluationNodeOperator*>(pOperatorNode->getChild()->getSibling());
CPPUNIT_ASSERT(pOperatorNode2 != NULL);
CPPUNIT_ASSERT((pOperatorNode2->subType()) == CEvaluationNode::S_PLUS);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pOperatorNode2->getChild());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 1);
pVariableNode = dynamic_cast<const CEvaluationNodeVariable*>(pOperatorNode2->getChild()->getSibling());
CPPUNIT_ASSERT(pVariableNode != NULL);
CPPUNIT_ASSERT(pVariableNode->getIndex() == 0);
// check the function parameters one should be the reference to the substrate
pChemEq = &pReaction2->getChemEq();
CPPUNIT_ASSERT(pChemEq != NULL);
CPPUNIT_ASSERT(pChemEq->getCompartmentNumber() == 1);
CPPUNIT_ASSERT(pChemEq->getSubstrates().size() == 1);
pElement = pChemEq->getSubstrates()[0];
CPPUNIT_ASSERT(pElement != NULL);
CPPUNIT_ASSERT(fabs(pElement->getMultiplicity() - 1.0) < 1e-3);
CPPUNIT_ASSERT(pElement->getMetabolite() == pA);
CPPUNIT_ASSERT(pChemEq->getProducts().size() == 1);
pElement = pChemEq->getProducts()[0];
CPPUNIT_ASSERT(pElement != NULL);
CPPUNIT_ASSERT(fabs(pElement->getMultiplicity() - 1.0) < 1e-3);
CPPUNIT_ASSERT(pElement->getMetabolite() == pB);
CPPUNIT_ASSERT(pChemEq->getModifiers().size() == 0);
const std::vector<std::vector<std::string> > parameterMappings = pReaction2->getParameterMappings();
CPPUNIT_ASSERT(parameterMappings.size() == 4);
CPPUNIT_ASSERT(parameterMappings[2].size() == 1);
std::string parameterKey = parameterMappings[2][0];
CPPUNIT_ASSERT(parameterKey == pCompartment->getKey());
CPPUNIT_ASSERT(parameterMappings[3].size() == 1);
parameterKey = parameterMappings[3][0];
CPPUNIT_ASSERT(parameterKey == pA->getKey());
}
void test000087::test_simulate_reaction_flux_reference_1()
{
try
{
bool result = pCOPASIDATAMODEL->importSBMLFromString(test000087::MODEL_STRING5);
CPPUNIT_ASSERT(result = true);
}
catch (...)
{
// there should be no exception
CPPUNIT_ASSERT(false);
}
CModel* pModel = pCOPASIDATAMODEL->getModel();
CPPUNIT_ASSERT(pModel != NULL);
CPPUNIT_ASSERT(pModel->getCompartments().size() == 1);
CPPUNIT_ASSERT(pModel->getMetabolites().size() == 2);
CPPUNIT_ASSERT(pModel->getModelValues().size() == 2);
CPPUNIT_ASSERT(pModel->getReactions().size() == 1);
const CReaction* pReaction = pModel->getReactions()[0];
CPPUNIT_ASSERT(pReaction != NULL);
CModelValue* pConstParameter = NULL;
CModelValue* pNonConstParameter = NULL;
unsigned int i, iMax = pModel->getModelValues().size();
for (i = 0; i < iMax; ++i)
{
if (pModel->getModelValues()[i]->getStatus() == CModelEntity::FIXED)
{
pConstParameter = pModel->getModelValues()[i];
}
if (pModel->getModelValues()[i]->getStatus() == CModelEntity::ASSIGNMENT)
{
pNonConstParameter = pModel->getModelValues()[i];
}
}
CPPUNIT_ASSERT(pConstParameter != NULL);
CPPUNIT_ASSERT(pNonConstParameter != NULL);
// check if the kinetic law is mass action with const global parameter as the kinetic constant
CPPUNIT_ASSERT(pReaction->getChemEq().getSubstrates().size() == 1);
CPPUNIT_ASSERT(pReaction->getChemEq().getProducts().size() == 1);
CPPUNIT_ASSERT(pReaction->getChemEq().getModifiers().size() == 0);
CPPUNIT_ASSERT(pReaction->isReversible() == false);
const CFunction* pKineticLaw = pReaction->getFunction();
CPPUNIT_ASSERT(pKineticLaw != NULL);
CPPUNIT_ASSERT(pKineticLaw->getType() == CEvaluationTree::MassAction);
const std::vector< std::vector<std::string> > & parameterMappings = pReaction->getParameterMappings();
CPPUNIT_ASSERT(parameterMappings.size() == 2);
CPPUNIT_ASSERT(parameterMappings[0].size() == 1);
CPPUNIT_ASSERT(parameterMappings[0][0] == pConstParameter->getKey());
CPPUNIT_ASSERT(parameterMappings[1].size() == 1);
std::string substrateKey = parameterMappings[1][0];
const CCopasiObject* pTempObject = CCopasiRootContainer::getKeyFactory()->get(substrateKey);
CPPUNIT_ASSERT(pTempObject != NULL);
const CMetab* pSubstrate = dynamic_cast<const CMetab*>(pTempObject);
CPPUNIT_ASSERT(pSubstrate != NULL);
// check that the assignment consists of only one object node that is a reference to the reaction flux
const CExpression* pExpression = pNonConstParameter->getExpressionPtr();
CPPUNIT_ASSERT(pExpression != NULL);
const CEvaluationNode* pRoot = pExpression->getRoot();
CPPUNIT_ASSERT(pRoot != NULL);
CPPUNIT_ASSERT(pRoot->mainType() == CEvaluationNode::T_OBJECT);
const CEvaluationNodeObject* pObjectNode = dynamic_cast<const CEvaluationNodeObject*>(pRoot);
CPPUNIT_ASSERT(pObjectNode != NULL);
const CRegisteredObjectName cn = pObjectNode->getObjectCN();
CObjectInterface::ContainerList listOfContainers;
listOfContainers.push_back(pCOPASIDATAMODEL->getModel());
const CCopasiObject* pObject = CObjectInterface::DataModel(pCOPASIDATAMODEL->getObjectFromCN(listOfContainers, cn));
CPPUNIT_ASSERT(pObject != NULL);
CPPUNIT_ASSERT(pObject->isReference() == true);
CPPUNIT_ASSERT(pObject->getObjectName() == "Flux");
CPPUNIT_ASSERT(pObject->getObjectParent() == pReaction);
// Simulate the model (5 steps, stepsize 1 and check that at each step, the value of the variable parameter
// is the same as the flux through the reaction.
std::ostringstream result;
// create a report with the correct filename and all the species against
// time.
CReportDefinitionVector* pReports = pCOPASIDATAMODEL->getReportDefinitionList();
CReportDefinition* pReport = pReports->createReportDefinition("Report", "Output for simulation");
pReport->setTaskType(CCopasiTask::timeCourse);
pReport->setIsTable(false);
pReport->setSeparator(", ");
std::vector<CRegisteredObjectName>* pHeader = pReport->getHeaderAddr();
std::vector<CRegisteredObjectName>* pBody = pReport->getBodyAddr();
pHeader->push_back(CCopasiStaticString("time").getCN());
pHeader->push_back(pReport->getSeparator().getCN());
pHeader->push_back(CCopasiStaticString("substrate").getCN());
pHeader->push_back(pReport->getSeparator().getCN());
pHeader->push_back(CCopasiStaticString("reaction flux").getCN());
pHeader->push_back(pReport->getSeparator().getCN());
pHeader->push_back(CCopasiStaticString("variable model value").getCN());
pBody->push_back(CCopasiObjectName(pCOPASIDATAMODEL->getModel()->getCN() + ",Reference=Time"));
pBody->push_back(CRegisteredObjectName(pReport->getSeparator().getCN()));
pBody->push_back(CCopasiObjectName(pSubstrate->getCN() + ",Reference=Concentration"));
pBody->push_back(CRegisteredObjectName(pReport->getSeparator().getCN()));
pBody->push_back(CCopasiObjectName(pReaction->getCN() + ",Reference=Flux"));
pBody->push_back(CRegisteredObjectName(pReport->getSeparator().getCN()));
pBody->push_back(CCopasiObjectName(pNonConstParameter->getCN() + ",Reference=Value"));
//
// create a trajectory task
CTrajectoryTask* pTrajectoryTask = new CTrajectoryTask();
// use LSODAR from now on since we will have events pretty soon
pTrajectoryTask->setMethodType(CCopasiMethod::LSODAR);
pTrajectoryTask->getProblem()->setModel(pCOPASIDATAMODEL->getModel());
pTrajectoryTask->setScheduled(true);
pTrajectoryTask->getReport().setReportDefinition(pReport);
// the target needs to be set in order to get output on the stream
// object passed to the task in the call to initialize below
pTrajectoryTask->getReport().setTarget("test.tmp");
CTrajectoryProblem* pProblem = dynamic_cast<CTrajectoryProblem*>(pTrajectoryTask->getProblem());
pProblem->setStepNumber((const unsigned C_INT32)30);
pCOPASIDATAMODEL->getModel()->setInitialTime((const C_FLOAT64)0.0);
pProblem->setDuration((const C_FLOAT64)30);
pProblem->setTimeSeriesRequested(true);
CTrajectoryMethod* pMethod = dynamic_cast<CTrajectoryMethod*>(pTrajectoryTask->getMethod());
pMethod->getParameter("Absolute Tolerance")->setValue(1.0e-12);
CCopasiVectorN< CCopasiTask > & TaskList = * pCOPASIDATAMODEL->getTaskList();
TaskList.remove("Time-Course");
TaskList.add(pTrajectoryTask, true);
try
{
pTrajectoryTask->initialize(CCopasiTask::OUTPUT_UI, pCOPASIDATAMODEL, &result);
pTrajectoryTask->process(true);
pTrajectoryTask->restore();
}
catch (...)
{
// there should be no exception
CPPUNIT_ASSERT(false);
}
// analyse the result
CPPUNIT_ASSERT(!result.str().empty());
std::string result_string = result.str();
std::string delimiter = "\n";
std::string delimiter2 = ",";
std::size_t lastPos = result_string.find_first_not_of(delimiter);
std::size_t pos;
std::string line, number_string;
unsigned int index = 0;
unsigned int index2;
std::size_t lastPos2;
std::size_t pos2;
double last = std::numeric_limits<double>::max(), current = std::numeric_limits<double>::max();
while (lastPos != std::string::npos)
{
pos = result_string.find_first_of(delimiter, lastPos);
line = result_string.substr(lastPos, pos - lastPos);
lastPos = result_string.find_first_not_of(delimiter, pos);
lastPos2 = line.find_first_not_of(delimiter2);
// skip the header line
if (index != 0)
{
index2 = 0;
while (lastPos2 != std::string::npos)
{
pos2 = line.find_first_of(delimiter2, lastPos2);
number_string = line.substr(lastPos2, pos2 - lastPos2);
lastPos2 = line.find_first_not_of(delimiter2, pos2);
// skip the time column
if (index2 != 0)
{
//check that all values in the row (besides the time)
// are always the same
if (index2 == 1)
{
last = strToDouble(number_string.c_str(), NULL);
if (index == 1)
{
// just make sure that we don't compare all zeros
// The initial value of the substrate hould be higher than 1
CPPUNIT_ASSERT(fabs(pSubstrate->getInitialValue()) > 1);
// the first rwo should correspond the the initial value of the substrate
// We check this to make sure that the whole timeseries does not consist of zeros
CPPUNIT_ASSERT(fabs((last - pSubstrate->getInitialConcentration()) / pSubstrate->getInitialConcentration()) < 1e-20);
}
}
else
{
current = strToDouble(number_string.c_str(), NULL);
CPPUNIT_ASSERT(fabs((current - last) / last) < 1e-20);
last = current;
}
}
++index2;
}
}
++index;
}
// make sure there actually were datapoints
CPPUNIT_ASSERT(index > 1);
// the simulation is set to run until all substrate is depleted, so in the end
// last should be below the absolute tolerance for the simulation
CPPUNIT_ASSERT(last < *pMethod->getParameter("Absolute Tolerance")->getValue().pDOUBLE);
}
void CQExpressionWidget::setExpression(const std::string & expression)
{
if (mpValidatorExpression == NULL)
{
mpValidatorExpression = new CQValidatorExpression(this, "");
mpValidatorExpression->revalidate();
}
// Reset the parse list.
mParseList.clear();
mCursor = textCursor();
CFunctionDB* pFunDB = CCopasiRootContainer::getFunctionList();
assert(CCopasiRootContainer::getDatamodelList()->size() > 0);
CCopasiDataModel* pDataModel = &CCopasiRootContainer::getDatamodelList()->operator[](0);
assert(pDataModel != NULL);
CObjectInterface::ContainerList containers;
containers.push_back(pDataModel);
containers.push_back(pFunDB);
const QString Infix(FROM_UTF8(expression));
QString Display;
QRegExp InfixObjectPattern(CQExpressionWidget::InfixPattern);
int Index = 0;
QString::const_iterator it = Infix.begin();
QString::const_iterator end;
while (true)
{
Index = InfixObjectPattern.indexIn(Infix, Index);
if (Index < 0)
{
end = Infix.end();
}
else
{
end = Infix.begin() + Index;
}
// Copy the non-object part
for (; it != end; ++it)
{
Display.append(*it);
}
if (InfixObjectPattern.matchedLength() < 0)
break;
Index += InfixObjectPattern.matchedLength();
it += InfixObjectPattern.matchedLength();
CCopasiObjectName InfixName(TO_UTF8(InfixObjectPattern.cap(1)));
const CCopasiObject * pObject = CObjectInterface::DataObject(CObjectInterface::GetObjectFromCN(containers, InfixName));
if (pObject != NULL)
{
std::string DisplayName = pObject->getObjectDisplayName();
// We need to escape '\' and '}'
std::string::size_type pos = DisplayName.find_first_of("\\}");
while (pos != std::string::npos)
{
DisplayName.insert(pos, "\\");
pos += 2;
pos = DisplayName.find_first_of("\\}", pos);
}
mParseList[DisplayName] = pObject;
Display += '{' + FROM_UTF8(DisplayName) + '}';
}
else
{
std::string DisplayName = InfixName;
// We need to escape '\' and '}'
std::string::size_type pos = DisplayName.find_first_of("\\}");
while (pos != std::string::npos)
{
DisplayName.insert(pos, "\\");
pos += 2;
pos = DisplayName.find_first_of("\\}", pos);
}
Display += '{' + FROM_UTF8(DisplayName) + '}';
}
}
setText(Display);
mpValidatorExpression->saved();
return;
}
void SliderDialog::createNewSlider()
{
// allow the user to create more than one slider
std::vector<const CCopasiObject*> objects = CCopasiSelectionDialog::getObjectVector(this,
CQSimpleSelectionTree::InitialTime |
CQSimpleSelectionTree::Parameters);
std::vector<CSlider*>* pVector = getCSlidersForCurrentFolderId();
std::vector<const CCopasiObject*>::const_iterator it = objects.begin(), endit = objects.end();
bool yesToAll = false;
bool noToAll = false;
// create the sliders for all the selected objects
// first we need the task object because we need it later to associate the
// later with the correct task
CCopasiObject* object = (CCopasiObject*)getTaskForFolderId(mCurrentFolderId);
if (!object) return;
CCopasiObject* pTmpObject = NULL;
while (it != endit)
{
// create a new slider
assert((*it) != NULL);
pTmpObject = const_cast<CCopasiObject*>(determineCorrectObjectForSlider(*it));
CCopasiDataModel * pDataModel = pTmpObject->getObjectDataModel();
assert(pDataModel != NULL);
CSlider* pCSlider = new CSlider("slider", pDataModel);
if (pCSlider)
{
pCSlider->setSliderObject(pTmpObject);
pCSlider->setAssociatedEntityKey(object->getKey());
// check if a slider for that object already exists and if so, prompt
// the user what to do
CSlider* pEquivalentSlider = equivalentSliderExists(pCSlider);
if (pEquivalentSlider != NULL)
{
CopasiSlider* pCopasiSlider = NULL;
// if the user has specified yesToAll, we reset the ranges of all
// duplicate sliders
if (yesToAll)
{
pEquivalentSlider->resetRange();
// update the slider widget
pCopasiSlider = findCopasiSliderForCSlider(pEquivalentSlider);
assert(pCopasiSlider != NULL);
if (pCopasiSlider != NULL)
{
pCopasiSlider->updateSliderData();
}
}
// if the user has not specified noToAll, we need to prompt
else if (!noToAll)
{
QMessageBox::StandardButton result = CQMessageBox::information(NULL, "Slider Exists",
"A slider for this object already exists.\n\nDo you want to reset the range of the slider?",
QMessageBox::Yes | QMessageBox::No | QMessageBox::YesToAll | QMessageBox::NoToAll, QMessageBox::No);
// check the answer and maybe set some flags
switch (result)
{
case QMessageBox::YesToAll:
// set the flag
yesToAll = true;
case QMessageBox::Yes:
// reset the range
pEquivalentSlider->resetRange();
// update the slider widget
pCopasiSlider = findCopasiSliderForCSlider(pEquivalentSlider);
assert(pCopasiSlider != NULL);
if (pCopasiSlider != NULL)
{
pCopasiSlider->updateSliderData();
}
break;
case QMessageBox::NoToAll:
// set the flag
noToAll = true;
break;
case QMessageBox::No:
// do nothing else
break;
default:
// do nothing
break;
}
}
delete pCSlider;
}
else
{
CObjectInterface::ContainerList listOfContainers;
assert(CCopasiRootContainer::getDatamodelList()->size() > 0);
listOfContainers.push_back(pDataModel->getModel());
pCSlider->compile(listOfContainers);
pCSlider->resetRange();
addSlider(pCSlider);
mChanged = true;
}
}
++it;
}
delete pVector;
}
bool CCopasiTask::initialize(const OutputFlag & of,
COutputHandler * pOutputHandler,
std::ostream * pOstream)
{
bool success = true;
if (mpProblem == NULL)
{
CCopasiMessage(CCopasiMessage::ERROR, MCCopasiTask + 1, getObjectName().c_str());
return false;
}
if (mpContainer == NULL)
{
CCopasiMessage(CCopasiMessage::ERROR, MCCopasiTask + 2, getObjectName().c_str());
return false;
}
if (mpMethod == NULL)
{
CCopasiMessage(CCopasiMessage::ERROR, MCCopasiTask + 3, getObjectName().c_str());
return false;
}
if (mpContainer != NULL)
{
mInitialState = mpContainer->getInitialState();
}
else
{
mInitialState.resize(0);
}
mDoOutput = of;
mpOutputHandler = pOutputHandler;
if (mDoOutput == NO_OUTPUT ||
mpOutputHandler == NULL) return true;
mOutputCounter = 0;
if (mDoOutput & REPORT)
{
if (mReport.open(getObjectDataModel(), pOstream) &&
mReport.getTarget() != "")
mpOutputHandler->addInterface(&mReport);
else if (pOstream == NULL)
CCopasiMessage(CCopasiMessage::COMMANDLINE, MCCopasiTask + 5, getObjectName().c_str());
}
CObjectInterface::ContainerList ListOfContainer;
ListOfContainer.push_back(this);
if (mpContainer != NULL)
{
ListOfContainer.push_back(mpContainer);
}
if (!mpOutputHandler->compile(ListOfContainer))
{
// Warning
CCopasiMessage(CCopasiMessage::WARNING, MCCopasiTask + 7);
success = false;
}
return success;
}
bool CMetab::compile()
{
bool success = true;
// We first clear all dependencies and refreshes
// Particle Number
mpValueReference->clearDirectDependencies();
// Rate (particle number rate)
mRateVector.clear();
mpRateReference->clearDirectDependencies();
// Concentration
mpConcReference->clearDirectDependencies();
// Concentration Rate
mpConcRateReference->clearDirectDependencies();
// Noise
mpNoiseReference->clearDirectDependencies();
mpIntensiveNoiseReference->clearDirectDependencies();
// Transition Time
mpTTReference->clearDirectDependencies();
// Prepare the compilation
std::set<const CCopasiObject *> Dependencies;
CObjectInterface::ContainerList listOfContainer;
listOfContainer.push_back(getObjectAncestor("Model"));
CCopasiDataModel* pDataModel = NULL;
const CCopasiObject * pVolumeReference = NULL;
if (mpCompartment)
pVolumeReference = mpCompartment->getValueReference();
// Compile the value (particle number)
Dependencies.insert(mpConcReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
// We no longer need to distinguish the cases since the reference are now context sensitive
mpValueReference->setDirectDependencies(Dependencies);
Dependencies.clear();
// Compiling of the rest.
switch (getStatus())
{
case FIXED:
// Concentration
Dependencies.insert(mpValueReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
mpConcReference->setDirectDependencies(Dependencies);
// Fixed values
mRate = 0.0;
mConcRate = 0.0;
mIntensiveNoise = std::numeric_limits<C_FLOAT64>::quiet_NaN();
mTT = std::numeric_limits<C_FLOAT64>::infinity();
break;
case ASSIGNMENT:
// Concentration
success = mpExpression->compile(listOfContainer);
mpConcReference->setDirectDependencies(mpExpression->getDirectDependencies());
// Implicit initial expression
pdelete(mpInitialExpression);
pDataModel = getObjectDataModel();
mpInitialExpression = CExpression::createInitialExpression(*mpExpression, pDataModel);
mpInitialExpression->setObjectName("InitialExpression");
// Fixed values
mRate = std::numeric_limits< C_FLOAT64 >::quiet_NaN();
mConcRate = std::numeric_limits< C_FLOAT64 >::quiet_NaN();
mIntensiveNoise = std::numeric_limits<C_FLOAT64>::quiet_NaN();
mTT = std::numeric_limits< C_FLOAT64 >::quiet_NaN();
break;
case ODE:
// Concentration
Dependencies.insert(mpValueReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
mpConcReference->setDirectDependencies(Dependencies);
// Rate (particle number rate)
success = mpExpression->compile(listOfContainer);
Dependencies = mpExpression->getDirectDependencies();
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
mpRateReference->setDirectDependencies(Dependencies);
Dependencies.clear();
// Concentration Rate
Dependencies.insert(mpRateReference);
Dependencies.insert(mpConcReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
if (mpCompartment)
Dependencies.insert(mpCompartment->getRateReference());
mpConcRateReference->setDirectDependencies(Dependencies);
if (mpNoiseExpression != NULL)
{
// Noise (particle number rate)
success = mpNoiseExpression->compile(listOfContainer);
Dependencies = mpNoiseExpression->getDirectDependencies();
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
mpNoiseReference->setDirectDependencies(Dependencies);
Dependencies.clear();
// Intensive Noise
Dependencies.insert(mpNoiseReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
mpIntensiveNoiseReference->setDirectDependencies(Dependencies);
Dependencies.clear();
}
// Transition Time
Dependencies.insert(mpValueReference);
Dependencies.insert(mpRateReference);
mpTTReference->setDirectDependencies(Dependencies);
Dependencies.clear();
break;
case REACTIONS:
{
// Concentration
Dependencies.insert(mpValueReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
mpConcReference->setDirectDependencies(Dependencies);
Dependencies.clear();
std::set<const CCopasiObject *> NoiseDependencies;
// Create the rate vector
CCopasiVectorN< CReaction >::const_iterator it = mpModel->getReactions().begin();
CCopasiVectorN< CReaction >::const_iterator end = mpModel->getReactions().end();
for (; it != end; ++it)
{
const CCopasiVector< CChemEqElement > &Balances =
it->getChemEq().getBalances();
CCopasiVector< CChemEqElement >::const_iterator itChem = Balances.begin();
CCopasiVector< CChemEqElement >::const_iterator endChem = Balances.end();
for (; itChem != endChem; ++itChem)
if (itChem->getMetaboliteKey() == mKey)
break;
if (itChem != endChem)
{
Dependencies.insert(it->getParticleFluxReference());
NoiseDependencies.insert(it->getParticleNoiseReference());
std::pair< C_FLOAT64, const C_FLOAT64 * > Insert;
Insert.first = itChem->getMultiplicity();
Insert.second = &it->getParticleFlux();
mRateVector.push_back(Insert);
}
}
// Rate (particle number rate)
mpRateReference->setDirectDependencies(Dependencies);
// Transition Time
mpTTReference->setDirectDependencies(Dependencies);
Dependencies.clear();
// Concentration Rate
Dependencies.insert(mpRateReference);
Dependencies.insert(mpConcReference);
if (pVolumeReference)
Dependencies.insert(pVolumeReference);
if (mpCompartment)
Dependencies.insert(mpCompartment->getRateReference());
mpConcRateReference->setDirectDependencies(Dependencies);
Dependencies.clear();
mpNoiseReference->setDirectDependencies(NoiseDependencies);
if (pVolumeReference)
NoiseDependencies.insert(pVolumeReference);
mpIntensiveNoiseReference->setDirectDependencies(NoiseDependencies);
}
break;
default:
break;
}
// The initial values
success &= compileInitialValueDependencies();
return success;
}
