COPASI API
4.40.278
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#include <CFitProblem.h>
Public Member Functions | |
CFitConstraint & | addFitConstraint (const CCommonName &objectCN) |
CFitItem & | addFitItem (const CCommonName &objectCN) |
bool | calcCov (const CMatrix< C_FLOAT64 > &fim, CMatrix< C_FLOAT64 > &corr, CVector< C_FLOAT64 > &sd, bool scale) |
void | calcEigen (const CMatrix< C_FLOAT64 > &fim, CMatrix< C_FLOAT64 > &eigenvalues, CMatrix< C_FLOAT64 > &eigenvectors) |
void | calcFIM (const CMatrix< C_FLOAT64 > &jacobian, CMatrix< C_FLOAT64 > &fim) |
void | calcPartialFIM (const CMatrix< C_FLOAT64 > &jacobian, CMatrix< C_FLOAT64 > &fim, size_t a, size_t b, bool exclude=false) |
virtual bool | calculate () override |
virtual bool | calculateStatistics (const C_FLOAT64 &factor=1.0e-003, const C_FLOAT64 &resolution=1.0e-009) override |
CFitProblem (const CFitProblem &src, const CDataContainer *pParent) | |
CFitProblem (const CTaskEnum::Task &type=CTaskEnum::Task::parameterFitting, const CDataContainer *pParent=NO_PARENT) | |
virtual bool | checkFunctionalConstraints () override |
void | createParameterSets () |
virtual bool | elevateChildren () override |
void | fixBuild55 () |
CDataArray & | getCorrelations () const |
const bool & | getCreateParameterSets () const |
const C_FLOAT64 & | getCrossValidationRMS () const |
const C_FLOAT64 & | getCrossValidationSD () const |
CCrossValidationSet & | getCrossValidationSet () |
const CCrossValidationSet & | getCrossValidationSet () const |
const C_FLOAT64 & | getCrossValidationSolutionValue () const |
CExperimentSet & | getExperimentSet () |
const CExperimentSet & | getExperimentSet () const |
CDataArray & | getFisherInformation () const |
CDataArray & | getFisherInformationEigenvalues () const |
CDataArray & | getFisherInformationEigenvectors () const |
CDataArray & | getParameterEstimationJacobian () const |
const CVector< C_FLOAT64 > & | getResiduals () const |
const C_FLOAT64 & | getRMS () const |
CDataArray & | getScaledFisherInformation () const |
CDataArray & | getScaledFisherInformationEigenvalues () const |
CDataArray & | getScaledFisherInformationEigenvectors () const |
CDataArray & | getScaledParameterEstimationJacobian () const |
const C_FLOAT64 & | getStdDeviation () const |
CMatrix< C_FLOAT64 > & | getTimeSensJac () |
const CMatrix< C_FLOAT64 > & | getTimeSensJac () const |
const bool & | getUseTimeSens () const |
const CVector< C_FLOAT64 > & | getVariableStdDeviations () const |
virtual bool | initialize () override |
virtual void | print (std::ostream *ostream) const override |
virtual void | printResult (std::ostream *ostream) const override |
virtual bool | restore (const bool &updateModel) override |
bool | restore (const bool &updateModel, CExperiment *pExp) |
virtual bool | setCallBack (CProcessReportLevel callBack) override |
void | setCreateParameterSets (const bool &create) |
bool | setResidualsRequired (const bool &required) |
virtual bool | setSolution (const C_FLOAT64 &value, const CVector< C_FLOAT64 > &variables, const bool &algorithmOrder=false) override |
void | setUseTimeSens (bool value) |
void | updateInitialState () |
virtual | ~CFitProblem () |
Public Member Functions inherited from COptProblem | |
COptItem & | addOptConstraint (const CCommonName &objectCN) |
COptItem & | addOptItem (const CCommonName &objectCN) |
C_FLOAT64 | adjustForIntervals (C_FLOAT64 *pValue, const C_FLOAT64 &min, const C_FLOAT64 &max) |
bool | adjustStartValue (COptItem &optItem) |
bool | adjustStartValuesForIntervals () |
virtual void | calculateValue () override |
bool | checkIntervals () |
virtual bool | checkParametricConstraints () |
COptProblem (const COptProblem &src, const CDataContainer *pParent) | |
COptProblem (const CTaskEnum::Task &type=CTaskEnum::Task::optimization, const CDataContainer *pParent=NO_PARENT) | |
C_FLOAT64 | evalMinimizeIntervals (const C_FLOAT64 &value) |
const unsigned C_INT32 & | geFailedConstraintCounter () const |
const bool & | getCalculateStatistics () const |
const C_FLOAT64 & | getCalculateValue () const |
const unsigned C_INT32 & | getConstraintEvaluations () const |
const std::vector< COptItem * > & | getConstraintList () const |
CVectorCore< C_FLOAT64 * > & | getContainerVariables (const bool &algorithmOrder=false) const |
const sCounter & | getCounters () const |
const C_FLOAT64 & | getExecutionTime () const |
const unsigned C_INT32 & | getFailedEvaluationsExc () const |
const unsigned C_INT32 & | getFailedEvaluationsNaN () const |
const unsigned C_INT32 & | getFunctionEvaluations () const |
const std::string | getObjectiveFunction () |
COptItem & | getOptConstraint (const size_t &index) |
size_t | getOptConstraintSize () const |
COptItem & | getOptItem (const size_t &index) |
const std::vector< COptItem * > & | getOptItemList (const bool &algorithmOrder=false) const |
size_t | getOptItemSize () const |
const bool & | getRandomizeStartValues () const |
const C_FLOAT64 & | getSolutionValue () const |
const CVector< C_FLOAT64 > & | getSolutionVariables (const bool &algorithmOrder=false) const |
virtual CCopasiTask * | getSubTask () const override |
CTaskEnum::Task | getSubtaskType () const |
virtual void * | getValuePointer () const override |
const CVector< C_FLOAT64 > & | getVariableGradients () const |
size_t | getVariableSize () const |
void | incrementCounters (const sCounter &increment) |
virtual bool | initializeSubtaskBeforeOutput () |
const bool & | maximize () const |
void | randomizeStartValues () |
void | rememberStartValues () |
bool | removeOptConstraint (const size_t &index) |
bool | removeOptItem (const size_t &index) |
void | reset () |
void | resetCounters () |
void | setCalculateStatistics (const bool &calculate) |
void | setMaximize (const bool &maximize) |
bool | setObjectiveFunction (const std::string &infix) |
void | setParameters (const CVectorCore< C_FLOAT64 > ¶meters) |
void | setRandomizeStartValues (const bool &randomize) |
CCommonName | setSubtaskType (const CTaskEnum::Task &subtaskType) |
bool | swapOptItem (const size_t &iFrom, const size_t &iTo) |
virtual | ~COptProblem () |
Public Member Functions inherited from CCopasiProblem | |
CCopasiProblem (const CCopasiProblem &src, const CDataContainer *pParent) | |
virtual void | clearCallBack () |
CCopasiProblem * | copy () const |
const CProcessReportLevel & | getCallBack () const |
CMathContainer * | getMathContainer () const |
const CTaskEnum::Task & | getType () const |
void | setMathContainer (CMathContainer *pContainer) |
virtual bool | setModel (CModel *model) |
virtual | ~CCopasiProblem () |
Public Member Functions inherited from CCopasiParameterGroup | |
bool | addGroup (const std::string &name) |
void | addParameter (CCopasiParameter *pParameter) |
bool | addParameter (const CCopasiParameter ¶meter) |
bool | addParameter (const std::string &name, const CCopasiParameter::Type type, const CCopasiParameter::UserInterfaceFlag &flag=CCopasiParameter::UserInterfaceFlag::All) |
template<class CType > | |
bool | addParameter (const std::string &name, const CCopasiParameter::Type type, const CType &value, const CCopasiParameter::UserInterfaceFlag &flag=CCopasiParameter::UserInterfaceFlag::All) |
virtual bool | applyData (const CData &data, CUndoData::CChangeSet &changes) |
CCopasiParameterGroup * | assertGroup (const std::string &name, const CCopasiParameter::UserInterfaceFlag &flag=CCopasiParameter::UserInterfaceFlag::All) |
template<class CType > | |
CType * | assertParameter (const std::string &name, const CCopasiParameter::Type type, const CType &defaultValue, const CCopasiParameter::UserInterfaceFlag &flag=CCopasiParameter::UserInterfaceFlag::All) |
index_iterator | beginIndex () const |
const_name_iterator | beginName () const |
CCopasiParameterGroup (const CCopasiParameterGroup &src, const CDataContainer *pParent=NULL) | |
CCopasiParameterGroup (const std::string &name, const CDataContainer *pParent=NO_PARENT, const std::string &objectType="ParameterGroup") | |
void | clear () |
virtual void | createUndoData (CUndoData &undoData, const CUndoData::Type &type, const CData &oldData=CData(), const CCore::Framework &framework=CCore::Framework::ParticleNumbers) const |
index_iterator | endIndex () const |
const_name_iterator | endName () const |
CCopasiParameterGroup & | getElementTemplates () |
const CCopasiParameterGroup & | getElementTemplates () const |
CCopasiParameterGroup * | getGroup (const size_t &index) |
const CCopasiParameterGroup * | getGroup (const size_t &index) const |
CCopasiParameterGroup * | getGroup (const std::string &name) |
const CCopasiParameterGroup * | getGroup (const std::string &name) const |
virtual size_t | getIndex (const CDataObject *pObject) const |
size_t | getIndex (const std::string &name) const |
std::string | getKey (const size_t &index) const |
std::string | getKey (const std::string &name) const |
virtual const std::string & | getName (const size_t &index) const |
virtual const CObjectInterface * | getObject (const CCommonName &cn) const |
CCopasiParameter * | getParameter (const size_t &index) |
const CCopasiParameter * | getParameter (const size_t &index) const |
CCopasiParameter * | getParameter (std::string name) |
const CCopasiParameter * | getParameter (std::string name) const |
CCopasiParameter::Type | getType (const size_t &index) const |
CCopasiParameter::Type | getType (const std::string &name) const |
std::string | getUniqueParameterName (const CCopasiParameter *pParameter) const |
template<class CType > | |
CType & | getValue (const size_t &index) |
template<class CType > | |
const CType & | getValue (const size_t &index) const |
template<class CType > | |
CType & | getValue (const std::string &name) |
template<class CType > | |
const CType & | getValue (const std::string &name) const |
bool | haveTemplate () const |
virtual CUndoObjectInterface * | insert (const CData &data) |
CCopasiParameterGroup & | operator= (const CCopasiParameterGroup &rhs) |
virtual bool | remove (CDataObject *pObject) |
bool | removeParameter (CCopasiParameter *pParameter) |
bool | removeParameter (const size_t &index) |
bool | removeParameter (const std::string &name) |
virtual void | setUserInterfaceFlag (const UserInterfaceFlag &flag) |
template<class CType > | |
bool | setValue (const size_t &index, const CType &value) |
template<class CType > | |
bool | setValue (const std::string &name, const CType &value) |
size_t | size (const UserInterfaceFlag &require=UserInterfaceFlag::None, const UserInterfaceFlag &exclude=UserInterfaceFlag::None) const |
bool | swap (const size_t &iFrom, const size_t &iTo) |
bool | swap (index_iterator &from, index_iterator &to) |
virtual CData | toData () const |
virtual void | updateIndex (const size_t &index, const CUndoObjectInterface *pUndoObject) |
virtual | ~CCopasiParameterGroup () |
Public Member Functions inherited from CCopasiParameter | |
CCopasiParameter (const CCopasiParameter &src, const CDataContainer *pParent) | |
CCopasiParameter (const std::string &name, const Type &type, const void *pValue=NULL, const CDataContainer *pParent=NO_PARENT, const std::string &objectType="Parameter") | |
virtual CCommonName | getCN () const override |
template<class CType > | |
const CType & | getDefault () const |
virtual const std::string & | getKey () const override |
virtual std::string | getObjectDisplayName () const override |
const CCopasiParameter::Type & | getType () const |
const UserInterfaceFlag & | getUserInterfaceFlag () const |
template<class CType > | |
std::vector< std::pair< CType, CType > > & | getValidValues () |
template<class CType > | |
const std::vector< std::pair< CType, CType > > & | getValidValues () const |
void * | getValidValuesPointer () const |
template<class CType > | |
CType & | getValue () |
template<class CType > | |
const CType & | getValue () const |
CDataObject * | getValueReference () const |
bool | hasValidValues () const |
bool | isBasic () const |
bool | isDefault () const |
bool | isEditable () const |
bool | isUnsupported () const |
bool | isValidValue (const bool &value) const |
bool | isValidValue (const C_FLOAT64 &value) const |
bool | isValidValue (const C_INT32 &value) const |
bool | isValidValue (const CCommonName &value) const |
template<class CType > | |
bool | isValidValue (const CType &) const |
bool | isValidValue (const std::string &value) const |
bool | isValidValue (const std::vector< CCopasiParameter * > &value) const |
bool | isValidValue (const unsigned C_INT32 &value) const |
CCopasiParameter & | operator= (const CCopasiParameter &rhs) |
template<class CType > | |
bool | setDefault (const CType &defaultValue) |
bool | setDefault (const std::vector< CCopasiParameter * > &defaultValue) |
virtual bool | setObjectParent (const CDataContainer *pParent) override |
template<class CType , class Enum > | |
bool | setValidValues (const CEnumAnnotation< CType, Enum > &validValues) |
template<class CType > | |
bool | setValidValues (const std::vector< std::pair< CType, CType > > &validValues) |
template<class CType > | |
bool | setValue (const CType &value) |
bool | setValue (const std::vector< CCopasiParameter * > &value) |
virtual | ~CCopasiParameter () |
Public Member Functions inherited from CDataContainer | |
virtual bool | add (CDataObject *pObject, const bool &adopt=true) |
virtual bool | appendDeletedDependentData (CUndoData &undoData) const |
CDataContainer (const CDataContainer &src, const CDataContainer *pParent) | |
CDataContainer (const std::string &name, const CDataContainer *pParent=NO_PARENT, const std::string &type="CN", const CFlags< Flag > &flag=CFlags< Flag >::None) | |
virtual std::string | getChildObjectUnits (const CDataObject *pObject) const |
void | getDescendants (CDataObject::DataObjectSet &descendants, const bool &recursive=false) const |
virtual objectMap & | getObjects () |
virtual const objectMap & | getObjects () const |
virtual const std::string | getUnits () const override |
virtual const CDataObject * | getValueObject () const override |
void | objectRenamed (CDataObject *pObject, const std::string &oldName) |
virtual | ~CDataContainer () |
Public Member Functions inherited from CDataObject | |
void | addIssue (const CIssue &issue) |
void | addReference (const CDataContainer *pReference) |
CDataObject (const CDataObject &src, const CDataContainer *pParent=NULL) | |
virtual void | destruct () override |
virtual const CDataObject * | getDataObject () const override |
CDataContainer * | getObjectAncestor (const std::string &type) const |
CDataModel * | getObjectDataModel () const |
const CObjectInterface * | getObjectFromCN (const CCommonName &cn) const |
const std::string & | getObjectName () const |
CDataContainer * | getObjectParent () const |
const std::string & | getObjectType () const |
virtual const CObjectInterface::ObjectSet & | getPrerequisites () const override |
virtual const CValidity & | getValidity () const override |
bool | hasFlag (const Flag &flag) const |
virtual bool | isPrerequisiteForContext (const CObjectInterface *pObject, const CCore::SimulationContextFlag &context, const CObjectInterface::ObjectSet &changedObjects) const override |
bool | prerequisitsContains (const DataObjectSet &objects) const |
void | removeIssue (const CIssue &issue) |
void | removeReference (const CDataContainer *pReference) |
bool | setObjectName (const std::string &name) |
void | validityChanged (const CValidity &changedValidity) override |
void | validityRemoved (const CValidity &changedValidity) |
virtual | ~CDataObject () |
Public Member Functions inherited from CObjectInterface | |
CObjectInterface () | |
CObjectInterface (const CObjectInterface &src) | |
virtual | ~CObjectInterface () |
Public Member Functions inherited from CUndoObjectInterface | |
CUndoObjectInterface () | |
CUndoObjectInterface (const CUndoObjectInterface &src) | |
bool | generateUuid () |
const xg::Guid & | getUuid () const |
bool | setUuid (const std::string &uuid) |
bool | setUuid (const xg::Guid &uuid) |
virtual | ~CUndoObjectInterface () |
Protected Member Functions | |
void | createParameterSet (const std::string &Name) |
virtual void | updateContainer (const bool &update) override |
Protected Member Functions inherited from CCopasiProblem | |
CCopasiProblem (const CCopasiProblem &src) | |
CCopasiProblem (const CTaskEnum::Task &type, const CDataContainer *pParent) | |
virtual void | signalMathContainerChanged () |
Protected Member Functions inherited from CCopasiParameterGroup | |
CCopasiParameterGroup () | |
Protected Member Functions inherited from CCopasiParameter | |
CCopasiParameter (const CCopasiParameter &src) | |
Protected Member Functions inherited from CDataContainer | |
template<class CType > | |
CDataMatrixReference< CType > * | addMatrixReference (const std::string &name, CType &reference, const CFlags< Flag > &flag=CFlags< Flag >::None) |
template<class CType > | |
CDataObjectReference< CType > * | addObjectReference (const std::string &name, CType &reference, const CFlags< Flag > &flag=CFlags< Flag >::None) |
template<class CType > | |
CDataVectorReference< CType > * | addVectorReference (const std::string &name, CType &reference, const CFlags< Flag > &flag=CFlags< Flag >::None) |
CDataContainer (const CDataContainer &src) | |
void | initObjects () |
Protected Member Functions inherited from CDataObject | |
CDataObject () | |
CDataObject (const std::string &name, const CDataContainer *pParent=static_cast< CDataContainer * >((void *) 0), const std::string &type="CN", const CFlags< Flag > &flag=CFlags< Flag >::None) | |
Private Member Functions | |
bool | calculateCrossValidation () |
virtual bool | createObjectiveFunction () |
void | initializeParameter () |
void | initObjects () |
Friends | |
std::ostream & | operator<< (std::ostream &os, const CFitProblem &o) |
CFitProblem::CFitProblem | ( | const CTaskEnum::Task & | type = CTaskEnum::Task::parameterFitting , |
const CDataContainer * | pParent = NO_PARENT |
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) |
Default constructor
const | CTaskEnum::Task & type (default: parameterFitting) |
const | CDataContainer * pParent (default: NULL) |
References initializeParameter(), and initObjects().
CFitProblem::CFitProblem | ( | const CFitProblem & | src, |
const CDataContainer * | pParent | ||
) |
Copy constructor.
const | CFitProblem & src |
const | CDataContainer * pParent (default: NULL) |
References initializeParameter(), and initObjects().
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virtual |
Destructor
References mpCorrelationMatrix, mpCorrelationMatrixInterface, mpDeltaResidualDeltaParameterInterface, mpDeltaResidualDeltaParameterMatrix, mpDeltaResidualDeltaParameterScaledInterface, mpDeltaResidualDeltaParameterScaledMatrix, mpFisherEigenvaluesMatrix, mpFisherEigenvaluesMatrixInterface, mpFisherEigenvectorsMatrix, mpFisherEigenvectorsMatrixInterface, mpFisherMatrix, mpFisherMatrixInterface, mpFisherScaledEigenvaluesMatrix, mpFisherScaledEigenvaluesMatrixInterface, mpFisherScaledEigenvectorsMatrix, mpFisherScaledEigenvectorsMatrixInterface, mpFisherScaledMatrix, mpFisherScaledMatrixInterface, and pdelete.
CFitConstraint & CFitProblem::addFitConstraint | ( | const CCommonName & | objectCN | ) |
Add a fit constraint to the problem.
const | CCommonName & objectCN |
References CCopasiParameterGroup::addParameter(), CDataObject::getObjectDataModel(), COptProblem::mpGrpConstraints, and COptItem::setObjectCN().
CFitItem & CFitProblem::addFitItem | ( | const CCommonName & | objectCN | ) |
Add a fit item to the problem.
const | CCommonName & objectCN |
References CCopasiParameterGroup::addParameter(), CDataObject::getObjectDataModel(), COptProblem::mpGrpItems, and COptItem::setObjectCN().
bool CFitProblem::calcCov | ( | const CMatrix< C_FLOAT64 > & | fim, |
CMatrix< C_FLOAT64 > & | corr, | ||
CVector< C_FLOAT64 > & | sd, | ||
bool | scale | ||
) |
calculate the inverse of a matrix and normalize it. This is used for calculating the correlation Matric from the FIM, and therefore we can assume a symmetric positive definite matrix The SD of the parameters is also calculated from the diagonal of the covariance if scale is true, the cov matrix will be scaled to unity diagonal elements
References CMatrix< CType >::array(), C_FLOAT64, C_INT, dpotrf_(), dpotri_(), MCFitting, mSD, COptProblem::mWorstValue, CMatrix< CType >::numRows(), CVector< CType >::resize(), and CCopasiMessage::WARNING.
Referenced by calculateStatistics().
void CFitProblem::calcEigen | ( | const CMatrix< C_FLOAT64 > & | fim, |
CMatrix< C_FLOAT64 > & | eigenvalues, | ||
CMatrix< C_FLOAT64 > & | eigenvectors | ||
) |
calculate the Eigenvalues and -vectors for a matrix. This is intended for the FIM, and we assume only real (and positive) eigenvalues
References CMatrix< CType >::array(), CVectorCore< CType >::array(), C_INT, dsyev_(), MCFitting, CMatrix< CType >::numRows(), CMatrix< CType >::resize(), CVector< CType >::resize(), and CCopasiMessage::WARNING.
Referenced by calculateStatistics().
calculate the FIM from the parameter estimation jacobian
References C_FLOAT64, CMatrix< CType >::numCols(), CMatrix< CType >::numRows(), and CMatrix< CType >::resize().
Referenced by calculateStatistics().
void CFitProblem::calcPartialFIM | ( | const CMatrix< C_FLOAT64 > & | jacobian, |
CMatrix< C_FLOAT64 > & | fim, | ||
size_t | a, | ||
size_t | b, | ||
bool | exclude = false |
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) |
calculate the FIM from only a part of the parameter estimation jacobian only columns from a to b-1 are used or excluded, depending on the exclude flag
References C_FLOAT64, CMatrix< CType >::numCols(), CMatrix< CType >::numRows(), and CMatrix< CType >::resize().
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overridevirtual |
Do the calculation based on CalculateVariables and fill CalculateResults with the results.
Reimplemented from COptProblem.
References CMathContainer::applyUpdateSequence(), CMatrix< CType >::array(), CVectorCore< CType >::array(), C_FLOAT64, CTimeSensMethod::copySensitivitiesToResultMatrix(), COptProblem::sCounter::Counter, COptProblem::sCounter::FailedCounterException, COptProblem::sCounter::FailedCounterNaN, CDataArray::getArray(), CMathContainer::getCompleteInitialState(), CExperiment::getDependentData(), CExperiment::getDependentObjectsMap(), CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CExperiment::getExperimentType(), CCopasiMessage::getLastMessage(), CFitItem::getLocalValue(), CCopasiTask::getMethod(), CExperiment::getNumDataRows(), CCopasiTask::getProblem(), CExperiment::getScalingMatrix(), CTimeSensProblem::getTargetsResultAnnotated(), CExperiment::getTimeData(), CExperiment::initExtendedTimeSeries(), max, COptProblem::mCalculateValue, mCompleteInitialState, COptProblem::mCounters, mExperimentConstraints, mExperimentConstraintUpdates, mExperimentDependentValues, mExperimentInitialUpdates, mExperimentValues, COptProblem::mhCounter, mJacTimeSens, COptProblem::mpConstraintItems, CCopasiProblem::mpContainer, mpExperimentSet, mpInitialStateTime, COptProblem::mpOptItems, CCopasiProblem::mProcessReport, mpSteadyState, mpTimeSens, mpTrajectory, mpUseTimeSens, mResiduals, COptProblem::mStoreResults, COptProblem::mWorstValue, CMatrix< CType >::numCols(), CSteadyStateTask::process(), CTimeSensTask::processStart(), CTrajectoryTask::processStart(), CTimeSensTask::processStep(), CTrajectoryTask::processStep(), CProcessReportLevel::progressItem(), CFitConstraint::resetConstraintViolation(), CMathContainer::setCompleteInitialState(), CTaskEnum::steadyState, CExperiment::storeExtendedTimeSeriesData(), CExperiment::sumOfSquares(), CExperiment::sumOfSquaresStore(), CTaskEnum::timeCourse, and CExperiment::updateModelWithIndependentData().
Referenced by calculateStatistics().
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private |
Do the calculation for the cross validation based on the solution variables and determine whether to continue parameter fitting
References CMathContainer::applyUpdateSequence(), CMatrix< CType >::array(), CVectorCore< CType >::array(), C_FLOAT64, checkFunctionalConstraints(), COptProblem::sCounter::Counter, COptProblem::sCounter::FailedCounterException, COptProblem::sCounter::FailedCounterNaN, CMathContainer::getCompleteInitialState(), CExperimentSet::getDataPointCount(), CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CExperiment::getExperimentType(), CCopasiMessage::getLastMessage(), CExperiment::getNumDataRows(), CCopasiTask::getProblem(), CCrossValidationSet::getThreshold(), CExperiment::getTimeData(), CCrossValidationSet::getWeight(), CExperiment::initExtendedTimeSeries(), mCompleteInitialState, COptProblem::mCounters, mCrossValidationConstraints, mCrossValidationConstraintUpdates, mCrossValidationDependentValues, mCrossValidationInitialUpdates, mCrossValidationObjective, mCrossValidationSolutionValue, mExperimentValues, COptProblem::mhCounter, COptProblem::mpConstraintItems, CCopasiProblem::mpContainer, mpCrossValidationSet, mpExperimentSet, mpInitialStateTime, CCopasiProblem::mProcessReport, mpSteadyState, mpTimeSens, mpTrajectory, COptProblem::mSolutionValue, COptProblem::mSolutionVariables, COptProblem::mStoreResults, mThresholdCounter, COptProblem::mWorstValue, CMatrix< CType >::numCols(), CSteadyStateTask::process(), CTimeSensTask::processStart(), CTrajectoryTask::processStart(), CTimeSensTask::processStep(), CTrajectoryTask::processStep(), CProcessReportLevel::progressItem(), CFitConstraint::resetConstraintViolation(), CMathContainer::setCompleteInitialState(), CVectorCore< CType >::size(), CTaskEnum::steadyState, CExperiment::storeExtendedTimeSeriesData(), CExperiment::sumOfSquares(), CExperiment::sumOfSquaresStore(), CTaskEnum::timeCourse, and CExperiment::updateModelWithIndependentData().
Referenced by calculateStatistics(), and setSolution().
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overridevirtual |
Calculate the statistics for the problem
const | C_FLOAT64 & factor (Default: 1.0e-003) |
const | C_FLOAT64 & resolution (Default: 1.0e-009) |
Reimplemented from COptProblem.
References CMatrix< CType >::array(), CVectorCore< CType >::array(), C_FLOAT64, calcCov(), calcEigen(), calcFIM(), calculate(), calculateCrossValidation(), CExperimentSet::calculateStatistics(), CCopasiTimer::calculateValue(), CExperiment::getDependentObjectsMap(), CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CExperiment::getNumDataRows(), CObjectInterface::getObjectDisplayName(), CDataObject::getObjectName(), CExperimentSet::getValidValueCount(), COptProblem::mCalculateValue, MCFitting, COptProblem::mContainerVariables, mCorrelation, COptProblem::mCPUTime, mCrossValidationDependentValues, mCrossValidationRMS, mCrossValidationSD, mCrossValidationSolutionValue, mDeltaResidualDeltaParameter, mDeltaResidualDeltaParameterScaled, mFisher, mFisherEigenvalues, mFisherEigenvectors, mFisherScaled, mFisherScaledEigenvalues, mFisherScaledEigenvectors, COptProblem::mGradient, COptProblem::mHaveStatistics, mJacTimeSens, mParameterSD, mpCrossValidationSet, mpDeltaResidualDeltaParameterMatrix, mpDeltaResidualDeltaParameterScaledMatrix, mpExperimentSet, COptProblem::mpParmCalculateStatistics, mpUseTimeSens, mResiduals, mRMS, mSD, COptProblem::mSolutionValue, COptProblem::mSolutionVariables, COptProblem::mStoreResults, COptProblem::mWorstValue, CDataArray::resize(), CMatrix< CType >::resize(), CVector< CType >::resize(), CDataArray::setAnnotationString(), setResidualsRequired(), CVectorCore< CType >::size(), CCopasiParameterGroup::size(), and CCopasiMessage::WARNING.
Referenced by CFitTask::process().
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overridevirtual |
Check whether all functional constraints are fulfilled.
Reimplemented from COptProblem.
References COptProblem::sCounter::ConstraintCounter, COptProblem::sCounter::FailedConstraintCounter, CFitConstraint::getConstraintViolation(), COptProblem::mCounters, and COptProblem::mpConstraintItems.
Referenced by calculateCrossValidation().
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Create a parameter set with the given name and the current model values
Utility function creating a parameter set for each experiment
References CDataVectorN< CType >::add(), C_INVALID_INDEX, CModelParameterSet::createFromModel(), CDataVectorN< CType >::getIndex(), CMathContainer::getModel(), CModel::getModelParameterSets(), CCopasiProblem::mpContainer, and UTCTimeStamp().
Referenced by createParameterSets().
void CFitProblem::createParameterSets | ( | ) |
References CMathContainer::applyUpdateSequence(), CMatrix< CType >::array(), C_FLOAT64, createParameterSet(), CMathContainer::getCompleteInitialState(), CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CMathContainer::getInitialState(), CFitItem::getLocalValue(), CDataObject::getObjectName(), mExperimentInitialUpdates, mExperimentValues, COptProblem::mInitialRefreshSequence, CCopasiProblem::mpContainer, mpCreateParameterSets, mpExperimentSet, COptProblem::mpOptItems, CMathContainer::pushInitialState(), CMathContainer::setCompleteInitialState(), CMathContainer::setInitialState(), COptProblem::updateContainer(), updateContainer(), and CExperiment::updateModelWithIndependentData().
Referenced by CFitTask::process().
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This methods must be called to elevate subgroups to derived objects. The default implementation does nothing.
Reimplemented from COptProblem.
References CCopasiParameterGroup::assertParameter(), CCopasiParameter::CN, COptProblem::elevateChildren(), CCopasiParameter::getCN(), CExperimentSet::getExperiment(), CCopasiParameterGroup::getGroup(), CDataObject::getObjectAncestor(), CDataObject::getObjectDataModel(), CDataObject::getObjectName(), CCopasiParameterGroup::getParameter(), CDataModel::getTaskList(), CCopasiParameterGroup::getValue(), COptProblem::mpConstraintItems, mpCrossValidationSet, mpExperimentSet, COptProblem::mpOptItems, mpParmSteadyStateCN, mpParmTimeCourseCN, mpParmTimeSensCN, CCopasiParameterGroup::removeParameter(), CDataObject::setObjectName(), CCopasiParameterGroup::setValue(), CDataVector< CType >::size(), CTaskEnum::steadyState, and CTaskEnum::timeCourse.
Referenced by initializeParameter().
void CFitProblem::fixBuild55 | ( | ) |
Fix files written with Version 4.10.55, which wrote the square root of user defined weights for the parameter fitting task
References CExperimentSet::fixBuild55(), mpCrossValidationSet, and mpExperimentSet.
Referenced by CFitTask::fixBuild55().
CDataArray & CFitProblem::getCorrelations | ( | ) | const |
Retrieve the correlations of the solution variables.
References mpCorrelationMatrix.
const bool & CFitProblem::getCreateParameterSets | ( | ) | const |
References mpCreateParameterSets.
const C_FLOAT64 & CFitProblem::getCrossValidationRMS | ( | ) | const |
Retrieve the root mean square of the cross validation solution
References mCrossValidationRMS.
const C_FLOAT64 & CFitProblem::getCrossValidationSD | ( | ) | const |
Retrieve the standard deviation of the cross validation solution
References mCrossValidationSD.
CCrossValidationSet & CFitProblem::getCrossValidationSet | ( | ) |
Retrieve the cross validation set.
References mpCrossValidationSet.
const CCrossValidationSet & CFitProblem::getCrossValidationSet | ( | ) | const |
Retrieve the cross validation set.
References mpCrossValidationSet.
Referenced by CDataModel::copyExperimentalDataTo(), CDataModel::exportCombineArchive(), CDataModel::exportShinyArchive(), and CDataModel::openCombineArchive().
const C_FLOAT64 & CFitProblem::getCrossValidationSolutionValue | ( | ) | const |
Retrieve the result for the cross validation solution
References mCrossValidationSolutionValue.
CExperimentSet & CFitProblem::getExperimentSet | ( | ) |
Retrieve the experiment set.
References mpExperimentSet.
const CExperimentSet & CFitProblem::getExperimentSet | ( | ) | const |
Retrieve the experiment set.
References mpExperimentSet.
Referenced by CDataModel::copyExperimentalDataTo(), COutputAssistant::createDefaultOutput(), CModel::createEventsForTimeseries(), CDataModel::exportCombineArchive(), CDataModel::exportShinyArchive(), CFitTask::initialize(), and CDataModel::openCombineArchive().
CDataArray & CFitProblem::getFisherInformation | ( | ) | const |
Retrieve the Fisher Information Matrix of the solution variables.
References mpFisherMatrix.
CDataArray & CFitProblem::getFisherInformationEigenvalues | ( | ) | const |
Retrieve the Eigenvalues of the Fisher Information Matrix of the solution variables.
References mpFisherEigenvaluesMatrix.
CDataArray & CFitProblem::getFisherInformationEigenvectors | ( | ) | const |
Retrieve the Eigenvectors corresponding to the Eigenvalues of the Fisher Information Matrix of the solution variables.
References mpFisherEigenvectorsMatrix.
CDataArray & CFitProblem::getParameterEstimationJacobian | ( | ) | const |
Retrieve the Jacobian of the parameter estimation.
References mpDeltaResidualDeltaParameterMatrix.
Retrieve the vector of residuals
References mResiduals.
Referenced by COptMethodSteepestDescent::gradient(), COptMethodLevenbergMarquardt::hessian(), COptMethodLevenbergMarquardt::initialize(), COptMethodNL2SOL::initialize(), and COptMethodTruncatedNewton::sFun().
const C_FLOAT64 & CFitProblem::getRMS | ( | ) | const |
CDataArray & CFitProblem::getScaledFisherInformation | ( | ) | const |
Retrieve the scaled Fisher Information Matrix of the solution variables.
References mpFisherScaledMatrix.
CDataArray & CFitProblem::getScaledFisherInformationEigenvalues | ( | ) | const |
Retrieve the Eigenvalues of the scaled Fisher Information Matrix of the solution variables.
References mpFisherScaledEigenvaluesMatrix.
CDataArray & CFitProblem::getScaledFisherInformationEigenvectors | ( | ) | const |
Retrieve the Eigenvectors corresponding to the Eigenvalues of the scaled Fisher Information Matrix of the solution variables.
References mpFisherScaledEigenvectorsMatrix.
CDataArray & CFitProblem::getScaledParameterEstimationJacobian | ( | ) | const |
Retrieve the scaled Jacobian of the parameter estimation. It is scaled by parameter values
References mpDeltaResidualDeltaParameterScaledMatrix.
const C_FLOAT64 & CFitProblem::getStdDeviation | ( | ) | const |
Retrieve the std. deviation of the objective value.
References mSD.
References mJacTimeSens.
References mJacTimeSens.
Referenced by COptMethodSteepestDescent::gradient(), COptMethodLevenbergMarquardt::hessian(), and COptMethodTruncatedNewton::sFun().
const bool & CFitProblem::getUseTimeSens | ( | ) | const |
References mpUseTimeSens.
Referenced by COptMethodSteepestDescent::gradient(), COptMethodLevenbergMarquardt::hessian(), and COptMethodTruncatedNewton::sFun().
Retrieve the std. deviation for each solution variable.
References mParameterSD.
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Do all necessary initialization so that calls to calculate will be successful. This is called once from CCopasiTask::process()
Reimplemented from COptProblem.
References CTimeSensProblem::addParameterCN(), CTimeSensProblem::addTargetCN(), CVectorCore< CType >::array(), C_FLOAT64, C_INVALID_INDEX, CTimeSensProblem::clearParameterCNs(), CTimeSensProblem::clearTargetCNs(), CExperimentSet::compile(), CTaskFactory::copy(), CCore::Default, fatalError, CMathContainer::getCompleteInitialState(), CMathContainer::getCountFixed(), CMathContainer::getCountFixedEventTargets(), CFitItem::getCrossValidation(), CFitItem::getCrossValidationCount(), CExperimentSet::getDataPointCount(), CExperimentSet::getDependentObjects(), CExperimentSet::getExperiment(), CFitItem::getExperiment(), CExperimentSet::getExperimentCount(), CFitItem::getExperimentCount(), CFitItem::getExperiments(), CCopasiMessage::getHighestSeverity(), CExperiment::getIndependentObjects(), CMathContainer::getInitialDependencies(), CMathContainer::getInitialState(), CMathContainer::getInitialStateObjects(), CCopasiMessage::getLastMessage(), CFitItem::getLocalValue(), COptItem::getObject(), CDataObject::getObjectAncestor(), COptItem::getObjectDisplayName(), CObjectInterface::GetObjectFromCN(), CCopasiTask::getProblem(), CMathContainer::getSimulationUpToDateObjects(), CMathContainer::getStateObjects(), CMathContainer::getTransientDependencies(), CMathDependencyGraph::getUpdateSequence(), CObjectInterface::getValuePointer(), CExperimentSet::hasDataForTaskType(), COptProblem::initialize(), CTimeSensTask::initialize(), CTrajectoryTask::initialize(), CSteadyStateTask::initialize(), CCopasiParameterGroup::insert(), CExperimentSet::keyToIndex(), MCCopasiMessage, mCompleteInitialState, COptProblem::mContainerVariables, COptProblem::mContainerVariablesAlgorithm, MCOptimization, mCorrelation, mCrossValidationConstraints, mCrossValidationConstraintUpdates, mCrossValidationDependentValues, mCrossValidationInitialUpdates, mCrossValidationObjective, mCrossValidationValues, mDeltaResidualDeltaParameter, mDeltaResidualDeltaParameterScaled, mExperimentConstraints, mExperimentConstraintUpdates, mExperimentDependentValues, mExperimentInitialUpdates, mExperimentValues, mFisher, mFisherEigenvalues, mFisherEigenvectors, mFisherScaled, mFisherScaledEigenvalues, mFisherScaledEigenvectors, COptProblem::mHaveStatistics, mJacTimeSens, COptProblem::mOptItemAlgorithm, COptProblem::mpConstraintItems, CCopasiProblem::mpContainer, mpCorrelationMatrix, mpCrossValidationSet, mpDeltaResidualDeltaParameterMatrix, mpDeltaResidualDeltaParameterScaledMatrix, mpExperimentSet, mpFisherEigenvaluesMatrix, mpFisherEigenvectorsMatrix, mpFisherMatrix, mpFisherScaledEigenvaluesMatrix, mpFisherScaledEigenvectorsMatrix, mpFisherScaledMatrix, mpInitialStateTime, COptProblem::mpOptItems, mpParmSteadyStateCN, mpParmTimeCourseCN, mpParmTimeSensCN, CCopasiProblem::mProcessReport, mpSteadyState, mpTimeSens, mpTrajectory, mpUseTimeSens, COptProblem::mSolutionVariables, COptProblem::mStoreResults, mThresholdCounter, COptProblem::mWorstValue, CCopasiTask::NO_OUTPUT, pdelete, CCopasiMessage::peekLastMessage(), CDataArray::resize(), CMatrix< CType >::resize(), CVector< CType >::resize(), CDataArray::setAnnotationString(), CCopasiTask::setCallBack(), CCopasiTask::setMathContainer(), setResidualsRequired(), COptProblem::setSubtaskType(), CCopasiTask::setUpdateModel(), CVectorCore< CType >::size(), CTaskEnum::steadyState, CTaskEnum::timeCourse, CTaskEnum::timeSens, CFitItem::updateBounds(), CCore::UpdateMoieties, and CCopasiMessage::WARNING.
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Allocates all group parameters and assures that they are properly initialized.
References CCopasiParameterGroup::assertGroup(), CCopasiParameterGroup::assertParameter(), CCopasiParameter::BOOL, CCopasiParameter::CN, elevateChildren(), mpCreateParameterSets, COptProblem::mpParmMaximize, COptProblem::mpParmObjectiveExpression, mpParmSteadyStateCN, COptProblem::mpParmSubTaskCN, mpParmTimeCourseCN, mpParmTimeSensCN, mpUseTimeSens, and CCopasiParameterGroup::removeParameter().
Referenced by CFitProblem().
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Initialize objects
References CDataContainer::addObjectReference(), mCorrelation, mCrossValidationObjective, mCrossValidationRMS, mCrossValidationSD, mCrossValidationSolutionValue, mDeltaResidualDeltaParameter, mDeltaResidualDeltaParameterScaled, mFisher, mFisherEigenvalues, mFisherEigenvectors, mFisherScaled, mFisherScaledEigenvalues, mFisherScaledEigenvectors, mpCorrelationMatrix, mpCorrelationMatrixInterface, mpDeltaResidualDeltaParameterInterface, mpDeltaResidualDeltaParameterMatrix, mpDeltaResidualDeltaParameterScaledInterface, mpDeltaResidualDeltaParameterScaledMatrix, mpFisherEigenvaluesMatrix, mpFisherEigenvaluesMatrixInterface, mpFisherEigenvectorsMatrix, mpFisherEigenvectorsMatrixInterface, mpFisherMatrix, mpFisherMatrixInterface, mpFisherScaledEigenvaluesMatrix, mpFisherScaledEigenvaluesMatrixInterface, mpFisherScaledEigenvectorsMatrix, mpFisherScaledEigenvectorsMatrixInterface, mpFisherScaledMatrix, mpFisherScaledMatrixInterface, mRMS, mSD, CDataArray::Numbers, CDataArray::setDescription(), CDataArray::setDimensionDescription(), CDataArray::setMode(), CDataArray::Strings, and CDataObject::ValueDbl.
Referenced by CFitProblem().
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This is the output method for any object. The default implementation provided with CDataObject uses the ostream operator<< of the object to print the object.To override this default behavior one needs to reimplement the virtual print function.
std::ostream | * ostream |
Reimplemented from COptProblem.
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This is the output method for any result of a problem. The default implementation provided with CCopasiProblem. Does only print "Not implemented." To override this default behavior one needs to reimplement the virtual printResult function.
std::ostream | * ostream |
Reimplemented from COptProblem.
References C_FLOAT64, COptProblem::sCounter::Counter, CKeyFactory::get(), CCopasiTimer::getElapsedTime(), CExperimentSet::getExperiment(), CFitItem::getExperiment(), CExperimentSet::getExperimentCount(), CFitItem::getExperimentCount(), CRootContainer::getKeyFactory(), CCopasiTimeVariable::getMilliSeconds(), CCopasiParameter::getObjectDisplayName(), CDataObject::getObjectName(), CCopasiTimeVariable::getSeconds(), CCopasiTimeVariable::LL2String(), mCorrelation, COptProblem::mCounters, COptProblem::mCPUTime, mFisher, mFisherEigenvalues, mFisherEigenvectors, mFisherScaled, mFisherScaledEigenvalues, mFisherScaledEigenvectors, COptProblem::mGradient, COptProblem::mHaveStatistics, mParameterSD, mpExperimentSet, COptProblem::mpOptItems, COptProblem::mpParmCalculateStatistics, mSD, COptProblem::mSolutionValue, COptProblem::mSolutionVariables, CExperiment::printResult(), and CVectorCore< CType >::size().
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Do all necessary restore procedures so that the model is in the same state as before
const | bool & updateModel |
Reimplemented from COptProblem.
References CExperimentSet::getExperiment(), mpExperimentSet, COptProblem::mSolutionValue, COptProblem::mWorstValue, and CCopasiParameterGroup::size().
bool CFitProblem::restore | ( | const bool & | updateModel, |
CExperiment * | pExp | ||
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References CMathContainer::applyUpdateSequence(), CMatrix< CType >::array(), C_FLOAT64, C_INVALID_INDEX, CCopasiParameterGroup::getIndex(), CFitItem::getLocalValue(), mExperimentInitialUpdates, mExperimentValues, CCopasiProblem::mpContainer, mpExperimentSet, COptProblem::mpOptItems, mpSteadyState, mpTimeSens, mpTrajectory, CMathContainer::pushInitialState(), COptProblem::restore(), CCopasiTask::restore(), CSteadyStateTask::restore(), and CExperiment::updateModelWithIndependentData().
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Set the call back of the problem
CProcessReport | * pCallBack |
Reimplemented from COptProblem.
References CCopasiProblem::mProcessReport, mpSteadyState, mpTimeSens, mpTrajectory, CCopasiTask::setCallBack(), and COptProblem::setCallBack().
void CFitProblem::setCreateParameterSets | ( | const bool & | create | ) |
Sets the 'Create Parameter Sets' parameter. When set it will create new model parameter sets for each experiment after a run.
References mpCreateParameterSets.
bool CFitProblem::setResidualsRequired | ( | const bool & | required | ) |
Set residual required
const | bool & required |
References CExperimentSet::getDataPointCount(), mpExperimentSet, mResiduals, CVector< CType >::resize(), and CVectorCore< CType >::size().
Referenced by calculateStatistics(), COptMethodLevenbergMarquardt::initialize(), COptMethodNL2SOL::initialize(), COptMethodSteepestDescent::initialize(), COptMethodTruncatedNewton::initialize(), and initialize().
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Set the solution.
const | C_FLOAT64 & value |
const | CVector< C_FLOAT64 > & variables |
const | bool & algorithmOrder (default: false) |
Reimplemented from COptProblem.
References CVectorCore< CType >::begin(), C_FLOAT64, calculateCrossValidation(), CVectorCore< CType >::end(), CExperimentSet::getExperimentCount(), COptProblem::mContainerVariables, mpCrossValidationSet, COptProblem::mSolutionVariables, and COptProblem::setSolution().
void CFitProblem::setUseTimeSens | ( | bool | value | ) |
References mpUseTimeSens.
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Do all necessary restore procedures for the container is in the same state as before or the new state if update is true.
const | bool & update |
Reimplemented from COptProblem.
References CMatrix< CType >::array(), C_FLOAT64, CExperimentSet::getExperiment(), CExperimentSet::getExperimentCount(), CFitItem::getLocalValue(), mExperimentValues, mpExperimentSet, COptProblem::mpOptItems, and COptProblem::updateContainer().
Referenced by createParameterSets().
void CFitProblem::updateInitialState | ( | ) |
Fetch a new initial state from the model.
References CMathContainer::getCompleteInitialState(), mCompleteInitialState, and CCopasiProblem::mpContainer.
Referenced by CFitTask::process().
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The initial state of the model prior to any modification
Referenced by calculate(), calculateCrossValidation(), initialize(), and updateInitialState().
The parameter correlation matrix
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
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Matrix of constraints for each experiment.
Referenced by calculateCrossValidation(), and initialize().
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A vector of refresh methods which contains the sequence of refresh methods to update the constraint values for each cross validation.
Referenced by calculateCrossValidation(), and initialize().
The simulation values for the experiments.
Referenced by calculateCrossValidation(), calculateStatistics(), and initialize().
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A vector of refresh methods which contains the sequence of refresh methods to update the initial values for each cross validation.
Referenced by calculateCrossValidation(), and initialize().
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The objective value of the cross validation used to determine when to stop parameter estimation due to overfitting
Referenced by calculateCrossValidation(), initialize(), and initObjects().
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The RMS of the cross validation set.
Referenced by calculateStatistics(), getCrossValidationRMS(), and initObjects().
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The standard deviation of the cross validation set.
Referenced by calculateStatistics(), getCrossValidationSD(), and initObjects().
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The objective value of the cross validation set.
Referenced by calculateCrossValidation(), calculateStatistics(), getCrossValidationSolutionValue(), and initObjects().
Matrix of update methods for items for each cross validation.
Referenced by initialize().
the Jacobian of tha parameter estimation, i.e. the derivatives of the residuals with respect to the parameters
Referenced by calculateStatistics(), initialize(), and initObjects().
the scaled Jacobian of tha parameter estimation, i.e. the derivatives of the residuals with respect to the parameters, scaled by parameter value
Referenced by calculateStatistics(), initialize(), and initObjects().
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Matrix of constraints for each experiment.
Referenced by calculate(), and initialize().
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A vector of refresh methods which contains the sequence of refresh methods to update the constraint values for each experiment.
Referenced by calculate(), and initialize().
The simulation values for the experiments.
Referenced by calculate(), and initialize().
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A vector of refresh methods which contains the sequence of refresh methods to update the initial values for each experiment.
Referenced by calculate(), createParameterSets(), initialize(), and restore().
Pointer to the values which need to be updated for each experiment.
Referenced by calculate(), calculateCrossValidation(), createParameterSets(), initialize(), restore(), and updateContainer().
The Fisher information or parameter correlation matrix
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
The Fisher information Matrix Eigenvalues and corresponding Eigenvectors
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
The Fisher information or parameter correlation matrix scaled to parameter values
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
The scaled Fisher information Matrix Eigenvalues and corresponding Eigenvectors
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
Referenced by calculateStatistics(), initialize(), initObjects(), and printResult().
Referenced by calculate(), calculateStatistics(), getTimeSensJac(), and initialize().
The vector of standard deviations of the parameters
Referenced by calculateStatistics(), getVariableStdDeviations(), and printResult().
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Referenced by getCorrelations(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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A pointer to the value of the CCopasiParameter holding Create Parameter Sets
Referenced by createParameterSets(), getCreateParameterSets(), initializeParameter(), and setCreateParameterSets().
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The experiment set to which the model is fitted.
Referenced by calculateCrossValidation(), calculateStatistics(), elevateChildren(), fixBuild55(), getCrossValidationSet(), initialize(), and setSolution().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by calculateStatistics(), getParameterEstimationJacobian(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by calculateStatistics(), getScaledParameterEstimationJacobian(), initialize(), initObjects(), and ~CFitProblem().
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The experiment set to which the model is fitted.
Referenced by calculate(), calculateCrossValidation(), calculateStatistics(), createParameterSets(), elevateChildren(), fixBuild55(), getExperimentSet(), initialize(), printResult(), restore(), setResidualsRequired(), and updateContainer().
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Referenced by getFisherInformationEigenvalues(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by getFisherInformationEigenvectors(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by getFisherInformation(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by getScaledFisherInformationEigenvalues(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by getScaledFisherInformationEigenvectors(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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Referenced by getScaledFisherInformation(), initialize(), initObjects(), and ~CFitProblem().
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Referenced by initObjects(), and ~CFitProblem().
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A pointer to the time of the container
Referenced by calculate(), calculateCrossValidation(), and initialize().
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A pointer to the value of the CCopasiParameter holding the Steady-State CN
Referenced by elevateChildren(), initialize(), and initializeParameter().
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A pointer to the value of the CCopasiParameter holding the Time Course CN
Referenced by elevateChildren(), initialize(), and initializeParameter().
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Referenced by elevateChildren(), initialize(), and initializeParameter().
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Pointer to CSteadyStateTask. To be used in calculate() to select between trajectory and steady state method
Referenced by calculate(), calculateCrossValidation(), initialize(), restore(), and setCallBack().
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Referenced by calculate(), calculateCrossValidation(), initialize(), restore(), and setCallBack().
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Pointer to CTrajectory. To be used in calculate() to select between trajectory and steady state method
Referenced by calculate(), calculateCrossValidation(), initialize(), restore(), and setCallBack().
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A flag indicating whether or not to use time sens task
Referenced by calculate(), calculateStatistics(), getUseTimeSens(), initialize(), initializeParameter(), and setUseTimeSens().
Matrix of the residuals.
Referenced by calculate(), calculateStatistics(), getResiduals(), and setResidualsRequired().
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The root mean square of the solution
Referenced by calculateStatistics(), getRMS(), and initObjects().
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The standard deviation of the solution
Referenced by calcCov(), calculateStatistics(), getStdDeviation(), initObjects(), and printResult().
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A counter to determine whether the threshold is reached.
Referenced by calculateCrossValidation(), and initialize().