copasi API
0.1
|
#include <CTrajectoryMethodDsaLsodar.h>
Classes | |
class | CPartition |
class | CReactionDependencies |
Public Member Functions | |
CTrajectoryMethodDsaLsodar (const CTrajectoryMethodDsaLsodar &src, const CCopasiContainer *pParent=NULL) | |
~CTrajectoryMethodDsaLsodar () | |
virtual bool | elevateChildren () |
virtual void | stateChanged () |
virtual Status | step (const double &deltaT) |
virtual void | start (const CState *initialState) |
virtual void | evalF (const C_FLOAT64 *t, const C_FLOAT64 *y, C_FLOAT64 *ydot) |
virtual void | evalR (const C_FLOAT64 *t, const C_FLOAT64 *y, const C_INT *nr, C_FLOAT64 *r) |
virtual bool | isValidProblem (const CCopasiProblem *pProblem) |
void | cleanup () |
virtual C_FLOAT64 | doSingleStep (C_FLOAT64 currentTime, C_FLOAT64 endTime) |
void | integrateDeterministicPart (const C_FLOAT64 &deltaT) |
void | fireReaction (const size_t &index) |
void | calculateAmu (const size_t &index) |
void | calculatePropensities () |
Protected Member Functions | |
CTrajectoryMethodDsaLsodar (const CCopasiMethod::SubType &subType=DsaLsodar, const CCopasiContainer *pParent=NULL) | |
Protected Attributes | |
unsigned C_INT32 * | mpMaxSteps |
C_FLOAT64 * | mpLowerLimit |
C_FLOAT64 * | mpUpperLimit |
unsigned C_INT32 * | mpPartitioningInterval |
C_FLOAT64 * | mpPartitioningSteps |
CRandom * | mpRandomGenerator |
unsigned C_INT32 | mFirstReactionSpeciesIndex |
bool | mMaxStepsReached |
unsigned C_INT32 | mStepsAfterPartitionSystem |
size_t | mNumReactions |
C_FLOAT64 | mNextReactionTime |
unsigned C_INT32 | mNextReactionIndex |
bool | mDoCorrection |
CVector< C_FLOAT64 > | mAmu |
C_FLOAT64 | mA0 |
std::vector < CReactionDependencies > | mReactionDependencies |
CPartition | mPartition |
Friends | |
CTrajectoryMethod * | CTrajectoryMethod::createTrajectoryMethod (CCopasiMethod::SubType subType, CTrajectoryProblem *pProblem) |
CTrajectoryMethodDsaLsodar::CTrajectoryMethodDsaLsodar | ( | const CCopasiMethod::SubType & | subType = DsaLsodar , |
const CCopasiContainer * | pParent = NULL |
||
) | [protected] |
Default constructor.
const | CCopasiMethod::SubType & subType (default: DsaLsodar) |
const | CCopasiContainer * pParent (default: NULL) |
Default constructor.
CTrajectoryMethodDsaLsodar::CTrajectoryMethodDsaLsodar | ( | const CTrajectoryMethodDsaLsodar & | src, |
const CCopasiContainer * | pParent = NULL |
||
) |
Copy constructor
const | CTrajectoryMethodDsaLsodar & src |
const | CCopasiContainer * pParent (default: NULL) |
CTrajectoryMethodDsaLsodar::~CTrajectoryMethodDsaLsodar | ( | ) |
Destructor.
void CTrajectoryMethodDsaLsodar::calculateAmu | ( | const size_t & | index | ) |
Calculates an amu value for a given reaction.
const | size_t & index |
void CTrajectoryMethodDsaLsodar::calculatePropensities | ( | ) |
Calculate the propensities of all stochastic reactions
void CTrajectoryMethodDsaLsodar::cleanup | ( | ) |
Cleans up memory, etc.
C_FLOAT64 CTrajectoryMethodDsaLsodar::doSingleStep | ( | C_FLOAT64 | currentTime, |
C_FLOAT64 | endTime | ||
) | [virtual] |
bool CTrajectoryMethodDsaLsodar::elevateChildren | ( | ) | [virtual] |
This methods must be called to elevate subgroups to derived objects. The default implementation does nothing.
Reimplemented from CLsodaMethod.
void CTrajectoryMethodDsaLsodar::evalF | ( | const C_FLOAT64 * | t, |
const C_FLOAT64 * | y, | ||
C_FLOAT64 * | ydot | ||
) | [virtual] |
This evaluates the derivatives
Reimplemented from CLsodaMethod.
void CTrajectoryMethodDsaLsodar::evalR | ( | const C_FLOAT64 * | t, |
const C_FLOAT64 * | y, | ||
const C_INT * | nr, | ||
C_FLOAT64 * | r | ||
) | [virtual] |
This evaluates the roots
Reimplemented from CLsodaMethod.
void CTrajectoryMethodDsaLsodar::fireReaction | ( | const size_t & | index | ) |
Executes the specified reaction in the system once.
const | size_t & index |
Executes the specified reaction in the system once.
index | A C_INT32 specifying the index of the reaction, which will be fired. |
time | The current time |
void CTrajectoryMethodDsaLsodar::integrateDeterministicPart | ( | const C_FLOAT64 & | deltaT | ) |
Integrates the deterministic reactions of the system over the specified time interval.
const | C_FLOAT64 & deltaT. |
bool CTrajectoryMethodDsaLsodar::isValidProblem | ( | const CCopasiProblem * | pProblem | ) | [virtual] |
Check if the method is suitable for this problem
Reimplemented from CTrajectoryMethod.
void CTrajectoryMethodDsaLsodar::start | ( | const CState * | initialState | ) | [virtual] |
This instructs the method to prepare for integration starting with the initialState given.
const CState * | initialState |
Reimplemented from CLsodaMethod.
void CTrajectoryMethodDsaLsodar::stateChanged | ( | ) | [virtual] |
Inform the trajectory method that the state has changed outside its control
Reimplemented from CLsodaMethod.
CTrajectoryMethod::Status CTrajectoryMethodDsaLsodar::step | ( | const double & | deltaT | ) | [virtual] |
This instructs the method to calculate a time step of deltaT starting with the current state, i.e., the result of the previous step. The new state (after deltaT) is expected in the current state. The return value is the actual time step taken.
const double & | deltaT |
Reimplemented from CLsodaMethod.
CTrajectoryMethod* CTrajectoryMethod::createTrajectoryMethod | ( | CCopasiMethod::SubType | subType, |
CTrajectoryProblem * | pProblem | ||
) | [friend] |
Reimplemented from CLsodaMethod.
C_FLOAT64 CTrajectoryMethodDsaLsodar::mA0 [protected] |
Total propensity (sum over mAmu[i])
CVector< C_FLOAT64 > CTrajectoryMethodDsaLsodar::mAmu [protected] |
A vector of reaction propensities
bool CTrajectoryMethodDsaLsodar::mDoCorrection [protected] |
A boolean flag indicating whether correction for higher order reactions need to be applied
unsigned C_INT32 CTrajectoryMethodDsaLsodar::mFirstReactionSpeciesIndex [protected] |
Index of the first species determined by reactions in CState
bool CTrajectoryMethodDsaLsodar::mMaxStepsReached [protected] |
unsigned C_INT32 CTrajectoryMethodDsaLsodar::mNextReactionIndex [protected] |
The index of the next reaction which fires
C_FLOAT64 CTrajectoryMethodDsaLsodar::mNextReactionTime [protected] |
The time the next reaction fires
size_t CTrajectoryMethodDsaLsodar::mNumReactions [protected] |
The particle and reaction numbers
CPartition CTrajectoryMethodDsaLsodar::mPartition [protected] |
The partition of the system
C_FLOAT64* CTrajectoryMethodDsaLsodar::mpLowerLimit [protected] |
Pointer to the method parameter "Lower Limit"
unsigned C_INT32* CTrajectoryMethodDsaLsodar::mpMaxSteps [protected] |
Pointer to the method parameter "Max Internal Steps"
unsigned C_INT32* CTrajectoryMethodDsaLsodar::mpPartitioningInterval [protected] |
Pointer to the method parameter "Partitioning Interval"
C_FLOAT64* CTrajectoryMethodDsaLsodar::mpPartitioningSteps [protected] |
Pointer to the method parameter "Partitioning Stepsize"
CRandom* CTrajectoryMethodDsaLsodar::mpRandomGenerator [protected] |
The random number generator.
C_FLOAT64* CTrajectoryMethodDsaLsodar::mpUpperLimit [protected] |
Pointer to the method parameter "Upper Limit"
std::vector< CReactionDependencies > CTrajectoryMethodDsaLsodar::mReactionDependencies [protected] |
A vector containing dependency information to minimize the required updates.
unsigned C_INT32 CTrajectoryMethodDsaLsodar::mStepsAfterPartitionSystem [protected] |
Number of elementary steps after the last partitioning.