//------------------------------------
void simulationManager::idle( float dt ){
for (int i = 0; i < NUM_PARTICLES; i++){
memcpy(PTStemp[i],PM->PTS[i],sizeof(particle));
PTStemp[i]->frc = 0;
}
// simulate the copy using different types of simulations
int simulation = 1;
switch (simulation){
case 0:
calculateForces();
calculateDerivatives();
addDerivativesToReal(dt);
break;
case 1:
calculateForces();
calculateDerivatives();
addDerivativesToTemp(0.5f,dt);
// reset the forces!
for (int i = 0; i < NUM_PARTICLES; i++){
PTStemp[i]->frc = 0;
}
calculateForces();
calculateDerivatives();
addDerivativesToReal(dt);
break;
}
}
/** Calculate the derivatives for each spectrum in the input workspace
*
* @param index :: index of the spectrum
* @param order :: order of derivatives to calculate
*/
void SplineSmoothing::calculateSpectrumDerivatives(const int index,
const int order) {
if (order > 0) {
API::MatrixWorkspace_sptr derivs =
setupOutputWorkspace(m_inputWorkspace, order);
for (int j = 0; j < order; ++j) {
derivs->setSharedX(j, m_inputWorkspace->sharedX(index));
calculateDerivatives(*m_inputWorkspacePointData, *derivs, j + 1, index);
}
m_derivativeWorkspaceGroup->addWorkspace(derivs);
}
}
void BrooksCorey2p::calculateDerivativesHead(const Vec& psiW_vec, const Vec& psiN_vec)
{
for(int i=0; i<psiW_vec.ldim(); i++)
{
setHeads(i,psiW_vec[i],psiN_vec[i]);
calculateDerivatives();
(*thetaW_p)[i] = thetaW;
(*DthetaW_DpC_p)[i] = DthetaW_DpC;
(*krW_p)[i] = krW;
(*DkrW_DpC_p)[i] = DkrW_DpC;
if (DDthetaW_DDpC_p)
(*DDthetaW_DDpC_p)[i]=DDthetaW_DDpC;
if (krN_p)
{
(*krN_p)[i]=krN;
(*DkrN_DpC_p)[i]=DkrN_DpC;
}
}
}
