StructureAdapterPtr
createStructureAdapter(const ObjCryst::Crystal& cryst)
{
const double radtodeg = 180 / M_PI;
CrystalStructureAdapterPtr adpt(new CrystalStructureAdapter);
adpt->setLatPar(
cryst.GetLatticePar(0),
cryst.GetLatticePar(1),
cryst.GetLatticePar(2),
radtodeg * cryst.GetLatticePar(3),
radtodeg * cryst.GetLatticePar(4),
radtodeg * cryst.GetLatticePar(5));
// find out number of scatterers in the asymmetric unit
const ObjCryst::ScatteringComponentList& scl =
cryst.GetScatteringComponentList();
size_t nbComponent = scl.GetNbComponent();
adpt->reserve(nbComponent);
Atom ai;
const Lattice& L = adpt->getLattice();
for (size_t i = 0; i < nbComponent; ++i)
{
const ObjCryst::ScatteringComponent& sc = scl(i);
const ObjCryst::ScatteringPower* sp = sc.mpScattPow;
// Skip over this if it is a dummy atom. A dummy atom has no
// mpScattPow, and therefore no type. It's just in a structure as a
// reference position.
if (sp == NULL) continue;
ai.occupancy = sc.mOccupancy;
ai.anisotropy = !(sp->IsIsotropic());
ai.atomtype = sp->GetSymbol();
R3::Vector xyz(sc.mX, sc.mY, sc.mZ);
ai.xyz_cartn = L.cartesian(xyz);
// Store Uij
R3::Matrix uijl = getUij(sp);
ai.uij_cartn = ai.anisotropy ? L.cartesianMatrix(uijl) : uijl;
adpt->append(ai);
}
const ObjCryst::SpaceGroup& spacegroup = cryst.GetSpaceGroup();
CrystalStructureAdapter::SymOpVector symops =
fetchSymmetryOperations(spacegroup);
CrystalStructureAdapter::SymOpVector::const_iterator op;
for (op = symops.begin(); op != symops.end(); ++op) adpt->addSymOp(*op);
adpt->updateSymmetryPositions();
return adpt;
}
StructureAdapterPtr
createStructureAdapter(const ObjCryst::Molecule& molecule)
{
AtomicStructureAdapterPtr adpt(new AtomicStructureAdapter);
size_t nbComponent = molecule.GetNbComponent();
adpt->reserve(nbComponent);
Atom ai;
for (size_t i = 0; i < nbComponent; ++i)
{
const ObjCryst::MolAtom& atom = molecule.GetAtom(i);
if (atom.IsDummy()) continue;
ai.occupancy = atom.GetOccupancy();
const ObjCryst::ScatteringPower* sp = &(atom.GetScatteringPower());
ai.anisotropy = !(sp->IsIsotropic());
ai.atomtype = sp->GetSymbol();
ai.xyz_cartn[0] = atom.X();
ai.xyz_cartn[1] = atom.Y();
ai.xyz_cartn[2] = atom.Z();
// Store Uij
ai.uij_cartn = getUij(sp);
adpt->append(ai);
}
return adpt;
}
void vpTemplateTracker::computeOptimalBrentGain(const vpImage<unsigned char> &I,vpColVector &tp,double tMI,vpColVector &direction,double &alpha)
{
vpColVector **ptp;
ptp=new vpColVector*[4];
vpColVector p0(nbParam);
p0=tp;
//valeur necessaire si conditionnel
vpColVector dpt(Warp->getNbParam());
vpColVector adpt(Warp->getNbParam());
vpColVector p1(nbParam);
if(useCompositionnal)
{
if(useInverse)
Warp->getParamInverse(direction,dpt);
else
dpt=direction;
Warp->pRondp(tp,dpt,p1);
}
else
{
p1=tp+direction;
}
vpColVector p2(nbParam);
if(useCompositionnal)
{
adpt=alpha*direction;
if(useInverse)
Warp->getParamInverse(adpt,dpt);
else
dpt=adpt;
Warp->pRondp(tp,dpt,p2);
}
else
{
p2=tp+alpha*direction;
}
vpColVector p3(nbParam);
ptp[0]=&p0;
ptp[1]=&p1;
ptp[2]=&p2;
ptp[3]=&p3;
double *Cost=new double[4];
//Cost[0]=getCost(I,p0);
Cost[0]=tMI;
Cost[1]=getCost(I,p1);
Cost[2]=getCost(I,p2);
double *talpha=new double[4];
talpha[0]=0;
talpha[1]=1.;
talpha[2]=alpha;
//for(int i=0;i<3;i++)
// std::cout<<"alpha["<<i<<"] = "<<talpha[i]<<" Cost["<<i<<"] = "<<Cost[i]<<std::endl;
//Utilise trois estimï¿œes de paraboles succesive ...
//A changer pour rendre adaptable
for(unsigned int opt=0;opt<nbIterBrent;opt++)
{
//double a=talpha[0];
//double b=talpha[1];
//double c=talpha[2];
//double Cost0=Cost[0];
//double Cost1=Cost[1];
//double Cost2=Cost[2];
vpMatrix A(3,3);
for(unsigned int i=0;i<3;i++){A[i][0]=talpha[i]*talpha[i];A[i][1]=talpha[i];A[i][2]=1.;}
//std::cout<<"A="<<A<<std::endl;
vpColVector B(3);for(unsigned int i=0;i<3;i++)B[i]=Cost[i];
vpColVector parabol(3);parabol=(A.t()*A).inverseByLU()*A.t()*B;
//vpColVector parabol(3);parabol=A.pseudoInverse()*B;
//si convexe
if(parabol[0]>0)
{
talpha[3]=-0.5*parabol[1]/parabol[0];
//std::cout<<"parabol = "<<parabol<<std::endl;
//std::cout<<"convexe talpha = "<<talpha[3]<<std::endl;
}
else//si concave
{
int tindic_x_min=0;
int tindic_x_max=0;
for(int i=1;i<3;i++)
{
if(talpha[i]<talpha[tindic_x_min])
tindic_x_min=i;
if(talpha[i]>talpha[tindic_x_max])
tindic_x_max=i;
}
if(Cost[tindic_x_max]<Cost[tindic_x_min])
{
//talpha[3]=talpha[tindic_x_max]+1.;
talpha[3]=talpha[tindic_x_max]+1.;
/*if(talpha[tindic_x_min]>talpha[tindic_x_max])
talpha[3]=talpha[tindic_x_min]+1.;
else
talpha[3]=talpha[tindic_x_min]-1.;*/
}
else
{
//talpha[3]=talpha[tindic_x_min]-1.;
talpha[3]=talpha[tindic_x_min]-1.;
/*if(talpha[tindic_x_min]<talpha[tindic_x_max])
talpha[3]=talpha[tindic_x_max]+1.;
else
talpha[3]=talpha[tindic_x_max]-1.;*/
}
//std::cout<<"concave talpha="<<talpha[3]<<std::endl;
}
//std::cout<<"talpha="<<talpha[3]<<std::endl;
int indic_x_min=0;
int indic_x_max=0;
for(int i=1;i<3;i++)
{
if(talpha[i]<talpha[indic_x_min])
indic_x_min=i;
if(talpha[i]>talpha[indic_x_max])
indic_x_max=i;
}
//std::cout<<"talpha = "<<talpha[3]<<std::endl;
if(talpha[3]>talpha[indic_x_max])
if((talpha[3]-talpha[indic_x_max])>alpha)talpha[3]=talpha[indic_x_max]+4.;
if(talpha[3]<talpha[indic_x_min])
if((talpha[indic_x_min]-talpha[3])>alpha)talpha[3]=talpha[indic_x_min]-4.;
/*if(((b-a)*(Cost1-Cost2)-(b-c)*(Cost1-Cost0))==0)
{Cost[3]=1000;break;}
//calcul du gain correspondant au minimum de la parabole estimï¿œe
talpha[3]=b-0.5*((b-a)*(b-a)*(Cost1-Cost2)-(b-c)*(b-c)*(Cost1-Cost0))/((b-a)*(Cost1-Cost2)-(b-c)*(Cost1-Cost0));
int indic_x_min=0;
int indic_x_max=0;
for(int i=1;i<3;i++)
{
if(talpha[i]<talpha[indic_x_min])
indic_x_min=i;
if(talpha[i]>talpha[indic_x_max])
indic_x_max=i;
}
std::cout<<"talpha = "<<talpha[3]<<std::endl;
if(talpha[3]>talpha[indic_x_max])
if((talpha[3]-talpha[indic_x_max])>alpha)talpha[3]=talpha[indic_x_max]+alpha;
if(talpha[3]<talpha[indic_x_min])
if((talpha[indic_x_min]-talpha[3])>alpha)talpha[3]=talpha[indic_x_min]-alpha;*/
//p3=tp-talpha[3]*direction;
if(useCompositionnal)
{
adpt=talpha[3]*direction;
if(useInverse)
Warp->getParamInverse(adpt,dpt);
else
dpt=adpt;
Warp->pRondp(tp,dpt,p3);
}
else
{
p3=tp+talpha[3]*direction;
}
Cost[3]=getCost(I,p3);
//std::cout<<"new cost="<<Cost[3]<<std::endl;
int indice_f_max=0;
for(int i=1;i<4;i++)
if(Cost[i]>Cost[indice_f_max])
indice_f_max=i;
if(indice_f_max!=3)
{
*ptp[indice_f_max]=*ptp[3];
Cost[indice_f_max]=Cost[3];
talpha[indice_f_max]=talpha[3];
}
else
break;
}
int indice_f_min=0;
for(int i=0;i<4;i++)
if(Cost[i]<Cost[indice_f_min])
indice_f_min=i;
alpha=talpha[indice_f_min];
if(alpha<1)alpha=1.;
delete[] ptp;
delete[] Cost;
delete[] talpha;
}
