// ------------------ surface ---------------------
SReal Cell::surface()
{
if (getProperties()->getType()== StructureProperties::QUAD || getProperties()->getType()== StructureProperties::TRIANGLE)
{
SReal A[3]= {0.0, 0.0, 0.0 };
unsigned int nbElem;
nbElem = Cell::getNumberOfStructures();
SReal posi[3], posip1[3];
((Atom*)getStructure(0))->getPosition(posip1);
for (unsigned int i=0; i<nbElem; i++) {
posi[0]=posip1[0];
posi[1]=posip1[1];
posi[2]=posip1[2];
((Atom*)getStructure((i+1)%nbElem))->getPosition(posip1);
//Cross(posi, posip1, inter);
A[0] += posi[1]*posip1[2] - posi[2]*posip1[1];
A[1] += posi[2]*posip1[0] - posi[0]*posip1[2];
A[2] += posi[0]*posip1[1] - posi[1]*posip1[0];
}
// here A is in fact twice the theoritical area vector
A[0] /= 2.0;
A[1] /= 2.0;
A[2] /= 2.0;
// face normal :
SReal * N = normal();
SReal surface = N[0]*A[0] + N[1]*A[1] + N[2]*A[2];
return surface>0?surface:-surface;
}
else {
StructuralComponent * facets = getFacets();
if (!facets)
return 0.0;
SReal surface=0.0;
for (unsigned int i=0 ; i<facets->getNumberOfCells() ; i++) {
surface += facets->getCell(i)->surface();
}
return surface;
}
}
// ------------------ volume ---------------------
SReal Cell::volume()
{
StructuralComponent * facets = getFacets();
if (!facets || getProperties()->getType()== StructureProperties::QUAD || getProperties()->getType()== StructureProperties::TRIANGLE)
return 0.0;
SReal vol=0.0;
Cell * face;
for (unsigned int i=0; i < facets->getNumberOfCells(); i++) {
face = facets->getCell(i);
SReal pos[3];
((Atom*)face->getStructure(0))->getPosition(pos);
SReal * N = face->normal();
vol += face->surface()* ( pos[0]*N[0] + pos[1]*N[1] + pos[2]*N[2] );
}
vol /= 3.0;
return vol>0?vol:-vol;
}