int CalcCSGeometry(struct tube *tu, int csi, float n[3])
{
struct cs *cs;
int j, ind;
static float sx[] = {1, -1, -1, 1};
static float sy[] = {1, 1, -1, -1};
float dx, dy, a, b;
cs = tu->cs[csi];
// when we come the second time ...
FreePointStruct(cs->p);
cs->p = AllocPointStruct();
// first we get Trafo from the relativ(crossection) to the absolute system
CalcTrafo(tu, csi, n);
// all corners, starting with the right top, next is left top, ...
for (j = 0; j < 4; j += 2)
{
//////////////////////////////////////////////
// the right top || the left bottom corner ...
ind = j;
a = cs->c_a[ind];
b = cs->c_b[ind];
dx = cs->c_width/2 - a;
dy = cs->c_height/2 - b;
// First point of corner
AddPoint(cs->p, sx[ind]*(dx+a), sy[ind]*dy, 0.0);
cs->cov_ind[ind*2] = cs->p->nump-1;
// second point of corner and the ellipse points ...
if (!IS_0(a))
{
CalcEllipsePoints(cs, a, b, sx[ind]*dx, sy[ind]*dy, (M_PI/2)*(ind), (M_PI/2)*(ind)+M_PI/2);
AddPoint(cs->p, sx[ind]*dx, sy[ind]*(dy+b), 0.0);
}
cs->cov_ind[ind*2+1] = cs->p->nump-1;
//////////////////////////////////////////////
// the left top || the right bottom corner ...
ind = j+1;
a = cs->c_a[ind];
b = cs->c_b[ind];
dx = cs->c_width/2 - a;
dy = cs->c_height/2 - b;
AddPoint(cs->p, sx[ind] * dx, sy[ind]*(dy+b), 0.0);
cs->cov_ind[ind*2] = cs->p->nump-1;
if (!IS_0(b))
{
CalcEllipsePoints(cs, a, b, sx[ind]*dx, sy[ind]*dy, (M_PI/2)*(ind), (M_PI/2)*(ind)+M_PI/2);
AddPoint(cs->p, sx[ind]*(dx+a), sy[ind]*dy, 0.0);
}
cs->cov_ind[ind*2+1] = cs->p->nump-1;
}
return 1;
}
void SgListDlg::SGSelected(QListWidgetItem *pItem, QListWidgetItem*)
{
listSymOps->clear();
listTrafo->clear();
for(QLineEdit *pEdit : {editHM, /*editHall,*/ editLaue, editNr/*, editAxisSym*/})
pEdit->setText("");
if(!pItem) return;
std::shared_ptr<const SpaceGroups<t_real>> sgs = SpaceGroups<t_real>::GetInstance();
const SpaceGroups<t_real>::t_vecSpaceGroups* pvecSG = sgs->get_space_groups_vec();
// header selected?
unsigned int iSG = pItem->data(Qt::UserRole).toUInt();
if(iSG >= pvecSG->size())
return;
const SpaceGroup<t_real>* psg = pvecSG->at(iSG);
unsigned int iSgNr = psg->GetNr();
const std::string& strHM = psg->GetName();
const std::string& strPointGroup = psg->GetPointGroup();
const std::string& strLaue = psg->GetLaueGroup();
const std::string& strCrysSys = psg->GetCrystalSystemName();
editNr->setText(tl::var_to_str(iSgNr).c_str());
editHM->setText(strHM.c_str());
//editHall->setText(psg.symbol_hall().c_str());
editLaue->setText(("PG: " + strPointGroup + ", LG: " + strLaue +
" (" + strCrysSys + ")").c_str());
bool bShowMatrices = checkMatrices->isChecked();
// all trafos
const std::vector<SpaceGroup<t_real>::t_mat>& vecTrafos = psg->GetTrafos();
{
std::ostringstream ostr;
ostr << "All Symmetry Operations (" << vecTrafos.size() << ")";
listSymOps->addItem(create_header_item(ostr.str().c_str()));
for(unsigned int iSymOp=0; iSymOp<vecTrafos.size(); ++iSymOp)
{
if(bShowMatrices)
listSymOps->addItem(print_matrix(vecTrafos[iSymOp]).c_str());
else
listSymOps->addItem(get_trafo_desc(vecTrafos[iSymOp]).c_str());
}
}
// primitive trafos
const std::vector<unsigned int>& vecPrim = psg->GetPrimTrafos();
if(vecPrim.size())
{
std::ostringstream ostr;
ostr << "Primitive Symmetry Operations (" << (vecPrim.size()) << ")";
listSymOps->addItem(create_header_item(ostr.str().c_str()));
for(unsigned int iSymOp=0; iSymOp<vecPrim.size(); ++iSymOp)
{
if(bShowMatrices)
listSymOps->addItem(print_matrix(vecTrafos[vecPrim[iSymOp]]).c_str());
else
listSymOps->addItem(get_trafo_desc(vecTrafos[vecPrim[iSymOp]]).c_str());
}
}
// inverting trafos
const std::vector<unsigned int>& vecInv = psg->GetInvTrafos();
if(vecInv.size())
{
std::ostringstream ostr;
ostr << "Inverting Symmetry Operations (" << (vecInv.size()) << ")";
listSymOps->addItem(create_header_item(ostr.str().c_str()));
for(unsigned int iSymOp=0; iSymOp<vecInv.size(); ++iSymOp)
{
if(bShowMatrices)
listSymOps->addItem(print_matrix(vecTrafos[vecInv[iSymOp]]).c_str());
else
listSymOps->addItem(get_trafo_desc(vecTrafos[vecInv[iSymOp]]).c_str());
}
}
// centering trafos
const std::vector<unsigned int>& vecCenter = psg->GetCenterTrafos();
if(vecCenter.size())
{
std::ostringstream ostr;
ostr << "Centering Symmetry Operations (" << (vecCenter.size()) << ")";
listSymOps->addItem(create_header_item(ostr.str().c_str()));
for(unsigned int iSymOp=0; iSymOp<vecCenter.size(); ++iSymOp)
{
if(bShowMatrices)
listSymOps->addItem(print_matrix(vecTrafos[vecCenter[iSymOp]]).c_str());
else
listSymOps->addItem(get_trafo_desc(vecTrafos[vecCenter[iSymOp]]).c_str());
}
}
RecalcBragg();
CalcTrafo();
}
