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Commit 16c860b5 authored by Tobias WEBER's avatar Tobias WEBER
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cosmetic changes

parent 3bd09f75
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libs/_cxx20/math_algos.h
View file @ 16c860b5
......@@ -222,7 +222,7 @@ public:
for(std::size_t i=0; i<minRows; ++i)
for(std::size_t j=0; j<minCols; ++j)
(*this)(i,j) = value_type{matOther(i,j)};
(*this)(i,j) = static_cast<value_type>(matOther(i,j));
}
size_t size1() const { return ROWS; }
......@@ -589,7 +589,7 @@ requires is_mat<t_mat>
/**
* convert between vector types
*/
template<class t_vecFrom, class t_vecTo>
template<class t_vecTo, class t_vecFrom>
t_vecTo convert(const t_vecFrom& vec)
requires is_basic_vec<t_vecFrom> && is_basic_vec<t_vecTo>
{
......@@ -600,7 +600,7 @@ requires is_basic_vec<t_vecFrom> && is_basic_vec<t_vecTo>
vecRet = t_vecTo(vec.size());
for(std::size_t i=0; i<vec.size(); ++i)
vecRet[i] = t_ty{vec[i]};
vecRet[i] = static_cast<t_ty>(vec[i]);
return vecRet;
}
......
tools/magstructfact/magstructfact.cpp
View file @ 16c860b5
......@@ -123,7 +123,7 @@ MagStructFactDlg::MagStructFactDlg(QWidget* pParent) : QDialog{pParent},
m_nuclei->setHorizontalHeaderItem(COL_ImM_X, new QTableWidgetItem{"Im{FC_x}"});
m_nuclei->setHorizontalHeaderItem(COL_ImM_Y, new QTableWidgetItem{"Im{FC_y}"});
m_nuclei->setHorizontalHeaderItem(COL_ImM_Z, new QTableWidgetItem{"Im{FC_z}"});
m_nuclei->setHorizontalHeaderItem(COL_RAD, new QTableWidgetItem{"Radius"});
m_nuclei->setHorizontalHeaderItem(COL_RAD, new QTableWidgetItem{"Scale"});
m_nuclei->setHorizontalHeaderItem(COL_COL, new QTableWidgetItem{"Colour"});
m_nuclei->setColumnWidth(COL_NAME, 90);
......@@ -1557,8 +1557,10 @@ std::vector<NuclPos> MagStructFactDlg::GetNuclei() const
auto *ImMx = m_nuclei->item(row, COL_ImM_X);
auto *ImMy = m_nuclei->item(row, COL_ImM_Y);
auto *ImMz = m_nuclei->item(row, COL_ImM_Z);
auto *scale = m_nuclei->item(row, COL_RAD);
auto *col = m_nuclei->item(row, COL_COL);
if(!name || !MMag || !x || !y || !z || !ReMx || !ReMy || !ReMz || !ImMx || !ImMy || !ImMz)
if(!name || !MMag || !x || !y || !z || !ReMx || !ReMy || !ReMz || !ImMx || !ImMy || !ImMz || !scale || !col)
{
std::cerr << "Invalid entry in row " << row << "." << std::endl;
continue;
......@@ -1566,6 +1568,7 @@ std::vector<NuclPos> MagStructFactDlg::GetNuclei() const
NuclPos nucl;
nucl.name = name->text().toStdString();
nucl.col = col->text().toStdString();
std::istringstream{MMag->text().toStdString()} >> nucl.MAbs;
std::istringstream{x->text().toStdString()} >> nucl.pos[0];
std::istringstream{y->text().toStdString()} >> nucl.pos[1];
......@@ -1576,6 +1579,7 @@ std::vector<NuclPos> MagStructFactDlg::GetNuclei() const
std::istringstream{ImMx->text().toStdString()} >> nucl.ImM[0];
std::istringstream{ImMy->text().toStdString()} >> nucl.ImM[1];
std::istringstream{ImMz->text().toStdString()} >> nucl.ImM[2];
std::istringstream{scale->text().toStdString()} >> nucl.scale;
vec.emplace_back(std::move(nucl));
}
......@@ -1702,7 +1706,9 @@ void MagStructFactDlg::Calc()
std::vector<t_cplx> bs;
std::vector<t_vec> pos;
std::vector<t_vec_cplx> Ms;
std::vector<t_real> scales;
std::vector<std::string> names;
std::vector<std::string> cols;
for(const auto& nucl : GetNuclei())
{
......@@ -1712,6 +1718,8 @@ void MagStructFactDlg::Calc()
t_cplx{nucl.ReM[1], nucl.ImM[1]},
t_cplx{nucl.ReM[2], nucl.ImM[2]} }));
names.emplace_back(std::move(nucl.name));
cols.emplace_back(std::move(nucl.col));
scales.push_back(nucl.scale);
}
......@@ -1880,14 +1888,18 @@ void MagStructFactDlg::Calc()
for(std::size_t nuclidx=0; nuclidx<Ms.size(); ++nuclidx)
{
t_vec_cplx fourier = Ms[nuclidx];
auto thepos = pos[nuclidx] + vecCellCentre;
auto posGL = m::convert<t_vec, t_vec_gl>(thepos);
//auto posGL = m::create<t_vec_gl>({t_real_gl(thepos[0]), t_real_gl(thepos[1]), t_real_gl(thepos[2])});
const std::string& name = names[nuclidx];
const std::string& colstr = cols[nuclidx];
auto thepos = pos[nuclidx] + vecCellCentre;
auto scale = scales[nuclidx];
auto posGL = m::convert<t_vec_gl>(thepos);
auto moment = m::create<t_vec_cplx>({0, 0, 0});
qreal r=1, g=1, b=1;
QColor col{colstr.c_str()};
col.getRgbF(&r, &g, &b);
for(std::size_t propidx=0; propidx<propvecs.size(); ++propidx)
{
const auto& propvec = propvecs[propidx];
......@@ -1902,20 +1914,16 @@ void MagStructFactDlg::Calc()
if(m::equals<t_real>(comp.imag(), t_real(0), g_eps)) comp.imag(0.);
}
//moments.emplace_back(std::move(moment));
// add 3d objs
// add 3d objs to super cell view
if(m_plotSC)
{
// TODO
t_real_gl M = 1., scale = 1.;
auto objArrowRe = m_plotSC->GetImpl()->AddLinkedObject(m_arrowSC, 0,0,0, 1,1,1,1);
auto objArrowIm = m_plotSC->GetImpl()->AddLinkedObject(m_arrowSC, 0,0,0, 1,1,1,1);
auto [_vecReM, _vecImM] = m::split_cplx<t_cplx>(moment);
auto vecReM = m::convert<t_vec, t_vec_gl>(_vecReM);
auto vecImM = m::convert<t_vec, t_vec_gl>(_vecImM);
auto vecReM = m::convert<t_vec_gl>(_vecReM);
auto vecImM = m::convert<t_vec_gl>(_vecImM);
auto normReM = m::norm<t_vec_gl>(vecReM);
auto normImM = m::norm<t_vec_gl>(vecImM);
......@@ -1925,8 +1933,8 @@ void MagStructFactDlg::Calc()
1, // post-scale
m::create<t_vec_gl>({0, 0, 0}), // post-translate
m::create<t_vec_gl>({0, 0, 1}), // from
M*scale, // pre-scale
posGL // pre-translate
normReM*scale, // pre-scale
posGL // pre-translate
);
t_mat_gl matArrowIm = GlPlot_impl::GetArrowMatrix(
......@@ -1934,14 +1942,14 @@ void MagStructFactDlg::Calc()
1, // post-scale
m::create<t_vec_gl>({0, 0, 0}), // post-translate
m::create<t_vec_gl>({0, 0, 1}), // from
M*scale, // pre-scale
posGL // pre-translate
normImM*scale, // pre-scale
posGL // pre-translate
);
m_plotSC->GetImpl()->SetObjectMatrix(objArrowRe, matArrowRe);
m_plotSC->GetImpl()->SetObjectMatrix(objArrowIm, matArrowIm);
m_plotSC->GetImpl()->SetObjectCol(objArrowRe, 1., 0., 0., 1.);
m_plotSC->GetImpl()->SetObjectCol(objArrowIm, 0., 0., 1., 1.);
m_plotSC->GetImpl()->SetObjectCol(objArrowRe, r, g, b, 1.);
m_plotSC->GetImpl()->SetObjectCol(objArrowIm, 1.-r, 1.-g, 1.-b, 1.);
m_plotSC->GetImpl()->SetObjectVisible(objArrowRe, !m::equals<t_real_gl>(normReM, 0, g_eps));
m_plotSC->GetImpl()->SetObjectVisible(objArrowIm, !m::equals<t_real_gl>(normImM, 0, g_eps));
......@@ -1963,6 +1971,8 @@ void MagStructFactDlg::Calc()
<< std::setw(g_prec*1.2) << std::right << vecCellCentre[0] << " "
<< std::setw(g_prec*1.2) << std::right << vecCellCentre[1] << " "
<< std::setw(g_prec*1.2) << std::right << vecCellCentre[2] << "\n";
//moments.emplace_back(std::move(moment));
}
}
}
......
tools/magstructfact/magstructfact.h
View file @ 16c860b5
......@@ -41,11 +41,16 @@ using t_mat_cplx = m::mat<t_cplx, std::vector>;
struct NuclPos
{
// physically meaningful data
t_real pos[3]; // position
t_cplx MAbs{1}; // magnitude of Fourier components
t_real ReM[3]; // real part of Fourier components
t_real ImM[3]; // imag part of Fourier components
// cosmetic data
std::string name;
t_real pos[3]; // position
t_cplx MAbs; // scaling of Fourier components
t_real ReM[3]; // real part of Fourier components
t_real ImM[3]; // imag part of Fourier components
std::string col{"#ff0000"};
t_real scale{1}; // scaling of Fourier components (only for drawing)
};
......
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