bz tool: continued with plotting

tools/bz/bz.h

@@ -153,6 +153,9 @@ protected:
 	std::vector<std::vector<t_mat>> m_sg_ops;    // symops per space group
 	std::vector<std::vector<t_vec>> m_bz_polys;  // polygons of the 3d bz
 
+	t_real m_min_x = 1., m_max_x = -1.;          // plot ranges for curves
+	t_real m_min_y = 1., m_max_y = -1.;          // plot ranges for curves
+
 
 protected:
 	// space group / symops tab

tools/bz/bz_calc.cpp

@@ -297,7 +297,7 @@ void BZDlg::CalcBZCut()
 						norm, d_invA, bz_poly, g_eps);
 					vecs = tl2::remove_duplicates(vecs, g_eps);
 
-					// calulate the hull of the bz cut
+					// calculate the hull of the bz cut
 					if(calc_bzcut_hull)
 					{
 						for(const t_vec& vec : vecs)
@@ -333,7 +333,7 @@ void BZDlg::CalcBZCut()
 					}
 				}
 
-				// calulate the hull of the bz cut
+				// calculate the hull of the bz cut
 				if(calc_bzcut_hull)
 				{
 					cut_verts = tl2::remove_duplicates(cut_verts, g_eps);
@@ -372,9 +372,35 @@ void BZDlg::CalcBZCut()
 	}
 
 
-	m_bzscene->clear();
+	// get ranges
+	m_min_x = std::numeric_limits<t_real>::max();
+	m_max_x = -m_min_x;
+	m_min_y = std::numeric_limits<t_real>::max();
+	m_max_y = -m_min_y;
+
+	for(const auto& tup : cut_lines)
+	{
+		const auto& pt1 = std::get<0>(tup);
+		const auto& pt2 = std::get<1>(tup);
+
+		m_min_x = std::min(m_min_x, pt1[0]);
+		m_min_x = std::min(m_min_x, pt2[0]);
+		m_max_x = std::max(m_max_x, pt1[0]);
+		m_max_x = std::max(m_max_x, pt2[0]);
+
+		m_min_y = std::min(m_min_y, pt1[1]);
+		m_min_y = std::min(m_min_y, pt2[1]);
+		m_max_y = std::max(m_max_y, pt1[1]);
+		m_max_y = std::max(m_max_y, pt2[1]);
+	}
+
+
+	// draw cut
+	m_bzscene->ClearAll();
 	m_bzscene->AddCut(cut_lines);
 
+
+	// get description of bz cut
 	ostr << "# Brillouin zone cut" << std::endl;
 	for(std::size_t i=0; i<cut_lines000.size(); ++i)
 	{
@@ -385,6 +411,8 @@ void BZDlg::CalcBZCut()
 	}
 	m_descrBZCut = ostr.str();
 
+
+	// update calculation results
 	PlotSetPlane(norm, d_invA);
 	UpdateBZDescription();
 	CalcFormulas();
@@ -396,6 +424,10 @@ void BZDlg::CalcBZCut()
  */
 void BZDlg::CalcFormulas()
 {
+	m_bzscene->ClearCurves();
+	if(m_max_x < m_min_x)
+		return;
+
 	std::vector<std::string> formulas = GetFormulas();
 	for(const std::string& formula : formulas)
 	{
@@ -408,8 +440,23 @@ void BZDlg::CalcFormulas()
 			if(bool ok = parser.parse(formula); !ok)
 				continue;
 
-			// TODO
-			//t_real result = parser.eval();
+			int num_pts = 512;
+			t_real x_delta = (m_max_x - m_min_x) / t_real(num_pts);
+
+			std::vector<t_vec> curve;
+			curve.reserve(num_pts);
+
+			for(t_real x=m_min_x; x<=m_max_x; x+=x_delta)
+			{
+				parser.register_var("x", x);
+				t_real y = parser.eval();
+				if(y < m_min_y || y > m_max_y)
+					continue;
+
+				curve.emplace_back(tl2::create<t_vec>({ x, y }));
+			}
+
+			m_bzscene->AddCurve(curve);
 		}
 		catch(const std::exception& ex)
 		{

tools/bz/plot_cut.cpp

@@ -37,9 +37,14 @@ BZCutScene::BZCutScene(QWidget *parent) : QGraphicsScene(parent)
 
 BZCutScene::~BZCutScene()
 {
+	ClearAll();
 }
 
 
+/**
+ * adds the line segments of a brillouin zone cut
+ * @arg [start, end, Q]
+ */
 void BZCutScene::AddCut(
 	const std::vector<std::tuple<t_vec, t_vec, std::array<t_real, 3>>>& lines)
 {
@@ -51,6 +56,8 @@ void BZCutScene::AddCut(
 	pen.setColor(qApp->palette().color(QPalette::WindowText));
 	pen.setWidthF(1.);
 
+	m_bzcut.reserve(lines.size() * 2);
+
 	// draw brillouin zones
 	for(const auto& line : lines)
 	{
@@ -65,10 +72,12 @@ void BZCutScene::AddCut(
 			continue;
 		}
 
-		addLine(QLineF(
+		QGraphicsLineItem *plot_line = addLine(QLineF(
 			std::get<0>(line)[0]*m_scale, std::get<0>(line)[1]*m_scale,
 			std::get<1>(line)[0]*m_scale, std::get<1>(line)[1]*m_scale),
 			pen);
+
+		m_bzcut.push_back(plot_line);
 	}
 
 
@@ -78,12 +87,63 @@ void BZCutScene::AddCut(
 
 	for(const auto* line : lines000)
 	{
-		addLine(QLineF(
+		QGraphicsLineItem *plot_line = addLine(QLineF(
 			std::get<0>(*line)[0]*m_scale, std::get<0>(*line)[1]*m_scale,
 			std::get<1>(*line)[0]*m_scale, std::get<1>(*line)[1]*m_scale),
 			pen);
+
+		m_bzcut.push_back(plot_line);
 	}
 }
+
+
+/**
+ * adds a plot curve from a set of points
+ */
+void BZCutScene::AddCurve(const std::vector<t_vec>& points)
+{
+	QPen pen;
+	pen.setCosmetic(true);
+	pen.setColor(QColor(0x00, 0x00, 0xff));
+	pen.setWidthF(2.);
+
+	for(std::size_t i=0; i<points.size()-1; ++i)
+	{
+		std::size_t j = i+1;
+
+		QGraphicsLineItem *plot_line = addLine(QLineF(
+			points[i][0]*m_scale, points[i][1]*m_scale,
+			points[j][0]*m_scale, points[j][1]*m_scale),
+			pen);
+
+		m_curves.push_back(plot_line);
+	}
+}
+
+
+void BZCutScene::ClearAll()
+{
+	ClearCut();
+	ClearCurves();
+	clear();
+}
+
+
+void BZCutScene::ClearCut()
+{
+	for(QGraphicsItem *item : m_bzcut)
+		delete item;
+	m_bzcut.clear();
+}
+
+
+void BZCutScene::ClearCurves()
+{
+	for(QGraphicsItem *item : m_curves)
+		delete item;
+	m_curves.clear();
+}
+
 // --------------------------------------------------------------------------------
 
 

tools/bz/plot_cut.h

@@ -40,6 +40,7 @@
 #include "globals.h"
 
 
+
 class BZCutScene : public QGraphicsScene
 {
 public:
@@ -49,14 +50,24 @@ public:
 	void AddCut(const std::vector<
 		// [x, y, Q]
 		std::tuple<t_vec, t_vec, std::array<t_real, 3>>>& lines);
+	void AddCurve(const std::vector<t_vec>& points);
+
 	t_real GetScale() const { return m_scale; }
 
+	void ClearAll();
+	void ClearCut();
+	void ClearCurves();
+
 
 protected:
 	t_real m_scale = 100.;
+
+	std::vector<QGraphicsItem*> m_bzcut{};
+	std::vector<QGraphicsItem*> m_curves{};
 };
 
 
+
 class BZCutView : public QGraphicsView
 { Q_OBJECT
 public: