finished with bz cuts

tools/bz/bz.cpp

@@ -184,7 +184,9 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 		m_bzscene = new BZCutScene(cutspanel);
 		m_bzview = new BZCutView(m_bzscene);
 
-		for(QDoubleSpinBox** const cut : { &m_cutX, &m_cutY, &m_cutZ, &m_cutD })
+		for(QDoubleSpinBox** const cut :
+			{ &m_cutX, &m_cutY, &m_cutZ,
+			&m_cutNX, &m_cutNY, &m_cutNZ, &m_cutD })
 		{
 			*cut = new QDoubleSpinBox(cutspanel);
 			(*cut)->setMinimum(-99);
@@ -197,15 +199,20 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 					(&QDoubleSpinBox::valueChanged),
 				this, &BZDlg::CalcBZCut);
 		}
-		m_cutZ->setValue(1);
+		m_cutX->setValue(1);
+		m_cutNZ->setValue(1);
 
 		pGrid->addWidget(m_bzview, 0,0, 1,4);
-		pGrid->addWidget(new QLabel("Plane Normal:"), 1,0, 1,1);
+		pGrid->addWidget(new QLabel("In-Plane Vector:"), 1,0, 1,1);
 		pGrid->addWidget(m_cutX, 1,1, 1,1);
 		pGrid->addWidget(m_cutY, 1,2, 1,1);
 		pGrid->addWidget(m_cutZ, 1,3, 1,1);
-		pGrid->addWidget(new QLabel("Plane Offset:"), 2,0, 1,1);
-		pGrid->addWidget(m_cutD, 2,1, 1,1);
+		pGrid->addWidget(new QLabel("Plane Normal:"), 2,0, 1,1);
+		pGrid->addWidget(m_cutNX, 2,1, 1,1);
+		pGrid->addWidget(m_cutNY, 2,2, 1,1);
+		pGrid->addWidget(m_cutNZ, 2,3, 1,1);
+		pGrid->addWidget(new QLabel("Plane Offset:"), 3,0, 1,1);
+		pGrid->addWidget(m_cutD, 3,1, 1,1);
 
 		tabs->addTab(cutspanel, "Cut");
 	}

tools/bz/bz.h

@@ -97,11 +97,15 @@ protected:
 	QDoubleSpinBox *m_cutX = nullptr;
 	QDoubleSpinBox *m_cutY = nullptr;
 	QDoubleSpinBox *m_cutZ = nullptr;
+	QDoubleSpinBox *m_cutNX = nullptr;
+	QDoubleSpinBox *m_cutNY = nullptr;
+	QDoubleSpinBox *m_cutNZ = nullptr;
 	QDoubleSpinBox *m_cutD = nullptr;
 
 	// brillouin zone panel
 	QPlainTextEdit *m_bz = nullptr;
 	QSpinBox *m_maxBZ = nullptr;
+	std::vector<std::vector<t_vec>> m_bz_polys;
 
 	QMenu *m_pTabContextMenu = nullptr;        // menu in case a symop is selected
 	QMenu *m_pTabContextMenuNoItem = nullptr;  // menu if nothing is selected
@@ -130,8 +134,8 @@ protected:
 	void GetSymOpsFromSG();
 
 	std::vector<t_mat> GetSymOps(bool only_centring = false) const;
-	void CalcB(bool bFullRecalc=true);
-	void CalcBZ();
+	void CalcB(bool full_recalc = true);
+	void CalcBZ(bool full_recalc = true);
 	void CalcBZCut();
 
 	void ClearPlot();

tools/bz/bz_calc.cpp

@@ -44,7 +44,7 @@ using namespace tl2_ops;
 /**
  * calculate crystal B matrix
  */
-void BZDlg::CalcB(bool bFullRecalc)
+void BZDlg::CalcB(bool full_recalc)
 {
 	if(m_ignoreCalc)
 		return;
@@ -93,7 +93,7 @@ void BZDlg::CalcB(bool bFullRecalc)
 		m_plot->GetRenderer()->SetBTrafo(m_crystB, &matA);
 	}
 
-	if(bFullRecalc)
+	if(full_recalc)
 		CalcBZ();
 }
 
@@ -101,7 +101,7 @@ void BZDlg::CalcB(bool bFullRecalc)
 /**
  * calculate brillouin zone
  */
-void BZDlg::CalcBZ()
+void BZDlg::CalcBZ(bool full_recalc)
 {
 	if(m_ignoreCalc)
 		return;
@@ -151,6 +151,7 @@ void BZDlg::CalcBZ()
 	voronoi = tl2::remove_duplicates(voronoi, g_eps);
 
 	ClearPlot();
+	m_bz_polys.clear();
 
 #ifdef DEBUG
 	std::ofstream ofstrSites("sites.dat");
@@ -211,10 +212,14 @@ void BZDlg::CalcBZ()
 		}
 	}
 
+	m_bz_polys = std::move(bz_triags);
 	PlotAddTriangles(bz_all_triags);
 
 	// brillouin zone description
 	m_bz->setPlainText(ostr.str().c_str());
+
+	if(full_recalc)
+		CalcBZCut();
 }
 
 
@@ -223,12 +228,47 @@ void BZDlg::CalcBZ()
  */
 void BZDlg::CalcBZCut()
 {
-	t_real nx = m_cutX->value();
-	t_real ny = m_cutY->value();
-	t_real nz = m_cutZ->value();
+	if(m_ignoreCalc || !m_bz_polys.size())
+		return;
+
+	t_real x = m_cutX->value();
+	t_real y = m_cutY->value();
+	t_real z = m_cutZ->value();
+	t_real nx = m_cutNX->value();
+	t_real ny = m_cutNY->value();
+	t_real nz = m_cutNZ->value();
 	t_real d = m_cutD->value();
+
+	// get plane coordinate system
+	t_vec vec1 = tl2::create<t_vec>({ x, y, z });
 	t_vec norm = tl2::create<t_vec>({ nx, ny, nz });
 	norm /= tl2::norm<t_vec>(norm);
 
+	t_vec vec2 = tl2::cross<t_vec>(norm, vec1);
+	vec1 = tl2::cross<t_vec>(vec2, norm);
+	vec1 /= tl2::norm<t_vec>(vec1);
+	vec2 /= tl2::norm<t_vec>(vec2);
+
+	t_mat matPlane = tl2::create<t_mat, t_vec>({ vec1, vec2, norm }, true);
+
+	std::vector<std::pair<t_vec, t_vec>> lines;
+	for(const auto& bz_poly : m_bz_polys)
+	{
+		auto vecs = tl2::intersect_plane_poly<t_vec>(
+			norm, d, bz_poly, g_eps);
+		vecs = tl2::remove_duplicates(vecs, g_eps);
+
+		if(vecs.size() >= 2)
+		{
+			t_vec pt1 = matPlane * vecs[0];
+			t_vec pt2 = matPlane * vecs[1];
+
+			lines.emplace_back(std::make_pair(pt1, pt2));
+		}
+	}
+
+	m_bzscene->clear();
+	m_bzscene->AddCut(lines);
+
 	PlotSetPlane(norm, d);
 }

tools/bz/bz_plot.cpp

@@ -360,5 +360,5 @@ void BZDlg::AfterGLInitialisation()
 	m_labelGlInfos[2]->setText(QString("GL Vendor: ") + strGlVendor.c_str() + QString("."));
 	m_labelGlInfos[3]->setText(QString("GL Device: ") + strGlRenderer.c_str() + QString("."));
 
-	CalcBZ();
+	CalcB(true);
 }

tools/bz/plot_cut.cpp

@@ -31,13 +31,23 @@
 // --------------------------------------------------------------------------------
 BZCutScene::BZCutScene(QWidget *parent) : QGraphicsScene(parent)
 {
-	//addLine(QLineF(0,0, 10,10));
 }
 
 
 BZCutScene::~BZCutScene()
 {
 }
+
+
+void BZCutScene::AddCut(const std::vector<std::pair<t_vec, t_vec>>& lines)
+{
+	for(const auto& line : lines)
+	{
+		addLine(QLineF(
+			line.first[0]*m_scale, line.first[1]*m_scale,
+			line.second[0]*m_scale, line.second[1]*m_scale));
+	}
+}
 // --------------------------------------------------------------------------------
 
 

tools/bz/plot_cut.h

@@ -42,8 +42,11 @@ public:
 	BZCutScene(QWidget *parent = nullptr);
 	virtual ~BZCutScene();
 
+	void AddCut(const std::vector<std::pair<t_vec, t_vec>>& lines);
+
 
 protected:
+	t_real m_scale = 100.;
 };