finished with bz polygons

tools/bz/bz.cpp

@@ -431,9 +431,11 @@ void BZDlg::CalcBZ()
 	std::ostringstream ostr;
 	ostr.precision(g_prec);
 
+#ifdef DEBUG
 	ostr << "# centring symmetry operations" << std::endl;
 	for(const t_mat& op : ops_centr)
 		ostr << op << std::endl;
+#endif
 
 	std::vector<t_vec> Qs_invA;
 	Qs_invA.reserve((2*maxBZ+1)*(2*maxBZ+1)*(2*maxBZ+1));
@@ -466,7 +468,6 @@ void BZDlg::CalcBZ()
 	auto [voronoi, triags, neighbours] =
 		geo::calc_delaunay(3, Qs_invA, false, false, idx000);
 
-	ostr << "\n# Brillouin zone" << std::endl;
 	ClearPlot();
 
 #ifdef DEBUG
@@ -484,7 +485,7 @@ void BZDlg::CalcBZ()
 	PlotAddBraggPeak(Qs_invA[idx000]);
 
 	// add voronoi vertices forming the vertices of the BZ
-	ostr << "\n";
+	ostr << "\n# Brillouin zone vertices" << std::endl;
 	for(std::size_t idx=0; idx<voronoi.size(); ++idx)
 	{
 		t_vec& voro = voronoi[idx];
@@ -493,8 +494,8 @@ void BZDlg::CalcBZ()
 		PlotAddVoronoiVertex(voro);
 
 		ostr << "vertex " << idx << ": " << voro << std::endl;
-		for(std::size_t nidx : neighbours[idx])
-			ostr << "\tneighbour index: " << nidx << std::endl;
+		//for(std::size_t nidx : neighbours[idx])
+		//	ostr << "\tneighbour index: " << nidx << std::endl;
 	}
 
 	// calculate the faces of the BZ
@@ -502,10 +503,11 @@ void BZDlg::CalcBZ()
 		geo::calc_delaunay(3, voronoi, true, false);
 
 	std::vector<t_vec> bz_all_triags;
-	ostr << "\n";
+	ostr << "\n# Brillouin zone polygons" << std::endl;
 	for(std::size_t idx_triag=0; idx_triag<bz_triags.size(); ++idx_triag)
 	{
 		const auto& triag = bz_triags[idx_triag];
+
 		ostr << "polygon " << idx_triag << ": " << std::endl;
 		for(std::size_t idx_vert=0; idx_vert<triag.size(); ++idx_vert)
 		{
@@ -514,7 +516,7 @@ void BZDlg::CalcBZ()
 		}
 	}
 
-	PlotAddPlane(bz_all_triags);
+	PlotAddTriangles(bz_all_triags);
 
 	// brillouin zone description
 	m_bz->setPlainText(ostr.str().c_str());

tools/bz/bz.h

@@ -138,7 +138,7 @@ protected:
 	void ClearPlot();
 	void PlotAddVoronoiVertex(const t_vec& pos);
 	void PlotAddBraggPeak(const t_vec& pos);
-	void PlotAddPlane(const std::vector<t_vec>& vecs);
+	void PlotAddTriangles(const std::vector<t_vec>& vecs);
 	void Set3DStatusMsg(const std::string& msg);
 
 	void ShowBZPlot();

tools/bz/bz_plot.cpp

@@ -144,9 +144,9 @@ void BZDlg::PlotAddBraggPeak(const t_vec& pos)
 
 
 /**
- * add a plane to the plot
+ * add polygons to the plot
  */
-void BZDlg::PlotAddPlane(const std::vector<t_vec>& _vecs)
+void BZDlg::PlotAddTriangles(const std::vector<t_vec>& _vecs)
 {
 	if(!m_plot) return;
 	if(_vecs.size() < 3) return;
@@ -156,20 +156,33 @@ void BZDlg::PlotAddPlane(const std::vector<t_vec>& _vecs)
 	vecs.reserve(_vecs.size());
 	norms.reserve(_vecs.size());
 
-	t_vec _norm = tl2::cross(_vecs[2]-_vecs[0], _vecs[1]-_vecs[0]);
-	t_vec3_gl norm = tl2::convert<t_vec3_gl>(_norm);
-
 	for(std::size_t idx=0; idx<_vecs.size()-2; idx+=3)
 	{
 		t_vec3_gl vec1 = tl2::convert<t_vec3_gl>(_vecs[idx]);
 		t_vec3_gl vec2 = tl2::convert<t_vec3_gl>(_vecs[idx+1]);
 		t_vec3_gl vec3 = tl2::convert<t_vec3_gl>(_vecs[idx+2]);
-		vecs.emplace_back(std::move(vec1));
-		vecs.emplace_back(std::move(vec2));
-		vecs.emplace_back(std::move(vec3));
-		norms.push_back(norm);
-		norms.push_back(norm);
-		norms.push_back(norm);
+
+		t_vec3_gl norm = tl2::cross<t_vec3_gl>(vec2-vec1, vec3-vec1);
+		norm /= tl2::norm(norm);
+
+		t_vec3_gl mid = (vec1+vec2+vec3)/3.;
+		mid /= tl2::norm<t_vec3_gl>(mid);
+
+		// change sign of norm / sense of veritices?
+		if(tl2::inner<t_vec3_gl>(norm, mid) < 0.)
+		{
+			vecs.emplace_back(std::move(vec3));
+			vecs.emplace_back(std::move(vec2));
+			vecs.emplace_back(std::move(vec1));
+			norms.push_back(-norm);
+		}
+		else
+		{
+			vecs.emplace_back(std::move(vec1));
+			vecs.emplace_back(std::move(vec2));
+			vecs.emplace_back(std::move(vec3));
+			norms.push_back(norm);
+		}
 	}
 
 	auto obj = m_plot->GetRenderer()->AddTriangleObject(vecs, norms, r,g,b,1);
@@ -270,4 +283,6 @@ void BZDlg::AfterGLInitialisation()
 	m_labelGlInfos[1]->setText(QString("GL Shader Version: ") + strGlShaderVer.c_str() + QString("."));
 	m_labelGlInfos[2]->setText(QString("GL Vendor: ") + strGlVendor.c_str() + QString("."));
 	m_labelGlInfos[3]->setText(QString("GL Device: ") + strGlRenderer.c_str() + QString("."));
+
+	CalcBZ();
 }