added bz cut exporting

tools/taz/scattering_triangle.h

@@ -197,7 +197,8 @@ class ScatteringTriangle : public QGraphicsItem
 		const tl::Kd<t_real_glob>& GetKdLattice() const { return m_kdLattice; }
 
 		const tl::Brillouin3D<t_real_glob>& GetBZ3D() const { return m_bz3; }
-		const std::vector<ublas::vector<t_real_glob>>& GetBZ3DPlaneVerts() const { return m_vecBZ3VertsUnproj; }
+		const std::vector<ublas::vector<t_real_glob>>& GetBZ3DPlaneVerts(bool planeproj=0) const
+		{ return planeproj ? m_vecBZ3Verts : m_vecBZ3VertsUnproj; }
 		const std::vector<ublas::vector<t_real_glob>>& GetBZ3DSymmVerts() const { return m_vecBZ3SymmPts; }
 
 	public:

tools/taz/taz.cpp

@@ -452,6 +452,9 @@ TazDlg::TazDlg(QWidget* pParent, const std::string& strLogFile)
 	pBZ3DExport->setIcon(load_icon("res/icons/image-x-generic.svg"));
 	m_pMenuViewRecip->addAction(pBZ3DExport);
 
+	QAction *pBZCutExport = new QAction("Export Brillouin Zone Cut...", this);
+	pBZCutExport->setIcon(load_icon("res/icons/image-x-generic.svg"));
+	m_pMenuViewRecip->addAction(pBZCutExport);
 
 
 	// --------------------------------------------------------------------------------
@@ -830,6 +833,7 @@ TazDlg::TazDlg(QWidget* pParent, const std::string& strLogFile)
 
 	QObject::connect(pRecipExport, &QAction::triggered, this, &TazDlg::ExportRecip);
 	QObject::connect(pBZ3DExport, &QAction::triggered, this, &TazDlg::ExportBZ3DModel);
+	QObject::connect(pBZCutExport, &QAction::triggered, this, &TazDlg::ExportBZCut);
 	QObject::connect(pProjExport, &QAction::triggered, this, &TazDlg::ExportProj);
 	QObject::connect(pRealExport, &QAction::triggered, this, &TazDlg::ExportReal);
 	QObject::connect(pTofExport, &QAction::triggered, this, &TazDlg::ExportTof);

tools/taz/taz.h

@@ -266,6 +266,7 @@ class TazDlg : public QMainWindow, Ui::TazDlg
 		void ExportRecip();
 		void ExportProj();
 		void ExportBZ3DModel();
+		void ExportBZCut();
 		void ExportUCModel();
 
 		void RepopulateSpaceGroups();

tools/taz/taz_export.cpp

@@ -34,6 +34,7 @@ void TazDlg::ExportReal()
 	pTas->SetZoom(dZoom);
 }
 
+
 void TazDlg::ExportTof()
 {
 	TofLayout *pTof = m_sceneTof.GetTofLayout();
@@ -45,6 +46,7 @@ void TazDlg::ExportTof()
 	pTof->SetZoom(dZoom);
 }
 
+
 void TazDlg::ExportRealLattice()
 {
 	RealLattice *pLatt = m_sceneRealLattice.GetLattice();
@@ -56,6 +58,7 @@ void TazDlg::ExportRealLattice()
 	pLatt->SetZoom(dZoom);
 }
 
+
 void TazDlg::ExportRecip()
 {
 	ScatteringTriangle *pTri = m_sceneRecip.GetTriangle();
@@ -67,6 +70,7 @@ void TazDlg::ExportRecip()
 	pTri->SetZoom(dZoom);
 }
 
+
 void TazDlg::ExportProj()
 {
 	ProjLattice *pLatt = m_sceneProjRecip.GetLattice();
@@ -78,6 +82,7 @@ void TazDlg::ExportProj()
 	pLatt->SetZoom(dZoom);
 }
 
+
 void TazDlg::ExportSceneSVG(QGraphicsScene& scene)
 {
 	QFileDialog::Option fileopt = QFileDialog::Option(0);
@@ -111,6 +116,62 @@ void TazDlg::ExportSceneSVG(QGraphicsScene& scene)
 }
 
 
+/**
+ * export the current cut of the brillouin zone with the scattering plane
+ */
+void TazDlg::ExportBZCut()
+{
+	QFileDialog::Option fileopt = QFileDialog::Option(0);
+	if(!m_settings.value("main/native_dialogs", 1).toBool())
+		fileopt = QFileDialog::DontUseNativeDialog;
+
+	QString strDirLast = m_settings.value("main/last_dir_export", ".").toString();
+	QString strFile = QFileDialog::getSaveFileName(this,
+		"Export Data", strDirLast, "Data files (*.dat *.DAT)", nullptr, fileopt);
+	if(strFile == "")
+		return;
+	if(!strFile.endsWith(".dat", Qt::CaseInsensitive))
+		strFile += ".dat";
+
+
+	const ScatteringTriangle *pTri = m_sceneRecip.GetTriangle();
+	if(!pTri) return;
+
+	const auto& bz = pTri->GetBZ3D();
+	if(!bz.IsValid())
+	{
+		QMessageBox::critical(this, "Error", "3D Brillouin zone calculation is disabled or results are invalid.");
+		return;
+	}
+
+	std::ofstream ofstr(strFile.toStdString());
+	ofstr.precision(g_iPrec);
+	ofstr << "# Brillouin zone cut vertices.\n";
+	ofstr << "# Created with Takin " + std::string(TAKIN_VER) + ".\n";
+	ofstr << "\n";
+
+	const std::vector<ublas::vector<t_real>>& verts = pTri->GetBZ3DPlaneVerts();
+	for(ublas::vector<t_real> vert : verts)
+	{
+		if(vert.size() < 2)
+		{
+			tl::log_err("Invalid vertex in Brillouin zone cut.");
+			continue;
+		}
+
+		tl::set_eps_0(vert, g_dEps);
+		for(int coordidx=0; coordidx<2; ++coordidx)
+			ofstr << std::setw(g_iPrec*2.5) << std::left << vert[coordidx] << " ";
+		ofstr << "\n";
+	}
+	ofstr.flush();
+
+
+	std::string strDir = tl::get_dir(strFile.toStdString());
+	m_settings.setValue("main/last_dir_export", QString(strDir.c_str()));
+}
+
+
 /**
  * export the 3d BZ as 3D model
  */
@@ -129,7 +190,7 @@ void TazDlg::ExportBZ3DModel()
 		strFile += ".x3d";
 
 
-	ScatteringTriangle *pTri = m_sceneRecip.GetTriangle();
+	const ScatteringTriangle *pTri = m_sceneRecip.GetTriangle();
 	if(!pTri) return;
 
 	const auto& bz = pTri->GetBZ3D();
@@ -208,7 +269,6 @@ void TazDlg::ExportBZ3DModel()
 
 
 
-
 //--------------------------------------------------------------------------------
 // 3d model exports