bz tool: continued with gui

tools/bz/bz.cpp

@@ -66,12 +66,13 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 		m_symops->setSelectionBehavior(QTableWidget::SelectRows);
 		m_symops->setSelectionMode(QTableWidget::ContiguousSelection);
 		m_symops->setContextMenuPolicy(Qt::CustomContextMenu);
-
-		m_symops->verticalHeader()->setDefaultSectionSize(fontMetrics().lineSpacing() + 4);
+		m_symops->verticalHeader()->setDefaultSectionSize(
+			fontMetrics().lineSpacing()*4 + 4);
 		m_symops->verticalHeader()->setVisible(false);
-
+		m_symops->setAlternatingRowColors(true);
 		m_symops->setColumnCount(NUM_COLS);
-		m_symops->setHorizontalHeaderItem(COL_OP, new QTableWidgetItem{"Symmetry Operations"});
+		m_symops->setHorizontalHeaderItem(COL_OP,
+			new QTableWidgetItem{"Symmetry Operations"});
 		m_symops->setColumnWidth(COL_OP, 500);
 
 		QToolButton *btnAdd = new QToolButton(symopspanel);

tools/bz/bz_file.cpp

@@ -38,6 +38,10 @@
 #include <boost/property_tree/xml_parser.hpp>
 namespace pt = boost::property_tree;
 
+#include <boost/algorithm/string.hpp>
+#include <boost/algorithm/string/replace.hpp>
+namespace algo = boost::algorithm;
+
 #include "../structfact/loadcif.h"
 #include "tlibs2/libs/algos.h"
 
@@ -248,9 +252,11 @@ void BZDlg::Save()
 	// symop list
 	for(int row=0; row<m_symops->rowCount(); ++row)
 	{
-		pt::ptree itemNode;
-		itemNode.put<std::string>("op", m_symops->item(row, COL_OP)->text().toStdString());
+		std::string opstr = m_symops->item(row, COL_OP)->text().toStdString();
+		algo::replace_all(opstr, "\n", " ");
 
+		pt::ptree itemNode;
+		itemNode.put<std::string>("op", opstr);
 		node.add_child("bz.symops.symop", itemNode);
 	}
 

tools/bz/bz_ops.cpp

@@ -55,10 +55,14 @@ std::string BZDlg::OpToStr(const t_mat& op)
 		{
 			t_real elem = op(row, col);
 			tl2::set_eps_0(elem);
-			ostr << elem << " ";
+
+			ostr << elem;
+			if(col != op.size2()-1)
+				ostr << " ";
 		}
 
-		ostr << " ";
+		if(row != op.size1()-1)
+			ostr << "\n";
 	}
 
 	return ostr.str();
@@ -174,7 +178,8 @@ void BZDlg::MoveTabItemUp()
 	for(int row=0; row<m_symops->rowCount(); ++row)
 	{
 		if(auto *item = m_symops->item(row, 0);
-			item && std::find(selected.begin(), selected.end(), row+1) != selected.end())
+			item && std::find(selected.begin(), selected.end(), row+1)
+				!= selected.end())
 		{
 			for(int col=0; col<m_symops->columnCount(); ++col)
 				m_symops->item(row, col)->setSelected(true);
@@ -209,7 +214,8 @@ void BZDlg::MoveTabItemDown()
 	for(int row=0; row<m_symops->rowCount(); ++row)
 	{
 		if(auto *item = m_symops->item(row, 0);
-			item && std::find(selected.begin(), selected.end(), row-1) != selected.end())
+			item && std::find(selected.begin(), selected.end(), row-1)
+				!= selected.end())
 		{
 			for(int col=0; col<m_symops->columnCount(); ++col)
 				m_symops->item(row, col)->setSelected(true);

tools/bz/bz_plot.cpp

@@ -50,7 +50,7 @@ void BZDlg::ShowBZPlot()
 		m_plot->GetRenderer()->SetLight(0, tl2::create<t_vec3_gl>({ 5, 5, 5 }));
 		m_plot->GetRenderer()->SetLight(1, tl2::create<t_vec3_gl>({ -5, -5, -5 }));
 		m_plot->GetRenderer()->SetCoordMax(1.);
-		m_plot->GetRenderer()->GetCamera().SetDist(1.5);
+		m_plot->GetRenderer()->GetCamera().SetDist(2.);
 		m_plot->GetRenderer()->GetCamera().UpdateTransformation();
 
 		//auto labCoordSys = new QLabel("Coordinate System:", this);
@@ -65,7 +65,10 @@ void BZDlg::ShowBZPlot()
 		m_plot_labels->setChecked(true);
 		m_plot_plane->setChecked(true);
 
+		// status bar
 		m_status3D = new QLabel(this);
+		m_status3D->setAlignment(Qt::AlignVCenter | Qt::AlignLeft);
+		m_status3D->setSizePolicy(QSizePolicy::Ignored, QSizePolicy::Preferred);
 
 		m_plot->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Expanding});
 		//labCoordSys->setSizePolicy(QSizePolicy{QSizePolicy::Fixed, QSizePolicy::Fixed});
@@ -291,9 +294,22 @@ void BZDlg::PickerIntersection(
 		m_curPickedObj = -1;
 
 
-	if(m_curPickedObj > 0)
+	if(m_curPickedObj > 0 && pos)
 	{
-		// TODO
+		std::ostringstream ostr;
+		ostr.precision(g_prec_gui);
+
+		t_vec QinvA = tl2::convert<t_vec>(*pos);
+		t_mat Binv = m_crystA / (t_real(2)*tl2::pi<t_real>);
+		t_vec Qrlu = Binv * QinvA;
+
+		tl2::set_eps_0<t_vec>(QinvA, t_real_gl(g_eps));
+		tl2::set_eps_0<t_vec>(Qrlu, t_real_gl(g_eps));
+
+		ostr << "Q = (" << QinvA[0] << ", " << QinvA[1] << ", " << QinvA[2] << ") Å⁻¹";
+		ostr << " = (" << Qrlu[0] << ", " << Qrlu[1] << ", " << Qrlu[2] << ") rlu.";
+
+		Set3DStatusMsg(ostr.str());
 	}
 	else
 	{