bz: started with bz cut plot

tools/bz/CMakeLists.txt

@@ -71,7 +71,8 @@ include_directories(
 add_executable(takin_bz
 	bz.cpp bz_file.cpp
 	bz_plot.cpp bz_main.cpp
-	bz_ops.cpp bz.h
+	bz_ops.cpp bz.h globals.h
+	plot_cut.cpp plot_cut.h
 	../../tlibs2/libs/qt/gl.cpp ../../tlibs2/libs/qt/gl.h
 	../../tlibs2/libs/qt/glplot.cpp ../../tlibs2/libs/qt/glplot.h)
 

tools/bz/bz.cpp

@@ -32,6 +32,7 @@
 #include <QtWidgets/QTabWidget>
 #include <QtWidgets/QLabel>
 #include <QtWidgets/QToolButton>
+#include <QtWidgets/QPushButton>
 #include <QtWidgets/QFileDialog>
 #include <QtWidgets/QMessageBox>
 
@@ -42,7 +43,6 @@
 namespace algo = boost::algorithm;
 
 #include "../structfact/loadcif.h"
-#include "tlibs2/libs/maths.h"
 #include "tlibs2/libs/phys.h"
 #include "tlibs2/libs/algos.h"
 #include "tlibs2/libs/qt/helper.h"
@@ -82,24 +82,23 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 		m_symops->setHorizontalHeaderItem(COL_OP, new QTableWidgetItem{"Symmetry Operation"});
 		m_symops->setColumnWidth(COL_OP, 500);
 
-		QToolButton *pTabBtnAdd = new QToolButton(symopspanel);
-		QToolButton *pTabBtnDel = new QToolButton(symopspanel);
-		QToolButton *pTabBtnUp = new QToolButton(symopspanel);
-		QToolButton *pTabBtnDown = new QToolButton(symopspanel);
-		QToolButton *pTabBtnSG = new QToolButton(symopspanel);
+		QToolButton *btnAdd = new QToolButton(symopspanel);
+		QToolButton *btnDel = new QToolButton(symopspanel);
+		QToolButton *btnUp = new QToolButton(symopspanel);
+		QToolButton *btnDown = new QToolButton(symopspanel);
+		QPushButton *btnSG = new QPushButton("Get SymOps", symopspanel);
 
 		m_symops->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Expanding});
-		pTabBtnAdd->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
-		pTabBtnDel->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
-		pTabBtnUp->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
-		pTabBtnDown->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
-		pTabBtnSG->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
-
-		pTabBtnAdd->setText("Add SymOp");
-		pTabBtnDel->setText("Delete SymOp");
-		pTabBtnUp->setText("Move SymOp Up");
-		pTabBtnDown->setText("Move SymOp Down");
-		pTabBtnSG->setText("Get SymOps");
+		btnAdd->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
+		btnDel->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
+		btnUp->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
+		btnDown->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
+		btnSG->setSizePolicy(QSizePolicy{QSizePolicy::Expanding, QSizePolicy::Fixed});
+
+		btnAdd->setText("Add SymOp");
+		btnDel->setText("Delete SymOp");
+		btnUp->setText("Move SymOp Up");
+		btnDown->setText("Move SymOp Down");
 
 		m_editA = new QLineEdit("5", symopspanel);
 		m_editB = new QLineEdit("5", symopspanel);
@@ -127,14 +126,14 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 		int y=0;
 		//pTabGrid->addWidget(m_plot.get(), y,0,1,4);
 		pTabGrid->addWidget(m_symops, y,0,1,4);
-		pTabGrid->addWidget(pTabBtnAdd, ++y,0,1,1);
-		pTabGrid->addWidget(pTabBtnDel, y,1,1,1);
-		pTabGrid->addWidget(pTabBtnUp, y,2,1,1);
-		pTabGrid->addWidget(pTabBtnDown, y,3,1,1);
+		pTabGrid->addWidget(btnAdd, ++y,0,1,1);
+		pTabGrid->addWidget(btnDel, y,1,1,1);
+		pTabGrid->addWidget(btnUp, y,2,1,1);
+		pTabGrid->addWidget(btnDown, y,3,1,1);
 
 		pTabGrid->addWidget(new QLabel("Space Group:"), ++y,0,1,1);
 		pTabGrid->addWidget(m_comboSG, y,1,1,2);
-		pTabGrid->addWidget(pTabBtnSG, y,3,1,1);
+		pTabGrid->addWidget(btnSG, y,3,1,1);
 
 
 		auto sep1 = new QFrame(symopspanel); sep1->setFrameStyle(QFrame::HLine);
@@ -169,11 +168,11 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 		for(auto* edit : std::vector<QLineEdit*>{{ m_editA, m_editB, m_editC, m_editAlpha, m_editBeta, m_editGamma }})
 			connect(edit, &QLineEdit::textEdited, this, [this]() { this->CalcB(); });
 
-		connect(pTabBtnAdd, &QToolButton::clicked, this, [this]() { this->AddTabItem(-1); });
-		connect(pTabBtnDel, &QToolButton::clicked, this, [this]() { BZDlg::DelTabItem(); });
-		connect(pTabBtnUp, &QToolButton::clicked, this, &BZDlg::MoveTabItemUp);
-		connect(pTabBtnDown, &QToolButton::clicked, this, &BZDlg::MoveTabItemDown);
-		connect(pTabBtnSG, &QToolButton::clicked, this, &BZDlg::GetSymOpsFromSG);
+		connect(btnAdd, &QToolButton::clicked, this, [this]() { this->AddTabItem(-1); });
+		connect(btnDel, &QToolButton::clicked, this, [this]() { BZDlg::DelTabItem(); });
+		connect(btnUp, &QToolButton::clicked, this, &BZDlg::MoveTabItemUp);
+		connect(btnDown, &QToolButton::clicked, this, &BZDlg::MoveTabItemDown);
+		connect(btnSG, &QPushButton::clicked, this, &BZDlg::GetSymOpsFromSG);
 
 		connect(m_symops, &QTableWidget::currentCellChanged, this, &BZDlg::TableCurCellChanged);
 		connect(m_symops, &QTableWidget::entered, this, &BZDlg::TableCellEntered);
@@ -184,33 +183,71 @@ BZDlg::BZDlg(QWidget* pParent) : QDialog{pParent},
 	}
 
 
+	{	// brillouin zone cuts panel
+		auto cutspanel = new QWidget(this);
+		auto pGrid = new QGridLayout(cutspanel);
+		pGrid->setSpacing(4);
+		pGrid->setContentsMargins(4,4,4,4);
+
+		m_bzscene = new BZCutScene(cutspanel);
+		m_bzview = new BZCutView(m_bzscene);
+
+		for(QDoubleSpinBox** const cut : { &m_cutX, &m_cutY, &m_cutZ, &m_cutD })
+		{
+			*cut = new QDoubleSpinBox(cutspanel);
+			(*cut)->setMinimum(-99);
+			(*cut)->setMaximum(99);
+			(*cut)->setDecimals(2);
+			(*cut)->setSingleStep(1);
+			(*cut)->setValue(0);
+		}
+		m_cutZ->setValue(1);
+
+		pGrid->addWidget(m_bzview, 0,0, 1,4);
+		pGrid->addWidget(new QLabel("Plane Normal:"), 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);
+
+		// signals
+		// TODO
+
+		tabs->addTab(cutspanel, "Cuts");
+	}
+
+
 	{	// brillouin zone panel
-		auto sfactpanel = new QWidget(this);
-		auto pGrid = new QGridLayout(sfactpanel);
+		auto bzpanel = new QWidget(this);
+		auto pGrid = new QGridLayout(bzpanel);
 		pGrid->setSpacing(4);
 		pGrid->setContentsMargins(4,4,4,4);
 
-		m_bz = new QPlainTextEdit(sfactpanel);
+		m_bz = new QPlainTextEdit(bzpanel);
 		m_bz->setReadOnly(true);
 		m_bz->setFont(QFontDatabase::systemFont(QFontDatabase::FixedFont));
 
-		m_maxBZ = new QSpinBox(sfactpanel);
+		m_maxBZ = new QSpinBox(bzpanel);
 		m_maxBZ->setMinimum(1);
 		m_maxBZ->setMaximum(99);
 		m_maxBZ->setValue(4);
 
+		QPushButton *btnShowBZ = new QPushButton("3D View...", bzpanel);
 
 		pGrid->addWidget(m_bz, 0,0, 1,4);
 		pGrid->addWidget(new QLabel("Max. Order:"), 1,0,1,1);
 		pGrid->addWidget(m_maxBZ, 1,1, 1,1);
+		pGrid->addWidget(btnShowBZ, 1,3, 1,1);
 
 
 		// signals
 		connect(m_maxBZ,
 			static_cast<void (QSpinBox::*)(int)>(&QSpinBox::valueChanged),
 				this, [this]() { this->CalcBZ(); });
+		connect(btnShowBZ, &QPushButton::clicked, this, &BZDlg::ShowBZPlot);
 
-		tabs->addTab(sfactpanel, "Brillouin Zone");
+		tabs->addTab(bzpanel, "Brillouin Zone");
 	}
 
 

tools/bz/bz.h

@@ -33,6 +33,7 @@
 #include <QtWidgets/QPlainTextEdit>
 #include <QtWidgets/QLineEdit>
 #include <QtWidgets/QSpinBox>
+#include <QtWidgets/QDoubleSpinBox>
 #include <QtWidgets/QMenuBar>
 #include <QtWidgets/QMenu>
 #include <QtWidgets/QLabel>
@@ -43,30 +44,13 @@
 #include <vector>
 #include <sstream>
 
-#include <boost/math/quaternion.hpp>
-namespace math = boost::math;
+#include "globals.h"
+#include "plot_cut.h"
 
 #include "tlibs2/libs/qt/glplot.h"
-#include "tlibs2/libs/math20.h"
 #include "tlibs2/libs/qt/numerictablewidgetitem.h"
 
 
-using t_real = double;
-using t_vec = tl2::vec<t_real, std::vector>;
-using t_mat = tl2::mat<t_real, std::vector>;
-using t_quat = math::quaternion<t_real>;
-
-using t_real_gl = tl2::t_real_gl;
-using t_vec2_gl = tl2::t_vec2_gl;
-using t_vec3_gl = tl2::t_vec3_gl;
-using t_vec_gl = tl2::t_vec_gl;
-using t_mat_gl = tl2::t_mat_gl;
-
-
-constexpr t_real g_eps = 1e-6;
-constexpr int g_prec = 6;
-
-
 enum : int
 {
 	COL_OP = 0,
@@ -86,23 +70,33 @@ protected:
 	QSettings *m_sett = nullptr;
 	QMenuBar *m_menu = nullptr;
 
+	// plotter
 	QDialog *m_dlgPlot = nullptr;
 	std::shared_ptr<tl2::GlPlot> m_plot;
 	std::size_t m_sphere = 0;
 	QLabel *m_labelGlInfos[4] = { nullptr, nullptr, nullptr, nullptr };
 	QLabel *m_status3D = nullptr;
 
-	QTableWidget *m_symops = nullptr;
-	QPlainTextEdit *m_bz = nullptr;
-
+	// symops panel
 	QLineEdit *m_editA = nullptr;
 	QLineEdit *m_editB = nullptr;
 	QLineEdit *m_editC = nullptr;
 	QLineEdit *m_editAlpha = nullptr;
 	QLineEdit *m_editBeta = nullptr;
 	QLineEdit *m_editGamma = nullptr;
-
+	QTableWidget *m_symops = nullptr;
 	QComboBox *m_comboSG = nullptr;
+
+	// cuts panel
+	BZCutScene *m_bzscene = nullptr;
+	BZCutView *m_bzview = nullptr;
+	QDoubleSpinBox *m_cutX = nullptr;
+	QDoubleSpinBox *m_cutY = nullptr;
+	QDoubleSpinBox *m_cutZ = nullptr;
+	QDoubleSpinBox *m_cutD = nullptr;
+
+	// brillouin zone panel
+	QPlainTextEdit *m_bz = nullptr;
 	QSpinBox *m_maxBZ = nullptr;
 
 	QMenu *m_pTabContextMenu = nullptr;        // menu in case a symop is selected

tools/bz/bz_file.cpp

@@ -38,7 +38,6 @@
 namespace pt = boost::property_tree;
 
 #include "../structfact/loadcif.h"
-#include "tlibs2/libs/maths.h"
 #include "tlibs2/libs/algos.h"
 
 using namespace tl2_ops;

tools/bz/bz_ops.cpp

@@ -34,7 +34,6 @@
 #include <iostream>
 #include <tuple>
 
-#include "tlibs2/libs/maths.h"
 #include "tlibs2/libs/phys.h"
 #include "tlibs2/libs/algos.h"
 #include "tlibs2/libs/qt/helper.h"

tools/bz/bz_plot.cpp

@@ -29,7 +29,6 @@
 
 #include "bz.h"
 
-#include "tlibs2/libs/maths.h"
 #include "tlibs2/libs/phys.h"
 #include "tlibs2/libs/algos.h"
 

tools/bz/globals.h

+/**
+ * brillouin zone tool
+ * @author Tobias Weber <tweber@ill.fr>
+ * @date Maz-2022
+ * @license GPLv3, see 'LICENSE' file
+ *
+ * ----------------------------------------------------------------------------
+ * mag-core (part of the Takin software suite)
+ * Copyright (C) 2018-2022  Tobias WEBER (Institut Laue-Langevin (ILL),
+ *                          Grenoble, France).
+ * "misc" project
+ * Copyright (C) 2017-2021  Tobias WEBER (privately developed).
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, version 3 of the License.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ * ----------------------------------------------------------------------------
+ */
+
+#ifndef __BZTOOL_GLOBALS_H__
+#define __BZTOOL_GLOBALS_H__
+
+
+#include <boost/math/quaternion.hpp>
+namespace math = boost::math;
+
+#include "tlibs2/libs/maths.h"
+#include "tlibs2/libs/qt/gl.h"
+
+using t_real = double;
+using t_vec = tl2::vec<t_real, std::vector>;
+using t_mat = tl2::mat<t_real, std::vector>;
+using t_quat = math::quaternion<t_real>;
+
+using t_real_gl = tl2::t_real_gl;
+using t_vec2_gl = tl2::t_vec2_gl;
+using t_vec3_gl = tl2::t_vec3_gl;
+using t_vec_gl = tl2::t_vec_gl;
+using t_mat_gl = tl2::t_mat_gl;
+
+
+constexpr t_real g_eps = 1e-6;
+constexpr int g_prec = 6;
+
+
+#endif

tools/bz/plot_cut.cpp

+/**
+ * brillouin zone tool
+ * @author Tobias Weber <tweber@ill.fr>
+ * @date May-2022
+ * @license GPLv3, see 'LICENSE' file
+ *
+ * ----------------------------------------------------------------------------
+ * mag-core (part of the Takin software suite)
+ * Copyright (C) 2018-2022  Tobias WEBER (Institut Laue-Langevin (ILL),
+ *                          Grenoble, France).
+ * "misc" project
+ * Copyright (C) 2017-2021  Tobias WEBER (privately developed).
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, version 3 of the License.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ * ----------------------------------------------------------------------------
+ */
+
+#include "plot_cut.h"
+
+
+// --------------------------------------------------------------------------------
+BZCutScene::BZCutScene(QWidget *parent) : QGraphicsScene(parent)
+{
+	//addLine(QLineF(0,0, 10,10));
+}
+
+
+BZCutScene::~BZCutScene()
+{
+}
+// --------------------------------------------------------------------------------
+
+
+
+// --------------------------------------------------------------------------------
+BZCutView::BZCutView(BZCutScene* scene)
+	: QGraphicsView(scene, static_cast<QWidget*>(scene->parent()))
+{
+	setRenderHints(QPainter::Antialiasing | QPainter::TextAntialiasing);
+	setDragMode(QGraphicsView::ScrollHandDrag);
+	setInteractive(true);
+	setMouseTracking(true);
+}
+
+
+BZCutView::~BZCutView()
+{
+}
+
+
+void BZCutView::wheelEvent(QWheelEvent *evt)
+{
+	t_real sc = std::pow(2., evt->angleDelta().y()/8.*0.01);
+	QGraphicsView::scale(sc, sc);
+}
+// --------------------------------------------------------------------------------

tools/bz/plot_cut.h

+/**
+ * brillouin zone tool
+ * @author Tobias Weber <tweber@ill.fr>
+ * @date May-2022
+ * @license GPLv3, see 'LICENSE' file
+ *
+ * ----------------------------------------------------------------------------
+ * mag-core (part of the Takin software suite)
+ * Copyright (C) 2018-2022  Tobias WEBER (Institut Laue-Langevin (ILL),
+ *                          Grenoble, France).
+ * "misc" project
+ * Copyright (C) 2017-2021  Tobias WEBER (privately developed).
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, version 3 of the License.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ * ----------------------------------------------------------------------------
+ */
+
+#ifndef __BZCUT_H__
+#define __BZCUT_H__
+
+#include <QtWidgets/QGraphicsScene>
+#include <QtWidgets/QGraphicsView>
+#include <QtWidgets/QGraphicsItem>
+#include <QtGui/QWheelEvent>
+
+#include "globals.h"
+
+
+class BZCutScene : public QGraphicsScene
+{
+public:
+	BZCutScene(QWidget *parent = nullptr);
+	virtual ~BZCutScene();
+
+
+protected:
+};
+
+
+class BZCutView : public QGraphicsView
+{
+public:
+	BZCutView(BZCutScene* scene);
+	virtual ~BZCutView();
+
+
+protected:
+	virtual void wheelEvent(QWheelEvent *evt) override;
+};
+
+
+#endif