First tentative to bluid a GUI

src/elasticigui.py

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+import sys
+from time import monotonic
+
+import numpy as np
+from PyQt5.QtWidgets import (
+    QApplication, QMainWindow, QComboBox, QGridLayout, QLabel,
+    QLineEdit, QPushButton, QVBoxLayout, QWidget
+)
+from matplotlib.backends.backend_qt5agg import FigureCanvasQTAgg as FigureCanvas
+from matplotlib.figure import Figure
+from Elasticipy.FourthOrderTensor import StiffnessTensor
+
+class SymmetryRelationships:
+    def __init__(self, active_cells=(), equal_cells=(), opposite_cells=(), halfC11_C12=()):
+        self.active = active_cells
+        self.equal = equal_cells
+        self.opposite = opposite_cells
+        self.half = halfC11_C12
+
+isotropic=SymmetryRelationships(active_cells=[(0, 0), (0, 1)],
+                                equal_cells=[((0, 0), [(1, 1), (2, 2)]),
+                                             ((0, 1), [(0, 2), (1, 2)]),
+                                             ((3, 3), [(4, 4), (5, 5)])],
+                                halfC11_C12=[(3, 3), (4, 4), (5, 5)])
+cubic=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (3, 3)],
+                            equal_cells=[((0, 0), [(1, 1), (2, 2)]),
+                                         ((0, 1), [(0, 2), (1, 2)]),
+                                         ((3, 3), [(4, 4), (5, 5)])])
+hexagonal=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (0, 2), (2, 2), (3, 3)],
+                                equal_cells=[((0, 0), [(1, 1)]),
+                                             ((0, 2), [(1, 2)]),
+                                             ((3, 3), [(4, 4)])],
+                                halfC11_C12=[(5, 5)])
+tetragonal_1=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (0, 2), (0, 5), (2, 2), (3, 3), (5, 5)],
+                                   equal_cells=[((0, 0), [(1, 1)]),
+                                                ((0, 2), [(1, 2)]),
+                                                ((3, 3), [(4, 4)])],
+                                   opposite_cells=[((0, 5), [(1, 5)])])
+tetragonal_2=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (0, 2), (2, 2), (3, 3), (5, 5)],
+                                   equal_cells=[((0, 0), [(1, 1)]),
+                                                ((0, 2), [(1, 2)]),
+                                                ((3, 3), [(4, 4)])])
+trigonal_1=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (0, 2), (0, 3), (0, 4), (2, 2), (3, 3)],
+                                 equal_cells=[((0, 0), [(1, 1)]),
+                                              ((0, 2), [(1, 2)]),
+                                              ((0, 3), [(4, 5)]),
+                                              ((3, 3), [(4, 4)]),],
+                                 opposite_cells=[((0, 3), [(1, 3)]),
+                                                 ((0, 4), [(1, 4), (3, 5)]),],
+                                 halfC11_C12=[(5, 5)])
+trigonal_2=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (0, 2), (0, 3), (2, 2), (3, 3)],
+                                 equal_cells=[((0, 0), [(1, 1)]),
+                                              ((0, 2), [(1, 2)]),
+                                              ((3, 3), [(4, 4)]),
+                                              ((0, 3), [(4, 5)])],
+                                 opposite_cells=[((0, 3), [(1, 3)])],
+                                 halfC11_C12=[(5, 5)])
+orthorhombic=SymmetryRelationships(active_cells=[(0, 0), (0, 1), (0, 2), (1, 1), (1, 2), (2, 2), (3, 3), (4, 4), (5, 5)])
+active_cell_monoclinic_0 = [(0, 0), (0, 1), (0, 2), (1, 1), (1, 2), (2, 2), (3, 3), (4, 4), (5, 5)]
+monoclinic1=SymmetryRelationships(active_cells= active_cell_monoclinic_0 + [(0, 4), (1, 4), (2, 4), (3, 5)])
+monoclinic2=SymmetryRelationships(active_cells= active_cell_monoclinic_0 + [(0, 5), (1, 5), (2, 5), (3, 4)])
+triclinic=SymmetryRelationships(active_cells=[(i, j) for i in range(6) for j in range(6)])
+
+SYMMETRIES = {'isotropic': isotropic, 'cubic': cubic, 'hexagonal': hexagonal,
+              'tetragonal_1':tetragonal_1, 'tetragonal_2':tetragonal_2,
+              'trigonal_1':trigonal_1, 'trigonal_2':trigonal_2,
+              'orthorhombic': orthorhombic, 'monoclinic_1': monoclinic1, 'monoclinic_2': monoclinic2,
+              'triclinic': triclinic}
+
+SPACE_GROUPS = {'trigonal':   ["3, -3", "32, -3m, 3m"],
+                'tetragonal': ["4, -4, 4/m", "4mm, -42m, 422, 4/mmm"]}
+
+class ElasticityGUI(QMainWindow):
+    def __init__(self):
+        super().__init__()
+        self.setWindowTitle("Elasticipy - GUI")
+        self.initUI()
+
+    def selected_symmetry(self):
+        symmetry = self.symmetry_selector.currentText()
+        if symmetry == "Trigonal" or symmetry == "Tetragonal":
+            symmetry = symmetry + '_{}'.format(self.space_group_selector.currentIndex() + 1)
+        elif symmetry == "Monoclinic":
+            symmetry = symmetry + '_{}'.format(self.diag_selector.currentIndex() + 1)
+        return SYMMETRIES[symmetry.lower()]
+
+    def initUI(self):
+        # Layout principal
+        main_layout = QVBoxLayout()
+
+        # Choix de la symétrie
+        self.symmetry_selector = QComboBox()
+        self.symmetry_selector.addItems(["Isotropic", "Cubic", "Hexagonal", "Tetragonal",
+                                         "Trigonal", "Orthorhombic", "Monoclinic", "Triclinic"])
+        self.symmetry_selector.currentIndexChanged.connect(self.update_fields)
+        main_layout.addWidget(QLabel("Crystal symmetry:"))
+        main_layout.addWidget(self.symmetry_selector)
+
+        self.space_group_selector = QComboBox()
+        self.space_group_selector.addItems(['', ''])
+        self.space_group_selector.currentIndexChanged.connect(self.update_fields)
+        main_layout.addWidget(QLabel("Space group symmetry:"))
+        main_layout.addWidget(self.space_group_selector)
+
+        self.diag_selector = QComboBox()
+        self.diag_selector.addItems([
+            "diad || x2", "diad || x3"
+        ])
+        main_layout.addWidget(QLabel("Diad convention"))
+        main_layout.addWidget(self.diag_selector)
+
+        # Champs de saisie pour les coefficients
+        self.coefficient_fields = {}
+        grid = QGridLayout()
+        for i in range(6):
+            for j in range(i, 6):
+                field = QLineEdit()
+                field.setPlaceholderText(f"C{i+1}{j+1}")
+                self.coefficient_fields[(i, j)] = field
+                field.textChanged.connect(self.update_dependent_fields)
+                grid.addWidget(field, i, j)
+        main_layout.addLayout(grid)
+
+        # Bouton pour afficher
+        self.calculate_button = QPushButton("Plot")
+        self.calculate_button.clicked.connect(self.calculate_and_plot)
+        main_layout.addWidget(self.calculate_button)
+
+        # Zone pour le graphique
+        self.figure = Figure()
+        self.canvas = FigureCanvas(self.figure)
+        main_layout.addWidget(self.canvas)
+
+        # Définit le widget principal
+        central_widget = QWidget()
+        central_widget.setLayout(main_layout)
+        self.setCentralWidget(central_widget)
+
+    def update_fields(self):
+        active_fields = self.selected_symmetry().active
+        for (i, j), field in self.coefficient_fields.items():
+            field.setEnabled((i, j) in active_fields)
+        if self.symmetry_selector.currentText() == "Trigonal" or self.symmetry_selector.currentText() == "Tetragonal":
+            self.space_group_selector.setEnabled(True)
+            for i in range(2):
+                self.space_group_selector.setItemText(i, SPACE_GROUPS[self.symmetry_selector.currentText().lower()][i])
+        else:
+            self.space_group_selector.setEnabled(False)
+
+
+    def calculate_and_plot(self):
+        """Récupère les données, calcule et affiche."""
+        # Collecte des coefficients
+        coefficients = np.zeros((6, 6))
+        for (i, j), field in self.coefficient_fields.items():
+            try:
+                coefficients[i, j] = float(field.text())
+            except ValueError:
+                coefficients[i, j] = 0
+
+        # Création du tenseur
+        C = np.array(coefficients)
+        stiff = StiffnessTensor(C + np.tril(C.T, -1))
+
+        # Exemple : Plot 3D
+        E = stiff.Young_modulus
+        self.figure.clear()
+        E.plot3D(fig=self.figure)
+        self.canvas.draw()
+
+    def update_dependent_fields(self):
+        symmetry = self.selected_symmetry()
+        for equality in symmetry.equal:
+            try:
+                ref_value = float(self.coefficient_fields[equality[0]].text())
+                for index in equality[1]:
+                        self.coefficient_fields[index].setText(f"{ref_value}")
+            except ValueError:
+                pass
+        for opposite in symmetry.opposite:
+            try:
+                ref_value = float(self.coefficient_fields[opposite[0]].text())
+                for index in opposite[1]:
+                        self.coefficient_fields[index].setText(f"{-ref_value}")
+            except ValueError:
+                pass
+        if symmetry.half:
+            try:
+                C11 = float(self.coefficient_fields[(0, 0)].text())
+                C12 = float(self.coefficient_fields[(0, 1)].text())
+                for index in symmetry.half:
+                    self.coefficient_fields[index].setText(f"{0.5*(C11-C12)}")
+            except ValueError:
+                pass
+
+if __name__ == "__main__":
+    app = QApplication(sys.argv)
+    window = ElasticityGUI()
+    window.show()
+    sys.exit(app.exec_())