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examples/PinnedH2O_3DOF/plot_PinnedH2O_3DOF.py

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+import matplotlib
+import matplotlib.pyplot as plt
+import numpy as np
+
+ref_bondlength = 1.83
+ref_bondangle = 104.5
+
+# factors and increments for bond lengths and bond angle
+bondlength_factor = np.linspace(0.95, 1.05, 3)
+bondangle_increment = np.linspace(-5, 5, 3)
+
+fig, ax = plt.subplots()
+
+for d_bondangle in bondangle_increment:
+    bondangle = ref_bondangle + d_bondangle
+    x = ref_bondlength * np.cos(np.radians(bondangle / 2))
+    y = ref_bondlength * np.sin(np.radians(bondangle / 2))
+    for i, f_bondlength1 in enumerate(bondlength_factor):
+        H1_x = f_bondlength1*x
+        H1_y = f_bondlength1*y
+        ax.plot(H1_x, H1_y, 'ro', markersize=8, alpha=0.1)
+        for f_bondlength2 in bondlength_factor[:(i+1)]:
+            H2_x = f_bondlength2*x
+            H2_y = -f_bondlength2*y
+            ax.plot(H2_x, H2_y, 'bo', markersize=8, alpha=0.1)
+
+ref_bondangle = np.radians(ref_bondangle)
+x = ref_bondlength * np.cos(ref_bondangle / 2)
+y = ref_bondlength * np.sin(ref_bondangle / 2)
+
+ax.plot([0, x], [0, y], 'r-', lw=2)
+ax.plot([0, x], [0, -y], 'b-', lw=2)
+ax.plot(0, 0, 'ko', markersize=8)
+ax.plot(x, y, 'ro', markersize=8)
+ax.plot(x, -y, 'bo', markersize=8)
+
+arc1 = matplotlib.patches.Arc(xy=(0, 0), 
+                             width=0.5,
+                             height=0.5, 
+                             angle=0, 
+                             theta1=0, 
+                             theta2=ref_bondangle/2,
+                             color='red',
+                             linewidth=2)
+ax.add_patch(arc1)
+ax.text(0.4, 0.25, r"$\frac{\theta}{2}$", ha='center', va='center', fontsize=12, color='red') 
+
+arc2 = matplotlib.patches.Arc(xy=(0, 0), 
+                             width=0.5,
+                             height=0.5, 
+                             angle=0, 
+                             theta1=-ref_bondangle/2,
+                             theta2=0, 
+                             color='blue',
+                             linewidth=2)
+ax.add_patch(arc2)
+ax.text(0.4, -0.25, r"$\frac{\theta}{2}$", ha='center', va='center', fontsize=12, color='blue') 
+
+ax.text(x / 2 - 0.1, y / 2, r"$L_1$", ha='right', color='red')
+ax.text(x / 2 - 0.1, -y / 2, r"$L_2$", ha='right', color='blue')
+
+ax.plot([-2, 2], [0, 0], 'k--', lw=1)
+ax.set_xlim(-2.0, 2.0)
+ax.set_ylim(-2.0, 2.0)
+ax.set_aspect('equal')
+ax.set_xlabel("x")
+ax.set_ylabel("y")
+ax.grid(True)
+plt.savefig("PinnedH2O_3DOF.png")