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script/DropDeform_main.py

+"""
+Droplet Deformation (DropDeform)
+
+Determine droplet deformation into Polyhedron Shape.
+
+Source code of DropDeform: https://git.rwth-aachen.de/avt-fvt/public/droplet-deformation/
+
+The source code of DropDeform is licensed under the Eclipse Public License v2.0 (EPL 2.0).
+Copyright (c) 2025 Fluid Process Engineering (AVT.FVT), RWTH Aachen University.
+Written by Stepan Sibirtsev
+
+The coyprights and license terms are given in LICENSE.
+
+This is the main script to execute DropDeform.
+Script version date: 06.01.2025
+"""  
+
+""" Import packages """
+import os
+import warnings
+import time
+import numpy as np
+""" Import configuration """
+import DropDeform_config as config
+""" Import polyhedral shape parameters """
+import DropDeform_poly as poly
+""" Import droplet deformation model related functions """
+from DropDeform_deform import calc_deform
+""" Import Bond number correlation related functions """
+from DropDeform_bo import calc_pars_bo
+""" Import data export related functions """
+from DropDeform_excel import save_excel 
+""" Solver warning messages """ 
+if config.display_solver_warnings == False:
+    warnings.filterwarnings("ignore") 
+""" Simulation starts from here """
+# Time stamp overall simulation
+start_sim_total = time.time()  
+# Assign output file folder
+NAME_OUTPUT_FILE = (config.name_output_file + '.xls')
+ROOT_DIR_OUTPUT = os.path.abspath("../output")
+# Check if the folder exists
+if not os.path.exists(ROOT_DIR_OUTPUT):
+    # Create the folder
+    os.makedirs(ROOT_DIR_OUTPUT)
+""" MAIN """
+if __name__ == "__main__":
+    # Time stamp deformation caclulation
+    start_sim_deform = time.time()
+    # Droplet diameters 
+    d = np.linspace(config.d_min, config.d_max, config.n_steps)
+    # Pressures
+    p = np.linspace(config.p_min, config.p_max, config.n_steps)
+    # Interfacial tensions
+    sigma = np.linspace(config.sigma_min, config.sigma_max, config.n_steps)
+    # Define polyhedron shape names
+    shape_names = ['Tetrahedron', 'Cube', 'Octahedron', 'Dodecahedron', 'Icosahedron']
+    # Create index mappings
+    shape_names_ind = {j: shape_names[j] for j in range(len(shape_names))}
+    # Prediefine matrix to store the deformation parameter and polyhedron volume: M_deform = [Bo, r_a][Bo, r_f][Bo, eps] 
+    # Bo = Bond number
+    # r_a = droplet's curvature radius normalized by droplet diameter
+    # r_f = droplet's contact area radius normalized by droplet diameter
+    # eps = volume ratio between droplet's volume and its polyhedron volume
+    M_deform = np.zeros((3, config.n_steps**3, 6))
+    # Calculate droplet deformation and the corresponding polyhedron parameter: 
+    M_deform = calc_deform(config, poly, p, sigma, d, M_deform, shape_names_ind)
+    # Determine fitting parameter of Bond correlations
+    D_bo = calc_pars_bo(config, poly, M_deform, shape_names, shape_names_ind)
+    """ Save results as Excel sheet. """
+    save_excel(ROOT_DIR_OUTPUT, NAME_OUTPUT_FILE, M_deform)
+    print('Simulation completed')
+    print('Total simulation time:')
+    print("--- %s seconds ---" % (time.time() - start_sim_deform))