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Copy pathcreate_palabos_input_file.py
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create_palabos_input_file.py
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def create_palabos_input_file(inputs):
if inputs['simulation type'] == '1-phase':
input_file_name = '1_phase_sim_input.xml'
create_one_phase_input_file(inputs, input_file_name)
elif inputs['simulation type'] == '2-phase':
input_file_name = '2_phase_sim_input.xml'
create_two_phase_input_file(inputs, input_file_name)
elif inputs['simulation type'] == 'rel perm':
input_file_name = 'relperm_input.xml'
create_relperm_input_file(inputs, input_file_name)
return
def create_one_phase_input_file(inputs, input_file_name):
geom_name = inputs['domain']['geom name']
nx = inputs['domain']['domain size']['nx']
ny = inputs['domain']['domain size']['ny']
nz = inputs['domain']['domain size']['nz']
num_layers = inputs['domain']['inlet and outlet layers']
domain_size = [nx+(2*num_layers), ny, nz]
per_x = inputs['domain']['periodic boundary']['x']
per_y = inputs['domain']['periodic boundary']['y']
per_z = inputs['domain']['periodic boundary']['z']
periodic = [per_x, per_y, per_z]
io_folders = [inputs['input output']['input folder'], inputs['input output']['output folder']]
# perm_model = inputs['simulation']['perm model']
num_geoms_or_sims = inputs['simulation']['num geoms']
pressure = inputs['simulation']['pressure']
max_iter = inputs['simulation']['max iterations']
convergence = inputs['simulation']['convergence']
save_vtks = inputs['simulation']['save vtks']
# Parse geometry inputs
x_size = domain_size[0]
y_size = domain_size[1]
z_size = domain_size[2]
periodic_x = periodic[0]
periodic_y = periodic[1]
periodic_z = periodic[2]
# Parse i/o inputs
input_folder = io_folders[0]
output_folder = io_folders[1]
# Create/open input file
file = open(f'{input_folder}{input_file_name}', 'w')
file.write('<?xml version="1.0" ?>\n\n') # Write xml header
# Write geometry section
file.write('<geometry>\n')
# Geometry name
file.write(f'\t<file_geom> {geom_name} </file_geom>\n')
# Geometry size
file.write(f'\t<size> <x> {x_size} </x> <y> {y_size} </y> <z> {z_size} </z> </size>\n')
# Periodicity
file.write(f'\t<per> <x> {periodic_x} </x> <y> {periodic_y} </y> <z> {periodic_z} </z> </per>\n')
file.write('</geometry>\n\n')
# Write i/o section
file.write('<folder>\n')
# Input folder name
file.write(f'\t<in_f> {input_folder} </in_f>\n')
# Output folder name
file.write(f'\t<out_f> {output_folder} </out_f>\n')
file.write('</folder>\n\n')
# Write simulation section
file.write('<simulations>\n')
# # Permeability model
# file.write(f'\t<perm_model> {perm_model} </perm_model>\n')
# Number of sims/geometries
file.write(f'\t<num> {num_geoms_or_sims} </num>\n')
# Pressure
file.write(f'\t<press> {pressure} </press>\n')
# Max simulation iterations
file.write(f'\t<iter> {max_iter} </iter>\n')
# Convergence
file.write(f'\t<conv> {convergence} </conv>\n')
# Save vtks
file.write(f'\t<vtk_out> {save_vtks} </vtk_out>\n')
file.write('</simulations>')
file.close()
return
def create_two_phase_input_file(inputs, input_file_name):
geom_name = inputs['domain']['geom name']
nx = inputs['domain']['domain size']['nx']
ny = inputs['domain']['domain size']['ny']
nz = inputs['domain']['domain size']['nz']
num_layers = inputs['domain']['inlet and outlet layers']
domain_size = [nx+(2*num_layers), ny, nz]
per_x = inputs['domain']['periodic boundary']['x']
per_y = inputs['domain']['periodic boundary']['y']
per_z = inputs['domain']['periodic boundary']['z']
periodic = [per_x, per_y, per_z]
io_folders = [inputs['input output']['input folder'], inputs['input output']['output folder']]
restart_sim = inputs['simulation']['restart sim']
rho_f1 = inputs['simulation']['rho_f1']
rho_f2 = inputs['simulation']['rho_f2']
force_f1 = inputs['simulation']['force_f1']
force_f2 = inputs['simulation']['force_f2']
pressure_bc = inputs['simulation']['pressure bc']
if pressure_bc == True:
minimum_radius = inputs['simulation']['minimum radius']
num_pc_steps = inputs['simulation']['num pressure steps']
else:
minimum_radius = 1
num_pc_steps = 0
load_fluid_type = inputs["simulation"]["fluid init"]
if load_fluid_type == 'geom':
load_fluid_from_geom = True
else:
load_fluid_from_geom = False
fluid1_x1 = inputs['simulation']['fluid 1 init']['x1']
fluid1_x2 = inputs['simulation']['fluid 1 init']['x2']
fluid1_y1 = inputs['simulation']['fluid 1 init']['y1']
fluid1_y2 = inputs['simulation']['fluid 1 init']['y2']
fluid1_z1 = inputs['simulation']['fluid 1 init']['z1']
fluid1_z2 = inputs['simulation']['fluid 1 init']['z2']
fluid2_x1 = inputs['simulation']['fluid 2 init']['x1']
fluid2_x2 = inputs['simulation']['fluid 2 init']['x2']
fluid2_y1 = inputs['simulation']['fluid 2 init']['y1']
fluid2_y2 = inputs['simulation']['fluid 2 init']['y2']
fluid2_z1 = inputs['simulation']['fluid 2 init']['z1']
fluid2_z2 = inputs['simulation']['fluid 2 init']['z2']
Gc = inputs['simulation']['fluid data']['Gc']
omega_f1 = inputs['simulation']['fluid data']['omega_f1']
omega_f2 = inputs['simulation']['fluid data']['omega_f2']
G_ads_f1_s1 = inputs['simulation']['fluid data']['G_ads_f1_s1']
G_ads_f1_s2 = inputs['simulation']['fluid data']['G_ads_f1_s2']
G_ads_f1_s3 = inputs['simulation']['fluid data']['G_ads_f1_s3']
G_ads_f1_s4 = inputs['simulation']['fluid data']['G_ads_f1_s4']
convergence = inputs['simulation']['convergence']
convergence_iter = inputs['simulation']['convergence iter']
max_iter = inputs['simulation']['max iterations']
save_sim = inputs['simulation']['save sim']
save_iter = inputs['simulation']['save iter']
gif_iter = inputs['simulation']['gif iter']
vtk_iter = inputs['simulation']['vtk iter']
rho_f2_vtk = inputs['simulation']['rho_f2_vtk']
print_geom = inputs['simulation']['print geom']
print_stl = inputs['simulation']['print stl']
# Parse geometry inputs
x_size = domain_size[0]
y_size = domain_size[1]
z_size = domain_size[2]
periodic_x = periodic[0]
periodic_y = periodic[1]
periodic_z = periodic[2]
# Parse i/o inputs
input_folder = io_folders[0]
output_folder = io_folders[1]
# Create/open input file
file = open(f'{input_folder}{input_file_name}', 'w')
file.write('<?xml version="1.0" ?>\n\n') # Write xml header
# Restart sim?
file.write(f'<load_savedstated> {restart_sim} </load_savedstated>\n\n')
# Write geometry section
file.write('<geometry>\n')
# Geometry name
file.write(f'\t<file_geom> {input_folder}{geom_name}.dat </file_geom>\n')
# Geometry size
file.write(f'\t<size> <x> {x_size} </x> <y> {y_size} </y> <z> {z_size} </z> </size>\n')
# Periodicity
file.write(f'\t<per>\n')
file.write(f'\t\t<fluid1> <x> {periodic_x} </x> <y> {periodic_y} </y> <z> {periodic_z} </z> </fluid1>\n')
file.write(f'\t\t<fluid2> <x> {periodic_x} </x> <y> {periodic_y} </y> <z> {periodic_z} </z> </fluid2>\n')
file.write(f'\t</per>\n')
file.write('</geometry>\n\n')
# Write initial position of fluids
file.write(f'<init>\n')
file.write(f'\t<fluid_from_geom> {load_fluid_from_geom} </fluid_from_geom>\n')
file.write(f'\t<fluid1>\n')
file.write(f'\t\t <x1> {fluid1_x1} </x1> <y1> {fluid1_y1} </y1> <z1> {fluid1_z1} </z1>\n')
file.write(f'\t\t <x2> {fluid1_x2} </x2> <y2> {fluid1_y2} </y2> <z2> {fluid1_z2} </z2>\n')
file.write(f'\t</fluid1>\n')
file.write(f'\t<fluid2>\n')
file.write(f'\t\t <x1> {fluid2_x1} </x1> <y1> {fluid2_y1} </y1> <z1> {fluid2_z1} </z1>\n')
file.write(f'\t\t <x2> {fluid2_x2} </x2> <y2> {fluid2_y2} </y2> <z2> {fluid2_z2} </z2>\n')
file.write(f'\t</fluid2>\n')
file.write('</init>\n\n')
# Write fluid data
file.write('<fluids>\n')
file.write(f'\t<Gc> {Gc} </Gc>\n')
file.write(f'\t<omega_f1> {omega_f1} </omega_f1>\n')
file.write(f'\t<omega_f2> {omega_f2} </omega_f2>\n')
file.write(f'\t<force_f1> {force_f1} </force_f1>\n')
file.write(f'\t<force_f2> {force_f2} </force_f2>\n')
file.write(f'\t<G_ads_f1_s1> {G_ads_f1_s1} </G_ads_f1_s1>\n')
file.write(f'\t<G_ads_f1_s2> {G_ads_f1_s2} </G_ads_f1_s2>\n')
file.write(f'\t<G_ads_f1_s3> {G_ads_f1_s3} </G_ads_f1_s3>\n')
file.write(f'\t<G_ads_f1_s4> {G_ads_f1_s4} </G_ads_f1_s4>\n')
file.write(f'\t<rho_f1> {rho_f1} </rho_f1>\n')
file.write(f'\t<rho_f2> {rho_f2} </rho_f2>\n')
file.write(f'\t<pressure_bc> {pressure_bc} </pressure_bc>\n')
file.write(f'\t<rho_f1_i> {rho_f1} </rho_f1_i>\n')
file.write(f'\t<rho_f2_i> {rho_f2} </rho_f2_i>\n')
file.write(f'\t<num_pc_steps> {num_pc_steps} </num_pc_steps>\n')
file.write(f'\t<min_radius> {minimum_radius} </min_radius>\n')
file.write(f'\t<rho_d> 0.06 </rho_d>\n')
file.write('</fluids>\n\n')
# Write output section
file.write('<output>\n')
file.write(f'\t<out_folder> {output_folder} </out_folder>\n')
file.write(f'\t<save_it> {save_iter} </save_it>\n')
file.write(f'\t<save_sim> {save_sim} </save_sim>\n')
file.write(f'\t<convergence> {convergence} </convergence>\n')
file.write(f'\t<it_max> {max_iter} </it_max>\n')
file.write(f'\t<it_conv> {convergence_iter} </it_conv>\n')
file.write(f'\t<it_gif> {gif_iter} </it_gif>\n')
file.write(f'\t<rho_vtk> {rho_f2_vtk} </rho_vtk>\n')
file.write(f'\t<it_vtk> {vtk_iter} </it_vtk>\n')
file.write(f'\t<print_geom> {print_geom} </print_geom>\n')
file.write(f'\t<print_stl> {print_stl} </print_stl>\n')
file.write('</output>')
file.close()
return
def create_relperm_input_file(inputs, input_file_name):
geom_name = inputs['domain']['geom name']
nx = inputs['domain']['domain size']['nx']
ny = inputs['domain']['domain size']['ny']
nz = inputs['domain']['domain size']['nz']
num_layers = 2
domain_size = [nx+(2*num_layers), ny, nz]
per_x = inputs['domain']['periodic boundary']['x']
per_y = inputs['domain']['periodic boundary']['y']
per_z = inputs['domain']['periodic boundary']['z']
periodic = [per_x, per_y, per_z]
io_folders = [inputs['input output']['input folder'], inputs['input output']['output folder']]
# perm_model = inputs['simulation']['perm model']
num_geoms_or_sims = inputs['rel perm']['num_geoms']
pressure = inputs['rel perm']['pressure']
max_iter = inputs['rel perm']['max iterations']
convergence = inputs['rel perm']['convergence']
save_vtks = inputs['rel perm']['save vtks']
# Parse geometry inputs
x_size = domain_size[0]
y_size = domain_size[1]
z_size = domain_size[2]
periodic_x = periodic[0]
periodic_y = periodic[1]
periodic_z = periodic[2]
# Parse i/o inputs
input_folder = io_folders[0]
output_folder = io_folders[1] + '4relperm/'
# Create/open input file
file = open(f'{input_folder}{input_file_name}', 'w')
file.write('<?xml version="1.0" ?>\n\n') # Write xml header
# Write geometry section
file.write('<geometry>\n')
# Geometry name
file.write(f'\t<file_geom> {geom_name} </file_geom>\n')
# Geometry size
file.write(f'\t<size> <x> {x_size} </x> <y> {y_size} </y> <z> {z_size} </z> </size>\n')
# Periodicity
file.write(f'\t<per> <x> {periodic_x} </x> <y> {periodic_y} </y> <z> {periodic_z} </z> </per>\n')
file.write('</geometry>\n\n')
# Write i/o section
file.write('<folder>\n')
# Input folder name
file.write(f'\t<in_f> {input_folder} </in_f>\n')
# Output folder name
file.write(f'\t<out_f> {output_folder} </out_f>\n')
file.write('</folder>\n\n')
# Write simulation section
file.write('<simulations>\n')
# # Permeability model
# file.write(f'\t<perm_model> {perm_model} </perm_model>\n')
# Number of sims/geometries
file.write(f'\t<num> {num_geoms_or_sims} </num>\n')
# Pressure
file.write(f'\t<press> {pressure} </press>\n')
# Max simulation iterations
file.write(f'\t<iter> {max_iter} </iter>\n')
# Convergence
file.write(f'\t<conv> {convergence} </conv>\n')
# Save vtks
file.write(f'\t<vtk_out> {save_vtks} </vtk_out>\n')
file.write('</simulations>')
file.close()
return