feat: added julia BTCS implementation

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nebmit 2023-11-19 20:30:58 +01:00
parent ee77b5f7f3
commit d6df09ca5f
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import argparse
import csv
import sys
def read_matrices_from_csv(file_path):
with open(file_path, newline='') as csvfile:
reader = csv.reader(csvfile, delimiter=' ', skipinitialspace=True)
matrices, matrix, line_numbers = [], [], []
line_number = 0
for row in reader:
line_number += 1
if row:
matrix.append([float(item) for item in row])
line_numbers.append(line_number)
else:
if matrix:
matrices.append((matrix, line_numbers))
matrix, line_numbers = [], []
if matrix: # Add the last matrix if there's no blank line at the end
matrices.append((matrix, line_numbers))
return matrices
def compare_matrices(matrix_a_tuple, matrix_b_tuple, tolerance=0.01):
data_a, line_numbers_a = matrix_a_tuple
data_b, line_numbers_b = matrix_b_tuple
max_diff = 0
if len(data_a) != len(data_b):
return False, f"Matrix size mismatch: Matrix A has {len(data_a)} rows, Matrix B has {len(data_b)} rows.", None, None, max_diff
for row_index, (row_a, row_b, line_num_a, line_num_b) in enumerate(zip(data_a, data_b, line_numbers_a, line_numbers_b)):
if len(row_a) != len(row_b):
return False, f"Row size mismatch at line {line_num_a} (File A) and line {line_num_b} (File B).", line_num_a, line_num_b, max_diff
for col_index, (elem_a, elem_b) in enumerate(zip(row_a, row_b)):
if abs(elem_a - elem_b) > max_diff:
max_diff = abs(elem_a - elem_b)
if abs(elem_a - elem_b) > tolerance:
return False, f"Mismatch at line {line_num_a}, column {col_index+1} (File A) vs line {line_num_b}, column {col_index+1} (File B):\nA({elem_a}) vs B({elem_b}).", line_num_a, line_num_b, max_diff
return True, "Matrices are equal.", None, None, max_diff
def compare_csv_files(file_path1, file_path2, tolerance=0.01):
matrices1 = read_matrices_from_csv(file_path1)
matrices2 = read_matrices_from_csv(file_path2)
max_difference = 0
if len(matrices1) != len(matrices2):
return False, "Number of matrices in files do not match.", None, None, max_difference
for index, (matrix_a_tuple, matrix_b_tuple) in enumerate(zip(matrices1, matrices2)):
equal, message, line_num_a, line_num_b, max_diff = compare_matrices(matrix_a_tuple, matrix_b_tuple, tolerance)
if max_diff > max_difference:
max_difference = max_diff
if not equal:
return False, f"In Matrix pair {index}: {message}", line_num_a, line_num_b, max_difference
return True, "All matrices are equal.", None, None, max_difference
def main():
parser = argparse.ArgumentParser(description='Compare two CSV files containing matrices.')
parser.add_argument('file_a', help='Path to File A')
parser.add_argument('file_b', help='Path to File B')
parser.add_argument('--tolerance', type=float, default=0.01, help='Tolerance for comparison (default: 0.01)')
parser.add_argument('--silent', action='store_true', help='Run in silent mode without printing details')
args = parser.parse_args()
are_equal, message, line_num_a, line_num_b, max_difference = compare_csv_files(args.file_a, args.file_b, args.tolerance)
if not args.silent:
print(message)
if not are_equal:
sys.exit(1)
if __name__ == "__main__":
main()

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#include <Eigen/Eigen>
#include <tug/Simulation.hpp>
using namespace Eigen;
using namespace tug;
int main(int argc, char *argv[])
{
// **** GRID ****
int rows = 100;
int cols = 100;
Grid64 grid(rows, cols);
MatrixXd concentrations = MatrixXd::Constant(rows, cols, 0);
concentrations(10, 10) = 2000;
concentrations(90, 90) = 2000;
grid.setConcentrations(concentrations);
MatrixXd alphax = MatrixXd::Constant(rows, cols, 1);
MatrixXd alphay = MatrixXd::Constant(rows, cols, 1);
grid.setAlpha(alphax, alphay);
// **** BOUNDARY ****
Boundary bc = Boundary(grid);
bc.setBoundarySideConstant(BC_SIDE_LEFT, 1);
bc.setBoundarySideConstant(BC_SIDE_RIGHT, 1);
bc.setBoundarySideConstant(BC_SIDE_TOP, 0);
bc.setBoundarySideConstant(BC_SIDE_BOTTOM, 2);
// **** SIMULATION ****
Simulation simulation = Simulation(grid, bc);
simulation.setTimestep(0.05);
simulation.setIterations(1000);
simulation.setOutputCSV(CSV_OUTPUT_VERBOSE);
simulation.setOutputConsole(CONSOLE_OUTPUT_OFF);
// **** RUN SIMULATION ****
simulation.run();
}

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#include <Eigen/Eigen>
#include <tug/Simulation.hpp>
using namespace Eigen;
using namespace tug;
int main(int argc, char *argv[])
{
// **** GRID ****
int cells = 20;
Grid64 grid(cells);
MatrixXd concentrations = MatrixXd::Constant(1, cells, 0);
concentrations(0, 0) = 2000;
grid.setConcentrations(concentrations);
MatrixXd alpha = MatrixXd::Constant(1, cells, 1);
grid.setAlpha(alpha);
// **** BOUNDARY ****
Boundary bc = Boundary(grid);
bc.setBoundarySideConstant(BC_SIDE_LEFT, 0);
bc.setBoundarySideConstant(BC_SIDE_RIGHT, 0);
// **** SIMULATION ****
Simulation simulation = Simulation(grid, bc);
simulation.setTimestep(0.1);
simulation.setIterations(100);
simulation.setOutputCSV(CSV_OUTPUT_VERBOSE);
simulation.setOutputConsole(CONSOLE_OUTPUT_OFF);
// **** RUN SIMULATION ****
simulation.run();
}

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#include <Eigen/Eigen>
#include <tug/Simulation.hpp>
using namespace Eigen;
using namespace tug;
int main(int argc, char *argv[])
{
// **** GRID ****
int cells = 45;
Grid64 grid(cells);
MatrixXd concentrations = MatrixXd::Constant(1, cells, 10);
concentrations(0, 5) = 2000;
grid.setConcentrations(concentrations);
MatrixXd alpha = MatrixXd::Constant(1, cells, 1);
alpha.block(0, 0, 1, 15) = MatrixXd::Constant(1, 15, 0.5);
alpha.block(0, 30, 1, 15) = MatrixXd::Constant(1, 15, 1.5);
grid.setAlpha(alpha);
// **** BOUNDARY ****
Boundary bc = Boundary(grid);
bc.setBoundarySideClosed(BC_SIDE_LEFT);
bc.setBoundarySideClosed(BC_SIDE_RIGHT);
// **** SIMULATION ****
Simulation simulation = Simulation(grid, bc);
simulation.setTimestep(1.23);
simulation.setIterations(750);
simulation.setOutputCSV(CSV_OUTPUT_VERBOSE);
simulation.setOutputConsole(CONSOLE_OUTPUT_OFF);
// **** RUN SIMULATION ****
simulation.run();
}

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#include <Eigen/Eigen>
#include <tug/Simulation.hpp>
using namespace Eigen;
using namespace tug;
int main(int argc, char *argv[])
{
// **** GRID ****
int rows = 20;
int cols = 20;
Grid64 grid(rows, cols);
MatrixXd concentrations = MatrixXd::Constant(rows, cols, 0);
concentrations(10, 10) = 2000;
grid.setConcentrations(concentrations);
MatrixXd alphax = MatrixXd::Constant(rows, cols, 1);
MatrixXd alphay = MatrixXd::Constant(rows, cols, 1);
grid.setAlpha(alphax, alphay);
// **** BOUNDARY ****
Boundary bc = Boundary(grid);
bc.setBoundarySideClosed(BC_SIDE_LEFT);
bc.setBoundarySideClosed(BC_SIDE_RIGHT);
bc.setBoundarySideClosed(BC_SIDE_TOP);
bc.setBoundarySideClosed(BC_SIDE_BOTTOM);
// **** SIMULATION ****
Simulation simulation = Simulation(grid, bc);
simulation.setTimestep(0.1);
simulation.setIterations(500);
simulation.setOutputCSV(CSV_OUTPUT_VERBOSE);
simulation.setOutputConsole(CONSOLE_OUTPUT_OFF);
// **** RUN SIMULATION ****
simulation.run();
}

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#include <Eigen/Eigen>
#include <tug/Simulation.hpp>
using namespace Eigen;
using namespace tug;
int main(int argc, char *argv[])
{
// **** GRID ****
int rows = 450;
int cols = 670;
Grid64 grid(rows, cols);
MatrixXd concentrations = MatrixXd::Constant(rows, cols, 0);
concentrations(10, 10) = 1500;
concentrations(440, 660) = 750;
concentrations(440, 10) = 750;
concentrations(10, 660) = 750;
concentrations(220, 335) = 1500;
grid.setConcentrations(concentrations);
MatrixXd alphax = MatrixXd::Constant(rows, cols, 1);
MatrixXd alphay = MatrixXd::Constant(rows, cols, 1);
alphax.block(0, 0, 100, cols) = MatrixXd::Constant(100, cols, 0.5);
alphax.block(100, 0, 100, cols) = MatrixXd::Constant(100, cols, 0.8);
alphay.block(0, 0, rows, 200) = MatrixXd::Constant(rows, 200, 0.6);
alphay.block(0, 200, rows, 200) = MatrixXd::Constant(rows, 200, 0.9);
grid.setAlpha(alphax, alphay);
// **** BOUNDARY ****
Boundary bc = Boundary(grid);
bc.setBoundarySideClosed(BC_SIDE_LEFT);
bc.setBoundarySideClosed(BC_SIDE_RIGHT);
bc.setBoundarySideClosed(BC_SIDE_TOP);
bc.setBoundarySideClosed(BC_SIDE_BOTTOM);
// **** SIMULATION ****
Simulation simulation = Simulation(grid, bc);
simulation.setTimestep(0.2);
simulation.setIterations(100);
simulation.setOutputCSV(CSV_OUTPUT_VERBOSE);
simulation.setOutputConsole(CONSOLE_OUTPUT_OFF);
// **** RUN SIMULATION ****
simulation.run();
}

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include("../../tug/Simulation.jl")
function main()
# **** GRID ****
rows::Int = 100
cols::Int = 100
grid::Grid = Grid{Float64}(rows, cols)
concentrations = fill(0.0, rows, cols)
concentrations[11, 11] = 2000
concentrations[91, 91] = 2000
setConcentrations!(grid, concentrations)
alphaX = fill(1.0, rows, cols)
alphaY = fill(1.0, rows, cols)
setAlpha!(grid, alphaX, alphaY)
# **** BOUNDARY ****
bc::Boundary = Boundary(grid)
setBoundarySideConstant!(bc, LEFT, 1.0)
setBoundarySideConstant!(bc, RIGHT, 1.0)
setBoundarySideConstant!(bc, TOP, 0.0)
setBoundarySideConstant!(bc, BOTTOM, 2.0)
# **** SIMULATION ****
simulation::Simulation = Simulation(grid, bc)
simulation = setTimestep(simulation, 0.05)
simulation = setIterations(simulation, 1000)
simulation = setOutputConsole(simulation, CONSOLE_OUTPUT_OFF)
simulation = setOutputCSV(simulation, CSV_OUPUT_VERBOSE)
# **** RUN SIMULATION ****
run(simulation)
end
main()

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include("../../tug/Simulation.jl")
function main()
# **** GRID ****
cells::Int = 20
grid::Grid = Grid{Float64}(cells)
concentrations = fill(0.0, 1, cells)
concentrations[1] = 2000
setConcentrations!(grid, concentrations)
alpha = fill(1.0, 1, cells)
setAlpha!(grid, alpha)
# **** BOUNDARY ****
bc::Boundary = Boundary(grid)
setBoundarySideConstant!(bc, LEFT, 0.0)
setBoundarySideConstant!(bc, RIGHT, 0.0)
# **** SIMULATION ****
simulation::Simulation = Simulation(grid, bc)
simulation = setTimestep(simulation, 0.1)
simulation = setIterations(simulation, 100)
simulation = setOutputConsole(simulation, CONSOLE_OUTPUT_OFF)
simulation = setOutputCSV(simulation, CSV_OUPUT_VERBOSE)
# **** RUN SIMULATION ****
run(simulation)
end
main()

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include("../../tug/Simulation.jl")
function main()
# **** GRID ****
cells::Int = 45
grid::Grid = Grid{Float64}(cells)
concentrations = fill(10.0, 1, cells)
concentrations[6] = 2000
setConcentrations!(grid, concentrations)
alpha = fill(1.0, 1, cells)
alpha[1:15] .= 0.5
alpha[31:45] .= 1.5
setAlpha!(grid, alpha)
# **** BOUNDARY ****
bc::Boundary = Boundary(grid)
setBoundarySideClosed!(bc, LEFT)
setBoundarySideClosed!(bc, RIGHT)
# **** SIMULATION ****
simulation::Simulation = Simulation(grid, bc)
simulation = setTimestep(simulation, 1.23)
simulation = setIterations(simulation, 750)
simulation = setOutputConsole(simulation, CONSOLE_OUTPUT_OFF)
simulation = setOutputCSV(simulation, CSV_OUPUT_VERBOSE)
# **** RUN SIMULATION ****
run(simulation)
end
main()

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include("../../tug/Simulation.jl")
function main()
# **** GRID ****
rows::Int = 20
cols::Int = 20
grid::Grid = Grid{Float64}(rows, cols)
concentrations = fill(0.0, rows, cols)
concentrations[11, 11] = 2000
setConcentrations!(grid, concentrations)
alphaX = fill(1.0, rows, cols)
alphaY = fill(1.0, rows, cols)
setAlpha!(grid, alphaX, alphaY)
# **** BOUNDARY ****
bc::Boundary = Boundary(grid)
setBoundarySideClosed!(bc, LEFT)
setBoundarySideClosed!(bc, RIGHT)
setBoundarySideClosed!(bc, TOP)
setBoundarySideClosed!(bc, BOTTOM)
# **** SIMULATION ****
simulation::Simulation = Simulation(grid, bc)
simulation = setTimestep(simulation, 0.1)
simulation = setIterations(simulation, 500)
simulation = setOutputConsole(simulation, CONSOLE_OUTPUT_OFF)
simulation = setOutputCSV(simulation, CSV_OUPUT_VERBOSE)
# **** RUN SIMULATION ****
run(simulation)
end
main()

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include("../../tug/Simulation.jl")
function main()
# **** GRID ****
rows::Int = 450
cols::Int = 670
grid::Grid = Grid{Float64}(rows, cols)
concentrations = fill(0.0, rows, cols)
concentrations[11, 11] = 1500
concentrations[441, 661] = 750
concentrations[441, 11] = 750
concentrations[11, 661] = 750
concentrations[221, 336] = 1500
setConcentrations!(grid, concentrations)
alphaX = fill(1.0, rows, cols)
alphaY = fill(1.0, rows, cols)
alphaX[1:100, :] .= 0.5
alphaX[101:200, :] .= 0.8
alphaY[:, 1:200] .= 0.6
alphaY[:, 201:400] .= 0.9
setAlpha!(grid, alphaX, alphaY)
# **** BOUNDARY ****
bc::Boundary = Boundary(grid)
setBoundarySideClosed!(bc, LEFT)
setBoundarySideClosed!(bc, RIGHT)
setBoundarySideClosed!(bc, TOP)
setBoundarySideClosed!(bc, BOTTOM)
# **** SIMULATION ****
simulation::Simulation = Simulation(grid, bc)
simulation = setTimestep(simulation, 0.2)
simulation = setIterations(simulation, 100)
simulation = setOutputConsole(simulation, CONSOLE_OUTPUT_OFF)
simulation = setOutputCSV(simulation, CSV_OUPUT_VERBOSE)
# **** RUN SIMULATION ****
run(simulation)
end
main()

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julia/tests/test.py Normal file
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import os
import subprocess
import argparse
from compare_csv import compare_csv_files
import time
# ANSI color codes
RED = '\033[0;31m'
GREEN = '\033[0;32m'
NC = '\033[0m' # No Color
def remove_non_empty_dir(path):
if os.path.exists(path):
for root, dirs, files in os.walk(path, topdown=False):
for name in files:
os.remove(os.path.join(root, name))
for name in dirs:
os.rmdir(os.path.join(root, name))
os.rmdir(path)
def get_max_name_length(directory):
max_length = 0
for file in os.listdir(directory):
if file.endswith('.csv'):
name_length = len(os.path.splitext(file)[0])
if name_length > max_length:
max_length = name_length
return max_length
def format_difference(diff):
return '{:.5f}'.format(diff).rjust(8) if diff != 0 else '0'.rjust(8)
def run_benchmark(command, runs):
total_time = 0
for _ in range(runs):
start_time = time.time()
subprocess.run(command)
total_time += time.time() - start_time
return total_time / runs
def main(tolerance, runs, silent):
BENCHMARK_DIR = "./cpp_bench"
JULIA_DIR = "./julia_bench"
COMPILER = "g++"
CFLAGS = ["-O3", "-fopenmp", "-I", "/usr/local/include", "-I", "../../include/", "-I", "/usr/include/eigen3"]
BIN_DIR = "./cpp_bin_temp"
OUTPUT_DIR = "./csv_temp"
# Clean up and create directories
for dir_path in [BIN_DIR, OUTPUT_DIR]:
remove_non_empty_dir(dir_path)
os.makedirs(dir_path)
for file in os.listdir('.'):
if file.endswith('.csv'):
os.remove(file)
# Compile and run C++ benchmarks
if not silent: print("----- Running C++ Benchmarks -----")
cpp_times = {}
for benchmark in os.listdir(BENCHMARK_DIR):
if benchmark.endswith(".cpp"):
name = os.path.splitext(benchmark)[0]
if not silent: print(f"Compiling {name}...", end="", flush=True)
subprocess.run([COMPILER, *CFLAGS, "-o", f"{BIN_DIR}/{name}", f"{BENCHMARK_DIR}/{benchmark}"])
if not silent: print(" Running...", end="", flush=True)
cpp_times[name] = run_benchmark([f"./{BIN_DIR}/{name}"], runs)
if not silent: print(" Done.", flush=True)
# Move CSV files to output directory
for file in os.listdir('.'):
if file.endswith('.csv'):
os.rename(file, f"{OUTPUT_DIR}/{file}")
max_name_length = get_max_name_length(OUTPUT_DIR)
# Run Julia benchmarks and compare
if not silent: print("\n----- Running Julia Benchmarks -----")
results_dict = {}
pass_all = True
julia_times = {}
for csv_file in sorted(os.listdir(OUTPUT_DIR), key=lambda x: os.path.splitext(x)[0]):
name = os.path.splitext(csv_file)[0]
padded_name = name.ljust(max_name_length)
if os.path.exists(f"{JULIA_DIR}/{name}.jl"):
if not silent: print(f"Running {name}...", end="", flush=True)
julia_times[name] = run_benchmark(["julia", f"{JULIA_DIR}/{name}.jl"], runs)
if os.path.exists(f"./{name}.csv"):
are_equal, _, _, _, max_diff = compare_csv_files(f"./{name}.csv", f"{OUTPUT_DIR}/{csv_file}", tolerance)
formatted_diff = format_difference(max_diff)
cpp_time = '{:.4f}s'.format(cpp_times[name]).rjust(8)
julia_time = '{:.4f}s'.format(julia_times[name]).rjust(8)
result = f"{padded_name}: {'Success' if are_equal else 'Failure'} (Max Diff: {formatted_diff}, C++: {cpp_time}, Julia: {julia_time})"
result_color = GREEN if are_equal else RED
results_dict[name] = f"{result_color}{result}{NC}"
if not are_equal:
pass_all = False
else:
results_dict[name] = f"{RED}{padded_name}: No Julia output{NC}"
pass_all = False
if not silent: print(" Done.", flush=True)
# Clean up
remove_non_empty_dir(BIN_DIR)
remove_non_empty_dir(OUTPUT_DIR)
for file in os.listdir('.'):
if file.endswith('.csv'):
os.remove(file)
# Print results
if not silent: print("\n----- Benchmark Results -----")
print(f"Parameters: Tolerance = {tolerance}, Runs = {runs}")
for name in sorted(results_dict):
print(results_dict[name])
if pass_all:
print(f"\n{GREEN}All benchmarks and comparisons passed.{NC}")
else:
print(f"\n{RED}Some benchmarks or comparisons failed.{NC}")
exit(1)
if __name__ == "__main__":
parser = argparse.ArgumentParser(description='Benchmark and Compare Script')
parser.add_argument('--tolerance', type=float, default=0.005, help='Tolerance for CSV comparison')
parser.add_argument('--runs', type=int, default=1, help='Number of benchmark runs')
parser.add_argument('--silent', action='store_true', help='Run in silent mode without printing details')
args = parser.parse_args()
main(args.tolerance, args.runs, args.silent)

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julia/tug/Boundary.jl Normal file
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# Boundary.jl
# Julia implementation of Boundary types, translating from C++'s Boundary.hpp
@enum TYPE CLOSED CONSTANT
@enum SIDE LEFT = 1 RIGHT = 2 TOP = 3 BOTTOM = 4
# BoundaryElement class
struct BoundaryElement{T}
type::TYPE
value::T
# Generic constructor for closed case
BoundaryElement{T}() where {T} = new{T}(CLOSED, convert(T, -1))
# Constructor for constant case
BoundaryElement{T}(value::T) where {T} = new{T}(CONSTANT, value)
end
# Helper functions for setting type and value
function setType!(be::BoundaryElement{T}, type::Symbol) where {T}
be.type = type
end
function getType(be::BoundaryElement{T})::TYPE where {T}
be.type
end
function getValue(be::BoundaryElement{T})::T where {T}
be.value
end
function setValue!(be::BoundaryElement{T}, value::T) where {T}
if value < 0
throw(ArgumentError("No negative concentration allowed."))
end
if be.type == BC_TYPE_CLOSED
throw(ArgumentError("No constant boundary concentrations can be set for closed boundaries. Please change type first."))
end
be.value = value
end
# Boundary class
struct Boundary{T}
dim::UInt8
cols::UInt32
rows::UInt32
boundaries::Vector{Vector{BoundaryElement{T}}}
# Constructor
function Boundary(grid::Grid{T}) where {T}
dim = grid.dim
cols = grid.cols
rows = grid.rows
boundaries = Vector{Vector{BoundaryElement{T}}}(undef, 4)
if dim == 1
boundaries[Int(LEFT)] = [BoundaryElement{T}()]
boundaries[Int(RIGHT)] = [BoundaryElement{T}()]
elseif dim == 2
boundaries[Int(LEFT)] = [BoundaryElement{T}() for _ in 1:rows]
boundaries[Int(RIGHT)] = [BoundaryElement{T}() for _ in 1:rows]
boundaries[Int(TOP)] = [BoundaryElement{T}() for _ in 1:cols]
boundaries[Int(BOTTOM)] = [BoundaryElement{T}() for _ in 1:cols]
else
throw(ArgumentError("Only 1- and 2-dimensional grids are defined!"))
end
new{T}(dim, cols, rows, boundaries)
end
end
function setBoundarySideClosed!(boundary::Boundary{T}, side::SIDE) where {T}
if boundary.dim == 1 && (side == BOTTOM || side == TOP)
throw(ArgumentError("For the one-dimensional case, only the left and right borders exist."))
end
is_vertical = side in (LEFT, RIGHT)
n = is_vertical ? boundary.rows : boundary.cols
boundary.boundaries[Int(side)] = [BoundaryElement{T}() for _ in 1:n]
end
function setBoundarySideConstant!(boundary::Boundary{T}, side::SIDE, value::T) where {T}
if boundary.dim == 1 && (side == BOTTOM || side == TOP)
throw(ArgumentError("For the one-dimensional case, only the left and right borders exist."))
end
is_vertical = side in (LEFT, RIGHT)
n = is_vertical ? boundary.rows : boundary.cols
boundary.boundaries[Int(side)] = [BoundaryElement{T}(value) for _ in 1:n]
end
function getBoundarySide(boundary::Boundary{T}, side::SIDE)::Vector{BoundaryElement{T}} where {T}
if boundary.dim == 1 && (side == BOTTOM || side == TOP)
throw(ArgumentError("For the one-dimensional case, only the left and right borders exist."))
end
boundary.boundaries[Int(side)]
end

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julia/tug/Core/BTCS.jl Normal file
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# BTCS.jl
# Implementation of heterogenous BTCS (backward time-centered space)
# solution of diffusion equation in 1D and 2D space using the
# alternating-direction implicit (ADI) method.
using LinearAlgebra
using SparseArrays
include("../Boundary.jl")
include("../Grid.jl")
# Helper functions and types
function calcAlphaIntercell(alpha1::T, alpha2::T, useHarmonic::Bool=true) where {T}
if useHarmonic
return 2 / ((1 / alpha1) + (1 / alpha2))
else
return 0.5 * (alpha1 + alpha2)
end
end
# calculates coefficient for boundary in constant case
function calcBoundaryCoeffConstant(alpha_center::T, alpha_side::T, sx::T) where {T}
centerCoeff = 1 + sx * (calcAlphaIntercell(alpha_center, alpha_side) + 2 * alpha_center)
sideCoeff = -sx * calcAlphaIntercell(alpha_center, alpha_side)
return (centerCoeff, sideCoeff)
end
# calculates coefficient for boundary in closed case
function calcBoundaryCoeffClosed(alpha_center::T, alpha_side::T, sx::T) where {T}
centerCoeff = 1 + sx * calcAlphaIntercell(alpha_center, alpha_side)
sideCoeff = -sx * calcAlphaIntercell(alpha_center, alpha_side)
return (centerCoeff, sideCoeff)
end
# creates coefficient matrix for next time step from alphas in x-direction
function createCoeffMatrix(alpha::Matrix{T}, bcLeft::Vector{BoundaryElement{T}}, bcRight::Vector{BoundaryElement{T}}, numCols::Int, rowIndex::Int, sx::T) where {T}
numCols = max(numCols, 2)
cm = spzeros(T, numCols, numCols)
# left column
if getType(bcLeft[rowIndex]) == CONSTANT
centerCoeffTop, rightCoeffTop = calcBoundaryCoeffConstant(alpha[rowIndex, 1], alpha[rowIndex, 2], sx)
cm[1, 1] = centerCoeffTop
cm[1, 2] = rightCoeffTop
elseif getType(bcLeft[rowIndex]) == CLOSED
centerCoeffTop, rightCoeffTop = calcBoundaryCoeffClosed(alpha[rowIndex, 1], alpha[rowIndex, 2], sx)
cm[1, 1] = centerCoeffTop
cm[1, 2] = rightCoeffTop
else
error("Undefined Boundary Condition Type somewhere on Left or Top!")
end
# inner columns
for i in 2:(numCols-1)
cm[i, i-1] = -sx * calcAlphaIntercell(alpha[rowIndex, i-1], alpha[rowIndex, i])
cm[i, i] = 1 + sx * (calcAlphaIntercell(alpha[rowIndex, i], alpha[rowIndex, i+1]) + calcAlphaIntercell(alpha[rowIndex, i-1], alpha[rowIndex, i]))
cm[i, i+1] = -sx * calcAlphaIntercell(alpha[rowIndex, i], alpha[rowIndex, i+1])
end
# right column
if getType(bcRight[rowIndex]) == CONSTANT
centerCoeffBottom, leftCoeffBottom = calcBoundaryCoeffConstant(alpha[rowIndex, numCols], alpha[rowIndex, numCols-1], sx)
cm[numCols, numCols-1] = leftCoeffBottom
cm[numCols, numCols] = centerCoeffBottom
elseif getType(bcRight[rowIndex]) == CLOSED
centerCoeffBottom, leftCoeffBottom = calcBoundaryCoeffClosed(alpha[rowIndex, numCols], alpha[rowIndex, numCols-1], sx)
cm[numCols, numCols-1] = leftCoeffBottom
cm[numCols, numCols] = centerCoeffBottom
else
error("Undefined Boundary Condition Type somewhere on Right or Bottom!")
end
return cm
end
function calcExplicitConcentrationsBoundaryClosed(conc_center::T, alpha_center::T, alpha_neighbor::T, sy::T) where {T}
sy * calcAlphaIntercell(alpha_center, alpha_neighbor) * conc_center +
(1 - sy * calcAlphaIntercell(alpha_center, alpha_neighbor)) * conc_center
end
function calcExplicitConcentrationsBoundaryConstant(conc_center::T, conc_bc::T, alpha_center::T, alpha_neighbor::T, sy::T) where {T}
sy * calcAlphaIntercell(alpha_center, alpha_neighbor) * conc_center +
(1 - sy * (calcAlphaIntercell(alpha_center, alpha_center) + 2 * alpha_center)) * conc_center +
sy * alpha_center * conc_bc
end
function createSolutionVector(concentrations::Matrix{T}, alphaX::Matrix{T}, alphaY::Matrix{T}, bcLeft::Vector{BoundaryElement{T}}, bcRight::Vector{BoundaryElement{T}}, bcTop::Vector{BoundaryElement{T}}, bcBottom::Vector{BoundaryElement{T}}, length::Int, rowIndex::Int, sx::T, sy::T) where {T}
numRows = size(concentrations, 1)
sv = Vector{T}(undef, length)
# Inner rows
if rowIndex > 1 && rowIndex < numRows
for i = 1:length
sv[i] = sy * calcAlphaIntercell(alphaY[rowIndex, i], alphaY[rowIndex+1, i]) * concentrations[rowIndex+1, i] +
(1 - sy * (calcAlphaIntercell(alphaY[rowIndex, i], alphaY[rowIndex+1, i]) + calcAlphaIntercell(alphaY[rowIndex-1, i], alphaY[rowIndex, i]))) * concentrations[rowIndex, i] +
sy * calcAlphaIntercell(alphaY[rowIndex-1, i], alphaY[rowIndex, i]) * concentrations[rowIndex-1, i]
end
end
# First row
if rowIndex == 1
for i = 1:length
if getType(bcTop[i]) == CONSTANT
sv[i] = calcExplicitConcentrationsBoundaryConstant(concentrations[rowIndex, i], getValue(bcTop[i]), alphaY[rowIndex, i], alphaY[rowIndex+1, i], sy)
elseif getType(bcTop[i]) == CLOSED
sv[i] = calcExplicitConcentrationsBoundaryClosed(concentrations[rowIndex, i], alphaY[rowIndex, i], alphaY[rowIndex+1, i], sy)
else
error("Undefined Boundary Condition Type somewhere on Left or Top!")
end
end
end
# Last row
if rowIndex == numRows
for i = 1:length
if getType(bcBottom[i]) == CONSTANT
sv[i] = calcExplicitConcentrationsBoundaryConstant(concentrations[rowIndex, i], getValue(bcBottom[i]), alphaY[rowIndex, i], alphaY[rowIndex-1, i], sy)
elseif getType(bcBottom[i]) == CLOSED
sv[i] = calcExplicitConcentrationsBoundaryClosed(concentrations[rowIndex, i], alphaY[rowIndex, i], alphaY[rowIndex-1, i], sy)
else
error("Undefined Boundary Condition Type somewhere on Right or Bottom!")
end
end
end
# First column - additional fixed concentration change from perpendicular dimension in constant BC case
if getType(bcLeft[rowIndex]) == CONSTANT
sv[1] += 2 * sx * alphaX[rowIndex, 1] * getValue(bcLeft[rowIndex])
end
# Last column - additional fixed concentration change from perpendicular dimension in constant BC case
if getType(bcRight[rowIndex]) == CONSTANT
sv[end] += 2 * sx * alphaX[rowIndex, end] * getValue(bcRight[rowIndex])
end
return sv
end
# solver for linear equation system; A corresponds to coefficient matrix, b to the solution vector
function LinearAlgebraAlgorithm(A::SparseMatrixCSC{T}, b::Vector{T}) where {T}
return A \ b
end
# BTCS solution for 1D grid
function BTCS_1D(grid::Grid{T}, bc::Boundary{T}, timestep::T, solverFunc::Function) where {T}
length = grid.cols
sx = timestep / (grid.deltaCol * grid.deltaCol)
b = Vector{T}(undef, length)
alpha = grid.alphaX[]
bcLeft = getBoundarySide(bc, LEFT)
bcRight = getBoundarySide(bc, RIGHT)
concentrations = grid.concentrations[]
rowIndex = 1
A = createCoeffMatrix(alpha, bcLeft, bcRight, length, rowIndex, sx)
for i in 1:length
b[i] = concentrations[1, i]
end
if getType(getBoundarySide(bc, LEFT)[1]) == CONSTANT
b[1] += 2 * sx * alpha[1, 1] * bcLeft[1].value
end
if getType(getBoundarySide(bc, RIGHT)[1]) == CONSTANT
b[length] += 2 * sx * alpha[1, length] * bcRight[1].value
end
concentrations_t1 = solverFunc(A, b)
for j in 1:length
concentrations[1, j] = concentrations_t1[j]
end
setConcentrations!(grid, concentrations)
end
# BTCS solution for 2D grid
function BTCS_2D(grid::Grid{T}, bc::Boundary{T}, timestep::T, solverFunc::Function, numThreads::Int) where {T}
rowMax = grid.rows
colMax = grid.cols
sx = timestep / (2 * grid.deltaCol * grid.deltaCol)
sy = timestep / (2 * grid.deltaRow * grid.deltaRow)
A = spzeros(T, rowMax, rowMax)
concentrations_t1 = zeros(T, rowMax, colMax)
row_t1 = Vector{T}(undef, colMax)
alphaX = grid.alphaX[]
alphaY = grid.alphaY[]
bcLeft = getBoundarySide(bc, LEFT)
bcRight = getBoundarySide(bc, RIGHT)
bcTop = getBoundarySide(bc, TOP)
bcBottom = getBoundarySide(bc, BOTTOM)
concentrations = grid.concentrations[]
for i = 1:rowMax
A = createCoeffMatrix(alphaX, bcLeft, bcRight, colMax, i, sx)
b = createSolutionVector(concentrations, alphaX, alphaY, bcLeft, bcRight, bcTop, bcBottom, colMax, i, sx, sy)
row_t1 = solverFunc(A, b)
concentrations_t1[i, :] = row_t1
end
concentrations_t1 = copy(transpose(concentrations_t1))
concentrations = copy(transpose(concentrations))
alphaX = copy(transpose(alphaX))
alphaY = copy(transpose(alphaY))
for i = 1:colMax
# Swap alphas, boundary conditions and sx/sy for column-wise calculation
A = createCoeffMatrix(alphaY, bcTop, bcBottom, rowMax, i, sy)
b = createSolutionVector(concentrations_t1, alphaY, alphaX, bcTop, bcBottom, bcLeft, bcRight, rowMax, i, sy, sx)
row_t1 = solverFunc(A, b)
concentrations[i, :] = row_t1
end
concentrations = copy(transpose(concentrations))
setConcentrations!(grid, concentrations)
end
# Entry point for EigenLU solver; differentiate between 1D and 2D grid
function BTCS_LU(grid::Grid{T}, bc::Boundary{T}, timestep::T, numThreads::Int=1) where {T}
if grid.dim == 1
BTCS_1D(grid, bc, timestep, LinearAlgebraAlgorithm)
elseif grid.dim == 2
BTCS_2D(grid, bc, timestep, LinearAlgebraAlgorithm, numThreads)
else
error("Error: Only 1- and 2-dimensional grids are defined!")
end
end

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using LinearAlgebra
struct Grid{T}
cols::Int
rows::Int
dim::Int
domainCol::T
domainRow::T
deltaCol::T
deltaRow::T
concentrations::Ref{Matrix{T}}
alphaX::Ref{Matrix{T}}
alphaY::Ref{Matrix{T}}
# Constructor for 1D-Grid
function Grid{T}(length::Int) where {T}
if length <= 3
throw(ArgumentError("Given grid length too small. Must be greater than 3."))
end
new{T}(length, 1, 1, T(length), 0, T(1), 0, Ref(fill(T(0), 1, length)), Ref(fill(T(0), 1, length)), Ref(fill(T(0), 1, length)))
end
# Constructor for 2D-Grid
function Grid{T}(row::Int, col::Int) where {T}
if row <= 3 || col <= 3
throw(ArgumentError("Given grid dimensions too small. Must each be greater than 3."))
end
new{T}(col, row, 2, T(col), T(row), T(1), T(1), Ref(fill(T(0), row, col)), Ref(fill(T(0), row, col)), Ref(fill(T(0), row, col)))
end
end
function setConcentrations!(grid::Grid{T}, new_concentrations::Matrix{T}) where {T}
grid.concentrations[] = new_concentrations
end
function setAlpha!(grid::Grid{T}, alpha::Matrix{T}) where {T}
if grid.dim != 1
error("Grid is not one dimensional, you should probably use the 2D setter function!")
end
if size(alpha, 1) != 1 || size(alpha, 2) != grid.cols
error("Given matrix of alpha coefficients mismatch with Grid dimensions!")
end
grid.alphaX[] = alpha
end
function setAlpha!(grid::Grid{T}, alphaX::Matrix{T}, alphaY::Matrix{T}) where {T}
if grid.dim != 2
error("Grid is not two dimensional, you should probably use the 1D setter function!")
end
if size(alphaX) != (grid.rows, grid.cols) || size(alphaY) != (grid.rows, grid.cols)
error("Given matrices of alpha coefficients mismatch with Grid dimensions!")
end
grid.alphaX[] = alphaX
grid.alphaY[] = alphaY
end

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using Printf
include("Grid.jl")
include("Boundary.jl")
include("Core/BTCS.jl")
@enum APPROACH BTCS
@enum SOLVER EIGEN_LU_SOLVER
@enum CONSOLE_OUTPUT CONSOLE_OUTPUT_OFF CONSOLE_OUTPUT_ON CONSOLE_OUTPUT_VERBOSE
@enum CSV_OUPUT CSV_OUPUT_OFF CSV_OUPUT_ON CSV_OUPUT_VERBOSE CSV_OUPUT_XTREME
# Create the Simulation class
struct Simulation{T,approach,solver}
grid::Grid{T}
bc::Boundary{T}
approach::APPROACH
solver::SOLVER
innerIterations::Int
iterations::Int
numThreads::Int
timestep::T
consoleOutput::CONSOLE_OUTPUT
csvOutput::CSV_OUPUT
function Simulation(grid::Grid{T}, bc::Boundary{T}, approach::APPROACH=BTCS,
solver::SOLVER=EIGEN_LU_SOLVER, innerIterations::Int=1, iterations::Int=1,
numThreads::Int=1, timestep::T=0.1,
consoleOutput::CONSOLE_OUTPUT=CONSOLE_OUTPUT_OFF, csvOutput::CSV_OUPUT=CSV_OUPUT_OFF) where {T}
new{T,APPROACH,SOLVER}(grid, bc, approach, solver, innerIterations, iterations, numThreads, timestep, consoleOutput, csvOutput)
end
end
function createCSVfile(simulation::Simulation{T,approach,solver}) where {T,approach,solver}
appendIdent = 0
approachString = (simulation.approach == BTCS) ? "BTCS" : "UNKNOWN" # Add other approaches as needed
row = simulation.grid.rows
col = simulation.grid.cols
numIterations = simulation.iterations
filename = string(approachString, "_", row, "_", col, "_", numIterations, ".csv")
while isfile(filename)
appendIdent += 1
filename = string(approachString, "_", row, "_", col, "_", numIterations, "-", appendIdent, ".csv")
end
open(filename, "w") do file
# Write boundary conditions if required
if simulation.csvOutput == CSV_OUPUT_XTREME
writeBoundarySideValues(file, simulation.bc, LEFT)
writeBoundarySideValues(file, simulation.bc, RIGHT)
if simulation.grid.dim == 2
writeBoundarySideValues(file, simulation.bc, TOP)
writeBoundarySideValues(file, simulation.bc, BOTTOM)
end
write(file, "\n\n")
end
end
return filename
end
function writeBoundarySideValues(file, bc::Boundary{T}, side) where {T}
values::Vector{BoundaryElement} = getBoundarySide(bc, side)
formatted_values = join(map(getValue, values), " ")
write(file, formatted_values, "\n")
end
function printConcentrationsCSV(simulation::Simulation{T,approach,solver}, filename::String) where {T,approach,solver}
concentrations = simulation.grid.concentrations[]
open(filename, "a") do file # Open file in append mode
for row in eachrow(concentrations)
println(file, join(row, " "))
end
println(file) # Add extra newlines for separation
println(file)
end
end
function printConcentrations(simulation::Simulation{T,approach,solver}) where {T,approach,solver}
println(simulation.grid.concentrations[])
end
function run(simulation::Simulation{T,approach,solver}) where {T,approach,solver}
filename::String = ""
if simulation.csvOutput > CSV_OUPUT_OFF
filename = createCSVfile(simulation)
end
if simulation.approach == BTCS
if simulation.solver == EIGEN_LU_SOLVER
for i in 1:(simulation.iterations*simulation.innerIterations)
if simulation.consoleOutput == CONSOLE_OUTPUT_VERBOSE
printConcentrations(simulation)
end
if simulation.csvOutput >= CSV_OUPUT_VERBOSE
printConcentrationsCSV(simulation, filename)
end
BTCS_LU(simulation.grid, simulation.bc, simulation.timestep, simulation.numThreads)
end
else
error("Undefined solver!")
end
else
error("Undefined approach!")
end
if simulation.consoleOutput == CONSOLE_OUTPUT_ON || simulation.consoleOutput == CONSOLE_OUTPUT_VERBOSE
printConcentrations(simulation)
end
if simulation.csvOutput == CSV_OUPUT_ON || simulation.csvOutput == CSV_OUPUT_VERBOSE || simulation.csvOutput == CSV_OUPUT_XTREME
printConcentrationsCSV(simulation, filename)
end
end
function setTimestep(simulation::Simulation{T,approach,solver}, timestep::T) where {T,approach,solver}
return Simulation(simulation.grid, simulation.bc, simulation.approach, simulation.solver, simulation.innerIterations, simulation.iterations, simulation.numThreads, timestep, simulation.consoleOutput, simulation.csvOutput)
end
function setIterations(simulation::Simulation{T,approach,solver}, iterations::Int) where {T,approach,solver}
return Simulation(simulation.grid, simulation.bc, simulation.approach, simulation.solver, simulation.innerIterations, iterations, simulation.numThreads, simulation.timestep, simulation.consoleOutput, simulation.csvOutput)
end
function setOutputConsole(simulation::Simulation{T,approach,solver}, consoleOutput::CONSOLE_OUTPUT) where {T,approach,solver}
return Simulation(simulation.grid, simulation.bc, simulation.approach, simulation.solver, simulation.innerIterations, simulation.iterations, simulation.numThreads, simulation.timestep, consoleOutput, simulation.csvOutput)
end
function setOutputCSV(simulation::Simulation{T,approach,solver}, csvOutput::CSV_OUPUT) where {T,approach,solver}
return Simulation(simulation.grid, simulation.bc, simulation.approach, simulation.solver, simulation.innerIterations, simulation.iterations, simulation.numThreads, simulation.timestep, simulation.consoleOutput, csvOutput)
end