Packaged code for PyPI by [jafarkmi]

README.md

@@ -8,12 +8,30 @@ The code used in this exercise is based on [Chapter 7 of the book "Learning Scie
 
 ## Project description
 
+This code solves the diffusion equation in 2D over a square domain which is at a certain temperature and a circular disc at the center which is at a higher temperature. This code solves the diffusion equation using the Finite Difference Method. The thermal diffusivity and initial conditions of the system can be changed by the user. The code produces four plots at various timepoints of the simulation. The diffusion process can be clearly observed in these plots.
+
 ## Installing the package
 
 ### Using pip3 to install from PyPI
 
+`` pip install -i https://test.pypi.org/simple/ jafarkmi-diffusion2d==0.0.7``
+
 ### Required dependencies
 
+matplotlib and numpy
+
 ## Running this package
 
+```python
+from jafarkmi_diffusion2d import solve
+# intervals in x-, y- directions, mm
+dx = dy = 0.1
+# Thermal diffusivity of steel, mm^2/s
+D = 4.
+
+diffusion2d.solve(dx,dy,D)
+```
+
 ## Citing
+
+[pypi_exercise.md](https://github.com/Simulation-Software-Engineering/Lecture-Material/blob/main/03_building_and_packaging/pypi_exercise.md)

pyproject.toml

@@ -0,0 +1,16 @@
+[build-system]
+requires = ["setuptools", "wheel"]
+
+[project]
+name = "jafarkmi_diffusion2d"
+description = "Solving the diffusion equation in 2D over a square domain"
+readme = "README.md"
+keywords = ["Diffusion Equation Solver", "Diffusion Equation Solver"]
+classifiers = [
+    "Programming Language :: Python :: 3"
+]
+dependencies = [
+    "matplotlib",
+    "numpy"
+]
+version = "0.0.7"

src/jafarkmi_diffusion2d.egg-info/PKG-INFO

@@ -0,0 +1,48 @@
+Metadata-Version: 2.1
+Name: jafarkmi_diffusion2d
+Version: 0.0.7
+Summary: Solving the diffusion equation in 2D over a square domain
+Keywords: Diffusion Equation Solver,Diffusion Equation Solver
+Classifier: Programming Language :: Python :: 3
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: matplotlib
+Requires-Dist: numpy
+
+# diffusion2D
+
+## Instructions for students
+
+Please follow the instructions in [pypi_exercise.md](https://github.com/Simulation-Software-Engineering/Lecture-Material/blob/main/03_building_and_packaging/pypi_exercise.md).
+
+The code used in this exercise is based on [Chapter 7 of the book "Learning Scientific Programming with Python"](https://scipython.com/book/chapter-7-matplotlib/examples/the-two-dimensional-diffusion-equation/).
+
+## Project description
+
+This code solves the diffusion equation in 2D over a square domain which is at a certain temperature and a circular disc at the center which is at a higher temperature. This code solves the diffusion equation using the Finite Difference Method. The thermal diffusivity and initial conditions of the system can be changed by the user. The code produces four plots at various timepoints of the simulation. The diffusion process can be clearly observed in these plots.
+
+## Installing the package
+
+### Using pip3 to install from PyPI
+
+`` pip3 install jafarkmi_diffusion2d``
+
+### Required dependencies
+
+matplotlib and numpy
+
+## Running this package
+
+```python
+from jafarkmi_diffusion2d import solve
+# intervals in x-, y- directions, mm
+dx = dy = 0.1
+# Thermal diffusivity of steel, mm^2/s
+D = 4.
+
+solve(dx,dy,D)
+```
+
+## Citing
+
+[pypi_exercise.md](https://github.com/Simulation-Software-Engineering/Lecture-Material/blob/main/03_building_and_packaging/pypi_exercise.md)

src/jafarkmi_diffusion2d.egg-info/SOURCES.txt

@@ -0,0 +1,11 @@
+LICENSE
+README.md
+pyproject.toml
+src/jafarkmi_diffusion2d/__init__.py
+src/jafarkmi_diffusion2d/diffusion2d.py
+src/jafarkmi_diffusion2d/output.py
+src/jafarkmi_diffusion2d.egg-info/PKG-INFO
+src/jafarkmi_diffusion2d.egg-info/SOURCES.txt
+src/jafarkmi_diffusion2d.egg-info/dependency_links.txt
+src/jafarkmi_diffusion2d.egg-info/requires.txt
+src/jafarkmi_diffusion2d.egg-info/top_level.txt

src/jafarkmi_diffusion2d.egg-info/dependency_links.txt

@@ -0,0 +1 @@
+

src/jafarkmi_diffusion2d.egg-info/requires.txt

@@ -0,0 +1,2 @@
+matplotlib
+numpy

src/jafarkmi_diffusion2d.egg-info/top_level.txt

@@ -0,0 +1 @@
+jafarkmi_diffusion2d

src/jafarkmi_diffusion2d/diffusion2d.py

@@ -0,0 +1,75 @@
+"""
+Solving the two-dimensional diffusion equation
+
+Example acquired from https://scipython.com/book/chapter-7-matplotlib/examples/the-two-dimensional-diffusion-equation/
+"""
+
+import numpy as np
+import matplotlib.pyplot as plt
+from .output import create_plot, output_plots
+
+def solve(dx=0.1,dy=0.1,D=4.):
+    # plate size, mm
+    w = h = 10.
+    # intervals in x-, y- directions, mm
+    dx = dy = 0.1
+    # Thermal diffusivity of steel, mm^2/s
+    D = 4.
+
+    # Initial cold temperature of square domain
+    T_cold = 300
+
+    # Initial hot temperature of circular disc at the center
+    T_hot = 700
+
+    # Number of discrete mesh points in X and Y directions
+    nx, ny = int(w / dx), int(h / dy)
+
+    # Computing a stable time step
+    dx2, dy2 = dx * dx, dy * dy
+    dt = dx2 * dy2 / (2 * D * (dx2 + dy2))
+
+    print("dt = {}".format(dt))
+
+    u0 = T_cold * np.ones((nx, ny))
+    u = u0.copy()
+
+    # Initial conditions - circle of radius r centred at (cx,cy) (mm)
+    r = min(h, w) / 4.0
+    cx = w / 2.0
+    cy = h / 2.0
+    r2 = r ** 2
+    for i in range(nx):
+        for j in range(ny):
+            p2 = (i * dx - cx) ** 2 + (j * dy - cy) ** 2
+            if p2 < r2:
+                u0[i, j] = T_hot
+
+
+    def do_timestep(u_nm1, u, D, dt, dx2, dy2):
+        # Propagate with forward-difference in time, central-difference in space
+        u[1:-1, 1:-1] = u_nm1[1:-1, 1:-1] + D * dt * (
+                (u_nm1[2:, 1:-1] - 2 * u_nm1[1:-1, 1:-1] + u_nm1[:-2, 1:-1]) / dx2
+                + (u_nm1[1:-1, 2:] - 2 * u_nm1[1:-1, 1:-1] + u_nm1[1:-1, :-2]) / dy2)
+
+        u_nm1 = u.copy()
+        return u_nm1, u
+
+
+    # Number of timesteps
+    nsteps = 101
+    # Output 4 figures at these timesteps
+    n_output = [0, 10, 50, 100]
+    fig_counter = 0
+    fig = plt.figure()
+
+    # Time loop
+    for n in range(nsteps):
+        u0, u = do_timestep(u0, u, D, dt, dx2, dy2)
+
+        # Create figure
+        if n in n_output:
+            fig_counter += 1
+            fig, im = create_plot(u,n,dt,fig,T_cold,T_hot,fig_counter)
+
+    output_plots(fig, im)

src/jafarkmi_diffusion2d/output.py

@@ -0,0 +1,15 @@
+import matplotlib.pyplot as plt
+
+def create_plot(u,n,dt,fig,T_cold,T_hot,fig_counter):
+    ax = fig.add_subplot(220 + fig_counter)
+    im = ax.imshow(u.copy(), cmap=plt.get_cmap('hot'), vmin=T_cold, vmax=T_hot)  # image for color bar axes
+    ax.set_axis_off()
+    ax.set_title('{:.1f} ms'.format(n * dt * 1000))
+    return fig, im
+
+def output_plots(fig, im):
+    fig.subplots_adjust(right=0.85)
+    cbar_ax = fig.add_axes([0.9, 0.15, 0.03, 0.7])
+    cbar_ax.set_xlabel('$T$ / K', labelpad=20)
+    fig.colorbar(im, cax=cbar_ax)
+    plt.show()