From 8cda759e3c2dcb798bd90a6d99f48e3e9ddcd01c Mon Sep 17 00:00:00 2001
From: Kilian Krampf <kilian@krampf.de>
Date: Wed, 15 Jan 2025 16:35:22 +0100
Subject: [PATCH 1/6] Step 2: Add type assertions

---
 diffusion2d.py | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/diffusion2d.py b/diffusion2d.py
index 51a07f2d..8d1c2b99 100644
--- a/diffusion2d.py
+++ b/diffusion2d.py
@@ -38,6 +38,11 @@ def __init__(self):
         self.dt = None
 
     def initialize_domain(self, w=10., h=10., dx=0.1, dy=0.1):
+        # You could argue individual assertions are better, since it allows to understand which values have the wrong type.
+        # However, for this exercise I keep it like this for initialize_domain and add individual assertions in initialize_physical_parameters
+        # In some cases individual assertions might not even allow for better understanding, if the assertion is deep in a library and the user might
+        # not understand how the values end up there. It probably is a case-by-case decision.
+        assert all(map(lambda v: type(v) == float, [w, h, dx, dy])), "All inputs must be floats"
         self.w = w
         self.h = h
         self.dx = dx
@@ -45,7 +50,10 @@ def initialize_domain(self, w=10., h=10., dx=0.1, dy=0.1):
         self.nx = int(w / dx)
         self.ny = int(h / dy)
 
-    def initialize_physical_parameters(self, d=4., T_cold=300, T_hot=700):
+    def initialize_physical_parameters(self, d=4., T_cold=300., T_hot=700.):
+        assert type(d) == float, "d must be a float"
+        assert type(T_cold) == float, "T_cold must be a float"
+        assert type(T_hot) == float, "T_cold must be a float"
         self.D = d
         self.T_cold = T_cold
         self.T_hot = T_hot

From a82e2eec569947c32185cbc91bf84536c19392f5 Mon Sep 17 00:00:00 2001
From: Kilian Krampf <kilian@krampf.de>
Date: Wed, 15 Jan 2025 16:37:11 +0100
Subject: [PATCH 2/6] Step 3: pytest Unit-Tests

---
 README.md                                | 240 +++++++++++++++++++++++
 tests/unit/test_diffusion2d_functions.py |  86 ++++++++
 2 files changed, 326 insertions(+)

diff --git a/README.md b/README.md
index da66993c..864e069f 100644
--- a/README.md
+++ b/README.md
@@ -5,6 +5,246 @@ Please follow the instructions in [python_testing_exercise.md](https://github.co
 ## Test logs (for submission)
 
 ### pytest log
+(After swapping `w` for `h` in the calculation of `nx`)
+```
+============================= test session starts ==============================
+collecting ... collected 6 items
+
+integration/test_diffusion2d.py::test_initialize_physical_parameters 
+integration/test_diffusion2d.py::test_set_initial_condition 
+unit/test_diffusion2d_functions.py::test_initialize_domain PASSED [ 16%]PASSED       [ 33%]
+unit/test_diffusion2d_functions.py::test_initialize_domain_testcase_2 
+unit/test_diffusion2d_functions.py::test_initialize_physical_parameters 
+unit/test_diffusion2d_functions.py::test_set_initial_condition 
+
+========================= 2 failed, 4 passed in 0.22s ==========================
+FAILED        [ 50%]
+unit/test_diffusion2d_functions.py:9 (test_initialize_domain)
+5 != 10
+
+Expected :10
+Actual   :5
+<Click to see difference>
+
+def test_initialize_domain():
+        """
+        Check function SolveDiffusion2D.initialize_domain
+        """
+        solver = SolveDiffusion2D()
+        # Arrange test values
+        w = 20.
+        h = 10.
+        dx = 2.
+        dy = 0.2
+    
+        # Act (= Perform test action)
+        solver.initialize_domain(w, h, dx, dy)
+    
+        # Assert
+        # "cheap" assertions
+        assert solver.w == w
+        assert solver.h == h
+        assert solver.dx == dx
+        assert solver.dy == dy
+        # Calculated values
+>       assert solver.nx == 10
+E       assert 5 == 10
+E        +  where 5 = <diffusion2d.SolveDiffusion2D object at 0x7fed47f79490>.nx
+
+unit/test_diffusion2d_functions.py:31: AssertionError
+FAILED [ 66%]
+unit/test_diffusion2d_functions.py:34 (test_initialize_domain_testcase_2)
+6 != 5
+
+Expected :5
+Actual   :6
+<Click to see difference>
+
+def test_initialize_domain_testcase_2():
+        """
+        Second testcase for function SolveDiffusion2D.initialize_domain
+        """
+        solver = SolveDiffusion2D()
+        # Arrange test values
+        # "unschöne" values
+        w = 15.2
+        h = 17.1
+        dx = 2.7
+        dy = 0.29
+    
+        # Act (= Perform test action)
+        solver.initialize_domain(w, h, dx, dy)
+    
+        # Assert
+        # "cheap" assertions
+        assert solver.w == w
+        assert solver.h == h
+        assert solver.dx == dx
+        assert solver.dy == dy
+        # Calculated values
+>       assert solver.nx == 5
+E       assert 6 == 5
+E        +  where 6 = <diffusion2d.SolveDiffusion2D object at 0x7fed47f79a90>.nx
+
+unit/test_diffusion2d_functions.py:57: AssertionError
+PASSED [ 83%]dt = 0.0011428571428571432
+PASSED    [100%]
+Process finished with exit code 1
+```
+
+(After changing the formula for `dt`: `dx2, dy2 = self.dx * self.dy, self.dx * self.dy`)
+```
+============================= test session starts ==============================
+collecting ... collected 6 items
+
+integration/test_diffusion2d.py::test_initialize_physical_parameters PASSED [ 16%]
+integration/test_diffusion2d.py::test_set_initial_condition PASSED       [ 33%]
+unit/test_diffusion2d_functions.py::test_initialize_domain PASSED        [ 50%]
+unit/test_diffusion2d_functions.py::test_initialize_domain_testcase_2 PASSED [ 66%]
+unit/test_diffusion2d_functions.py::test_initialize_physical_parameters FAILED [ 83%]dt = 0.001428571428571429
+
+unit/test_diffusion2d_functions.py:60 (test_initialize_physical_parameters)
+0.001428571428571429 != 0.001142 ± 1.0e-06
+
+Expected :0.001142 ± 1.0e-06
+Actual   :0.001428571428571429
+<Click to see difference>
+
+def test_initialize_physical_parameters():
+        """
+        Checks function SolveDiffusion2D.initialize_domain
+        """
+        solver = SolveDiffusion2D()
+        # Arrange
+        d = 3.5
+        T_cold = 342.4
+        T_hot = 723.15
+        solver.dx = 0.1
+        solver.dy = 0.2
+    
+        # Act
+        solver.initialize_physical_parameters(d, T_cold, T_hot)
+    
+        # Assert
+        assert solver.D == d
+        assert solver.T_cold == T_cold
+        assert solver.T_hot == T_hot
+>       assert solver.dt == pytest.approx(0.001142, abs=1e-6)
+E       assert 0.001428571428571429 == 0.001142 ± 1.0e-06
+E         
+E         comparison failed
+E         Obtained: 0.001428571428571429
+E         Expected: 0.001142 ± 1.0e-06
+
+unit/test_diffusion2d_functions.py:80: AssertionError
+
+unit/test_diffusion2d_functions.py::test_set_initial_condition PASSED    [100%]
+
+========================= 1 failed, 5 passed in 0.22s ==========================
+
+Process finished with exit code 1
+```
+
+(After introducing an error into `set_initial_condition` (wrong shape): `u = self.T_cold * np.ones((self.nx, self.nx))`)
+```
+============================= test session starts ==============================
+collecting ... collected 6 items
+
+integration/test_diffusion2d.py::test_initialize_physical_parameters 
+integration/test_diffusion2d.py::test_set_initial_condition 
+unit/test_diffusion2d_functions.py::test_initialize_domain PASSED [ 16%]PASSED       [ 33%]
+unit/test_diffusion2d_functions.py::test_initialize_domain_testcase_2 
+unit/test_diffusion2d_functions.py::test_initialize_physical_parameters 
+unit/test_diffusion2d_functions.py::test_set_initial_condition 
+
+========================= 1 failed, 5 passed in 0.22s ==========================
+PASSED        [ 50%]PASSED [ 66%]PASSED [ 83%]dt = 0.0007142857142857145
+FAILED    [100%]
+unit/test_diffusion2d_functions.py:82 (test_set_initial_condition)
+100 != 50
+
+Expected :50
+Actual   :100
+<Click to see difference>
+
+def test_set_initial_condition():
+        """
+        Checks function SolveDiffusion2D.get_initial_function
+        """
+        solver = SolveDiffusion2D()
+        # Arrange
+        solver.nx = 100
+        solver.ny = 50
+        solver.dx = 0.1
+        solver.dy = 0.2
+        solver.T_cold = 100.
+        solver.T_hot = 600.
+    
+        # Act
+        u: np.ndarray = solver.set_initial_condition()
+    
+        # Assert
+        # Domain has expected dimensions
+        assert u.shape[0] == solver.nx
+>       assert u.shape[1] == solver.ny
+E       assert 100 == 50
+E        +  where 50 = <diffusion2d.SolveDiffusion2D object at 0x7fc72874d340>.ny
+
+unit/test_diffusion2d_functions.py:102: AssertionError
+
+Process finished with exit code 1
+```
+
+(After introducing an error into `set_initial_condition` (inverse values): `if not p2 < r2:`)
+```
+============================= test session starts ==============================
+collecting ... collected 6 items
+
+integration/test_diffusion2d.py::test_initialize_physical_parameters 
+integration/test_diffusion2d.py::test_set_initial_condition 
+unit/test_diffusion2d_functions.py::test_initialize_domain PASSED [ 16%]PASSED       [ 33%]
+unit/test_diffusion2d_functions.py::test_initialize_domain_testcase_2 
+unit/test_diffusion2d_functions.py::test_initialize_physical_parameters 
+unit/test_diffusion2d_functions.py::test_set_initial_condition 
+
+========================= 1 failed, 5 passed in 0.21s ==========================
+PASSED        [ 50%]PASSED [ 66%]PASSED [ 83%]dt = 0.0007142857142857145
+FAILED    [100%]
+unit/test_diffusion2d_functions.py:82 (test_set_initial_condition)
+np.float64(600.0) != 100.0
+
+Expected :100.0
+Actual   :np.float64(600.0)
+<Click to see difference>
+
+def test_set_initial_condition():
+        """
+        Checks function SolveDiffusion2D.get_initial_function
+        """
+        solver = SolveDiffusion2D()
+        # Arrange
+        solver.nx = 100
+        solver.ny = 50
+        solver.dx = 0.1
+        solver.dy = 0.2
+        solver.T_cold = 100.
+        solver.T_hot = 600.
+    
+        # Act
+        u: np.ndarray = solver.set_initial_condition()
+    
+        # Assert
+        # Domain has expected dimensions
+        assert u.shape[0] == solver.nx
+        assert u.shape[1] == solver.ny
+        # Border is cold, center is hot
+>       assert u[0][0] == 100.
+E       assert np.float64(600.0) == 100.0
+
+unit/test_diffusion2d_functions.py:104: AssertionError
+
+Process finished with exit code 1
+```
 
 ### unittest log
 
diff --git a/tests/unit/test_diffusion2d_functions.py b/tests/unit/test_diffusion2d_functions.py
index c4277ffd..3855e1fd 100644
--- a/tests/unit/test_diffusion2d_functions.py
+++ b/tests/unit/test_diffusion2d_functions.py
@@ -1,6 +1,8 @@
 """
 Tests for functions in class SolveDiffusion2D
 """
+import numpy as np
+import pytest
 
 from diffusion2d import SolveDiffusion2D
 
@@ -10,6 +12,50 @@ def test_initialize_domain():
     Check function SolveDiffusion2D.initialize_domain
     """
     solver = SolveDiffusion2D()
+    # Arrange test values
+    w = 20.
+    h = 10.
+    dx = 2.
+    dy = 0.2
+
+    # Act (= Perform test action)
+    solver.initialize_domain(w, h, dx, dy)
+
+    # Assert
+    # "cheap" assertions
+    assert solver.w == w
+    assert solver.h == h
+    assert solver.dx == dx
+    assert solver.dy == dy
+    # Calculated values
+    assert solver.nx == 10
+    assert solver.ny == 50
+
+
+def test_initialize_domain_testcase_2():
+    """
+    Second testcase for function SolveDiffusion2D.initialize_domain
+    """
+    solver = SolveDiffusion2D()
+    # Arrange test values
+    # "unschöne" values
+    w = 15.2
+    h = 17.1
+    dx = 2.7
+    dy = 0.29
+
+    # Act (= Perform test action)
+    solver.initialize_domain(w, h, dx, dy)
+
+    # Assert
+    # "cheap" assertions
+    assert solver.w == w
+    assert solver.h == h
+    assert solver.dx == dx
+    assert solver.dy == dy
+    # Calculated values
+    assert solver.nx == 5
+    assert solver.ny == 58
 
 
 def test_initialize_physical_parameters():
@@ -17,6 +63,21 @@ def test_initialize_physical_parameters():
     Checks function SolveDiffusion2D.initialize_domain
     """
     solver = SolveDiffusion2D()
+    # Arrange
+    d = 3.5
+    T_cold = 342.4
+    T_hot = 723.15
+    solver.dx = 0.1
+    solver.dy = 0.2
+
+    # Act
+    solver.initialize_physical_parameters(d, T_cold, T_hot)
+
+    # Assert
+    assert solver.D == d
+    assert solver.T_cold == T_cold
+    assert solver.T_hot == T_hot
+    assert solver.dt == pytest.approx(0.001142, abs=1e-6)
 
 
 def test_set_initial_condition():
@@ -24,3 +85,28 @@ def test_set_initial_condition():
     Checks function SolveDiffusion2D.get_initial_function
     """
     solver = SolveDiffusion2D()
+    # Arrange
+    solver.nx = 100
+    solver.ny = 50
+    solver.dx = 0.1
+    solver.dy = 0.2
+    solver.T_cold = 100.
+    solver.T_hot = 600.
+
+    # Act
+    u: np.ndarray = solver.set_initial_condition()
+
+    # Assert
+    # Domain has expected dimensions
+    assert u.shape[0] == solver.nx
+    assert u.shape[1] == solver.ny
+    # Border is cold, center is hot
+    assert u[0][0] == 100.
+    assert u[99][0] == 100.
+    assert u[0][49] == 100.
+    assert u[99][49] == 100.
+
+    assert u[49][24] == 600.
+    assert u[50][24] == 600.
+    assert u[49][25] == 600.
+    assert u[50][25] == 600.

From b5e4701ac89b3e27b8c394c2d9051f52c0a22072 Mon Sep 17 00:00:00 2001
From: Kilian Krampf <kilian@krampf.de>
Date: Wed, 15 Jan 2025 16:55:24 +0100
Subject: [PATCH 3/6] Step 4: unittest Unit-Tests

---
 README.md                                     | 174 ++++++++++++++
 .../pytest_test_diffusion2d_functions.py.bak  | 112 +++++++++
 tests/unit/test_diffusion2d_functions.py      | 212 +++++++++---------
 3 files changed, 394 insertions(+), 104 deletions(-)
 create mode 100644 tests/unit/pytest_test_diffusion2d_functions.py.bak

diff --git a/README.md b/README.md
index 864e069f..ce6c7ce0 100644
--- a/README.md
+++ b/README.md
@@ -247,6 +247,180 @@ Process finished with exit code 1
 ```
 
 ### unittest log
+(After swapping `w` for `h` in the calculation of `nx`)
+```
+============================= test session starts ==============================
+collecting ... collected 4 items
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_domain FAILED [ 25%]
+test_diffusion2d_functions.py:16 (TestDiffusion2D.test_initialize_domain)
+10 != 5
+
+Expected :5
+Actual   :10
+<Click to see difference>
+
+self = <test_diffusion2d_functions.TestDiffusion2D testMethod=test_initialize_domain>
+
+    def test_initialize_domain(self):
+        """
+        Check function SolveDiffusion2D.initialize_domain
+        """
+        # Arrange test values
+        w = 20.
+        h = 10.
+        dx = 2.
+        dy = 0.2
+    
+        # Act (= Perform test action)
+        self.solver.initialize_domain(w, h, dx, dy)
+    
+        # Assert
+        # "cheap" assertions
+        self.assertEqual(self.solver.w, w)
+        self.assertEqual(self.solver.h, h)
+        self.assertEqual(self.solver.dx, dx)
+        self.assertEqual(self.solver.dy, dy)
+        # Calculated values
+>       self.assertEqual(self.solver.nx, 10)
+
+test_diffusion2d_functions.py:37: AssertionError
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_domain_testcase_2 FAILED [ 50%]
+test_diffusion2d_functions.py:39 (TestDiffusion2D.test_initialize_domain_testcase_2)
+5 != 6
+
+Expected :6
+Actual   :5
+<Click to see difference>
+
+self = <test_diffusion2d_functions.TestDiffusion2D testMethod=test_initialize_domain_testcase_2>
+
+    def test_initialize_domain_testcase_2(self):
+        """
+        Second testcase for function SolveDiffusion2D.initialize_domain
+        """
+        # Arrange test values
+        # "unschöne" values
+        w = 15.2
+        h = 17.1
+        dx = 2.7
+        dy = 0.29
+    
+        # Act (= Perform test action)
+        self.solver.initialize_domain(w, h, dx, dy)
+    
+        # Assert
+        # "cheap" assertions
+        self.assertEqual(self.solver.w, w)
+        self.assertEqual(self.solver.h, h)
+        self.assertEqual(self.solver.dx, dx)
+        self.assertEqual(self.solver.dy, dy)
+        # Calculated values
+>       self.assertEqual(self.solver.nx, 5)
+
+test_diffusion2d_functions.py:61: AssertionError
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_physical_parameters PASSED [ 75%]dt = 0.0011428571428571432
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_set_initial_condition PASSED [100%]
+
+========================= 2 failed, 2 passed in 0.21s ==========================
+
+Process finished with exit code 1
+```
+
+(After changing the formula for `dt`: `dx2, dy2 = self.dx * self.dy, self.dx * self.dy`)
+```
+============================= test session starts ==============================
+collecting ... collected 4 items
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_domain PASSED [ 25%]
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_domain_testcase_2 PASSED [ 50%]
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_physical_parameters FAILED [ 75%]dt = 0.001428571428571429
+
+test_diffusion2d_functions.py:63 (TestDiffusion2D.test_initialize_physical_parameters)
+self = <test_diffusion2d_functions.TestDiffusion2D testMethod=test_initialize_physical_parameters>
+
+    def test_initialize_physical_parameters(self):
+        """
+        Checks function SolveDiffusion2D.initialize_domain
+        """
+        # Arrange
+        d = 3.5
+        T_cold = 342.4
+        T_hot = 723.15
+        self.solver.dx = 0.1
+        self.solver.dy = 0.2
+    
+        # Act
+        self.solver.initialize_physical_parameters(d, T_cold, T_hot)
+    
+        # Assert
+        self.assertEqual(self.solver.D, d)
+        self.assertEqual(self.solver.T_cold, T_cold)
+        self.assertEqual(self.solver.T_hot, T_hot)
+        # unittest assumes rounding here, so the last decimal differs from pytest.
+>       self.assertAlmostEqual(self.solver.dt, 0.001143, 6)
+E       AssertionError: 0.001428571428571429 != 0.001143 within 6 places (0.0002855714285714291 difference)
+
+test_diffusion2d_functions.py:83: AssertionError
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_set_initial_condition PASSED [100%]
+
+========================= 1 failed, 3 passed in 0.22s ==========================
+
+Process finished with exit code 1
+```
+
+(After introducing an error into `set_initial_condition` (inverse values): `if not p2 < r2:`)
+```
+============================= test session starts ==============================
+collecting ... collected 4 items
+
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_domain 
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_domain_testcase_2 
+test_diffusion2d_functions.py::TestDiffusion2D::test_initialize_physical_parameters 
+test_diffusion2d_functions.py::TestDiffusion2D::test_set_initial_condition 
+
+========================= 1 failed, 3 passed in 0.22s ==========================
+PASSED [ 25%]PASSED [ 50%]PASSED [ 75%]dt = 0.0011428571428571432
+FAILED [100%]
+test_diffusion2d_functions.py:84 (TestDiffusion2D.test_set_initial_condition)
+100.0 != np.float64(600.0)
+
+Expected :np.float64(600.0)
+Actual   :100.0
+<Click to see difference>
+
+self = <test_diffusion2d_functions.TestDiffusion2D testMethod=test_set_initial_condition>
+
+    def test_set_initial_condition(self):
+        """
+        Checks function SolveDiffusion2D.get_initial_function
+        """
+        # Arrange
+        self.solver.nx = 100
+        self.solver.ny = 50
+        self.solver.dx = 0.1
+        self.solver.dy = 0.2
+        self.solver.T_cold = 100.
+        self.solver.T_hot = 600.
+    
+        # Act
+        u: np.ndarray = self.solver.set_initial_condition()
+    
+        # Assert
+        # Domain has expected dimensions
+        self.assertEqual(u.shape[0], self.solver.nx)
+        self.assertEqual(u.shape[1], self.solver.ny)
+        # Border is cold, center is hot
+>       self.assertEqual(u[0][0], 100.)
+
+test_diffusion2d_functions.py:105: AssertionError
+
+Process finished with exit code 1
+```
 
 ## Citing
 
diff --git a/tests/unit/pytest_test_diffusion2d_functions.py.bak b/tests/unit/pytest_test_diffusion2d_functions.py.bak
new file mode 100644
index 00000000..3855e1fd
--- /dev/null
+++ b/tests/unit/pytest_test_diffusion2d_functions.py.bak
@@ -0,0 +1,112 @@
+"""
+Tests for functions in class SolveDiffusion2D
+"""
+import numpy as np
+import pytest
+
+from diffusion2d import SolveDiffusion2D
+
+
+def test_initialize_domain():
+    """
+    Check function SolveDiffusion2D.initialize_domain
+    """
+    solver = SolveDiffusion2D()
+    # Arrange test values
+    w = 20.
+    h = 10.
+    dx = 2.
+    dy = 0.2
+
+    # Act (= Perform test action)
+    solver.initialize_domain(w, h, dx, dy)
+
+    # Assert
+    # "cheap" assertions
+    assert solver.w == w
+    assert solver.h == h
+    assert solver.dx == dx
+    assert solver.dy == dy
+    # Calculated values
+    assert solver.nx == 10
+    assert solver.ny == 50
+
+
+def test_initialize_domain_testcase_2():
+    """
+    Second testcase for function SolveDiffusion2D.initialize_domain
+    """
+    solver = SolveDiffusion2D()
+    # Arrange test values
+    # "unschöne" values
+    w = 15.2
+    h = 17.1
+    dx = 2.7
+    dy = 0.29
+
+    # Act (= Perform test action)
+    solver.initialize_domain(w, h, dx, dy)
+
+    # Assert
+    # "cheap" assertions
+    assert solver.w == w
+    assert solver.h == h
+    assert solver.dx == dx
+    assert solver.dy == dy
+    # Calculated values
+    assert solver.nx == 5
+    assert solver.ny == 58
+
+
+def test_initialize_physical_parameters():
+    """
+    Checks function SolveDiffusion2D.initialize_domain
+    """
+    solver = SolveDiffusion2D()
+    # Arrange
+    d = 3.5
+    T_cold = 342.4
+    T_hot = 723.15
+    solver.dx = 0.1
+    solver.dy = 0.2
+
+    # Act
+    solver.initialize_physical_parameters(d, T_cold, T_hot)
+
+    # Assert
+    assert solver.D == d
+    assert solver.T_cold == T_cold
+    assert solver.T_hot == T_hot
+    assert solver.dt == pytest.approx(0.001142, abs=1e-6)
+
+
+def test_set_initial_condition():
+    """
+    Checks function SolveDiffusion2D.get_initial_function
+    """
+    solver = SolveDiffusion2D()
+    # Arrange
+    solver.nx = 100
+    solver.ny = 50
+    solver.dx = 0.1
+    solver.dy = 0.2
+    solver.T_cold = 100.
+    solver.T_hot = 600.
+
+    # Act
+    u: np.ndarray = solver.set_initial_condition()
+
+    # Assert
+    # Domain has expected dimensions
+    assert u.shape[0] == solver.nx
+    assert u.shape[1] == solver.ny
+    # Border is cold, center is hot
+    assert u[0][0] == 100.
+    assert u[99][0] == 100.
+    assert u[0][49] == 100.
+    assert u[99][49] == 100.
+
+    assert u[49][24] == 600.
+    assert u[50][24] == 600.
+    assert u[49][25] == 600.
+    assert u[50][25] == 600.
diff --git a/tests/unit/test_diffusion2d_functions.py b/tests/unit/test_diffusion2d_functions.py
index 3855e1fd..87251d76 100644
--- a/tests/unit/test_diffusion2d_functions.py
+++ b/tests/unit/test_diffusion2d_functions.py
@@ -1,112 +1,116 @@
 """
 Tests for functions in class SolveDiffusion2D
 """
+from unittest import TestCase
+
 import numpy as np
-import pytest
+import unittest
 
 from diffusion2d import SolveDiffusion2D
 
 
-def test_initialize_domain():
-    """
-    Check function SolveDiffusion2D.initialize_domain
-    """
-    solver = SolveDiffusion2D()
-    # Arrange test values
-    w = 20.
-    h = 10.
-    dx = 2.
-    dy = 0.2
-
-    # Act (= Perform test action)
-    solver.initialize_domain(w, h, dx, dy)
-
-    # Assert
-    # "cheap" assertions
-    assert solver.w == w
-    assert solver.h == h
-    assert solver.dx == dx
-    assert solver.dy == dy
-    # Calculated values
-    assert solver.nx == 10
-    assert solver.ny == 50
-
-
-def test_initialize_domain_testcase_2():
-    """
-    Second testcase for function SolveDiffusion2D.initialize_domain
-    """
-    solver = SolveDiffusion2D()
-    # Arrange test values
-    # "unschöne" values
-    w = 15.2
-    h = 17.1
-    dx = 2.7
-    dy = 0.29
-
-    # Act (= Perform test action)
-    solver.initialize_domain(w, h, dx, dy)
-
-    # Assert
-    # "cheap" assertions
-    assert solver.w == w
-    assert solver.h == h
-    assert solver.dx == dx
-    assert solver.dy == dy
-    # Calculated values
-    assert solver.nx == 5
-    assert solver.ny == 58
-
-
-def test_initialize_physical_parameters():
-    """
-    Checks function SolveDiffusion2D.initialize_domain
-    """
-    solver = SolveDiffusion2D()
-    # Arrange
-    d = 3.5
-    T_cold = 342.4
-    T_hot = 723.15
-    solver.dx = 0.1
-    solver.dy = 0.2
-
-    # Act
-    solver.initialize_physical_parameters(d, T_cold, T_hot)
-
-    # Assert
-    assert solver.D == d
-    assert solver.T_cold == T_cold
-    assert solver.T_hot == T_hot
-    assert solver.dt == pytest.approx(0.001142, abs=1e-6)
-
-
-def test_set_initial_condition():
-    """
-    Checks function SolveDiffusion2D.get_initial_function
-    """
-    solver = SolveDiffusion2D()
-    # Arrange
-    solver.nx = 100
-    solver.ny = 50
-    solver.dx = 0.1
-    solver.dy = 0.2
-    solver.T_cold = 100.
-    solver.T_hot = 600.
-
-    # Act
-    u: np.ndarray = solver.set_initial_condition()
-
-    # Assert
-    # Domain has expected dimensions
-    assert u.shape[0] == solver.nx
-    assert u.shape[1] == solver.ny
-    # Border is cold, center is hot
-    assert u[0][0] == 100.
-    assert u[99][0] == 100.
-    assert u[0][49] == 100.
-    assert u[99][49] == 100.
-
-    assert u[49][24] == 600.
-    assert u[50][24] == 600.
-    assert u[49][25] == 600.
-    assert u[50][25] == 600.
+class TestDiffusion2D(unittest.TestCase):
+
+    def setUp(self):
+        self.solver = SolveDiffusion2D()
+
+    def test_initialize_domain(self):
+        """
+        Check function SolveDiffusion2D.initialize_domain
+        """
+        # Arrange test values
+        w = 20.
+        h = 10.
+        dx = 2.
+        dy = 0.2
+
+        # Act (= Perform test action)
+        self.solver.initialize_domain(w, h, dx, dy)
+
+        # Assert
+        # "cheap" assertions
+        self.assertEqual(self.solver.w, w)
+        self.assertEqual(self.solver.h, h)
+        self.assertEqual(self.solver.dx, dx)
+        self.assertEqual(self.solver.dy, dy)
+        # Calculated values
+        self.assertEqual(self.solver.nx, 10)
+        self.assertEqual(self.solver.ny, 50)
+
+    def test_initialize_domain_testcase_2(self):
+        """
+        Second testcase for function SolveDiffusion2D.initialize_domain
+        """
+        # Arrange test values
+        # "unschöne" values
+        w = 15.2
+        h = 17.1
+        dx = 2.7
+        dy = 0.29
+
+        # Act (= Perform test action)
+        self.solver.initialize_domain(w, h, dx, dy)
+
+        # Assert
+        # "cheap" assertions
+        self.assertEqual(self.solver.w, w)
+        self.assertEqual(self.solver.h, h)
+        self.assertEqual(self.solver.dx, dx)
+        self.assertEqual(self.solver.dy, dy)
+        # Calculated values
+        self.assertEqual(self.solver.nx, 5)
+        self.assertEqual(self.solver.ny, 58)
+
+    def test_initialize_physical_parameters(self):
+        """
+        Checks function SolveDiffusion2D.initialize_domain
+        """
+        # Arrange
+        d = 3.5
+        T_cold = 342.4
+        T_hot = 723.15
+        self.solver.dx = 0.1
+        self.solver.dy = 0.2
+
+        # Act
+        self.solver.initialize_physical_parameters(d, T_cold, T_hot)
+
+        # Assert
+        self.assertEqual(self.solver.D, d)
+        self.assertEqual(self.solver.T_cold, T_cold)
+        self.assertEqual(self.solver.T_hot, T_hot)
+        # unittest assumes rounding here, so the last decimal differs from pytest.
+        self.assertAlmostEqual(self.solver.dt, 0.001143, 6)
+
+    def test_set_initial_condition(self):
+        """
+        Checks function SolveDiffusion2D.get_initial_function
+        """
+        # Arrange
+        self.solver.nx = 100
+        self.solver.ny = 50
+        self.solver.dx = 0.1
+        self.solver.dy = 0.2
+        self.solver.T_cold = 100.
+        self.solver.T_hot = 600.
+
+        # Act
+        u: np.ndarray = self.solver.set_initial_condition()
+
+        # Assert
+        # Domain has expected dimensions
+        self.assertEqual(u.shape[0], self.solver.nx)
+        self.assertEqual(u.shape[1], self.solver.ny)
+        # Border is cold, center is hot
+        self.assertEqual(u[0][0], 100.)
+        self.assertEqual(u[99][0], 100.)
+        self.assertEqual(u[0][49], 100.)
+        self.assertEqual(u[99][49], 100.)
+
+        self.assertEqual(u[49][24], 600.)
+        self.assertEqual(u[50][24], 600.)
+        self.assertEqual(u[49][25], 600.)
+        self.assertEqual(u[50][25], 600.)
+
+if __name__ == '__main__':
+    unittest.main()
\ No newline at end of file

From 90e0893fb6c7284df478814e852f26a6a2b1b047 Mon Sep 17 00:00:00 2001
From: Kilian Krampf <kilian@krampf.de>
Date: Wed, 15 Jan 2025 17:12:59 +0100
Subject: [PATCH 4/6] Step 5: pytest Integration-Tests

---
 README.md                             | 91 +++++++++++++++++++++++++++
 tests/integration/test_diffusion2d.py | 27 ++++++++
 2 files changed, 118 insertions(+)

diff --git a/README.md b/README.md
index ce6c7ce0..56eec4c7 100644
--- a/README.md
+++ b/README.md
@@ -422,6 +422,97 @@ test_diffusion2d_functions.py:105: AssertionError
 Process finished with exit code 1
 ```
 
+### pytest-log for Integration-Tests
+
+(breaking `test_initialize_physical_parameters` by taking `dx2*dx2`)
+```
+============================= test session starts ==============================
+collecting ... collected 1 item
+
+test_diffusion2d.py::test_initialize_physical_parameters FAILED          [100%]dt = 0.006666666666666669
+
+test_diffusion2d.py:8 (test_initialize_physical_parameters)
+0.006666666666666669 != 0.001666 ± 1.0e-06
+
+Expected :0.001666 ± 1.0e-06
+Actual   :0.006666666666666669
+<Click to see difference>
+
+def test_initialize_physical_parameters():
+        """
+        Checks function SolveDiffusion2D.initialize_domain
+        """
+        solver = SolveDiffusion2D()
+        solver.initialize_domain(10., 20., 0.2, 0.1)
+        solver.initialize_physical_parameters(2.4, 0., 1.)
+        # dx2 = 0.04
+        # dy2 = 0.01
+        # dt = 0.0004 / (2*2.4*0.05) = 1/600 = 0.0016666
+>       assert solver.dt == pytest.approx(0.001666, abs=1e-6)
+E       assert 0.006666666666666669 == 0.001666 ± 1.0e-06
+E         
+E         comparison failed
+E         Obtained: 0.006666666666666669
+E         Expected: 0.001666 ± 1.0e-06
+
+test_diffusion2d.py:19: AssertionError
+
+
+============================== 1 failed in 0.21s ===============================
+
+Process finished with exit code 1
+```
+
+(breaking `test_set_initial_condition` by cubing instead of squaring)
+```
+============================= test session starts ==============================
+collecting ... collected 1 item
+
+test_diffusion2d.py::test_set_initial_condition FAILED                   [100%]dt = 0.09259259259259259
+
+test_diffusion2d.py:21 (test_set_initial_condition)
+0.0 != np.float64(1.0)
+
+Expected :np.float64(1.0)
+Actual   :0.0
+<Click to see difference>
+
+def test_set_initial_condition():
+        """
+        Checks function SolveDiffusion2D.get_initial_function
+        """
+        solver = SolveDiffusion2D()
+        solver.initialize_domain(10., 10., 1., 1.)
+        solver.initialize_physical_parameters(2.7, 0., 1.)
+        u = solver.set_initial_condition()
+    
+        expected_array= [
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+            [0., 0., 0., 0., 1., 1., 1., 0., 0., 0.],
+            [0., 0., 0., 0., 1., 1., 1., 0., 0., 0.],
+            [0., 0., 0., 0., 1., 1., 1., 0., 0., 0.],
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+            [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        ]
+    
+        for x in range(u.shape[0]):
+            for y in range(u.shape[1]):
+>               assert expected_array[x][y] == u[x, y], f"Values at {x}, {y} do not match"
+E               AssertionError: Values at 0, 0 do not match
+E               assert 0.0 == np.float64(1.0)
+
+test_diffusion2d.py:46: AssertionError
+
+
+============================== 1 failed in 0.21s ===============================
+
+Process finished with exit code 1
+```
+
 ## Citing
 
 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/).
diff --git a/tests/integration/test_diffusion2d.py b/tests/integration/test_diffusion2d.py
index fd026b40..a5bd1174 100644
--- a/tests/integration/test_diffusion2d.py
+++ b/tests/integration/test_diffusion2d.py
@@ -1,6 +1,7 @@
 """
 Tests for functionality checks in class SolveDiffusion2D
 """
+import pytest
 
 from diffusion2d import SolveDiffusion2D
 
@@ -10,6 +11,12 @@ def test_initialize_physical_parameters():
     Checks function SolveDiffusion2D.initialize_domain
     """
     solver = SolveDiffusion2D()
+    solver.initialize_domain(10., 20., 0.2, 0.1)
+    solver.initialize_physical_parameters(2.4, 0., 1.)
+    # dx2 = 0.04
+    # dy2 = 0.01
+    # dt = 0.0004 / (2*2.4*0.05) = 1/600 = 0.0016666
+    assert solver.dt == pytest.approx(0.001666, abs=1e-6)
 
 
 def test_set_initial_condition():
@@ -17,3 +24,23 @@ def test_set_initial_condition():
     Checks function SolveDiffusion2D.get_initial_function
     """
     solver = SolveDiffusion2D()
+    solver.initialize_domain(10., 10., 1., 1.)
+    solver.initialize_physical_parameters(2.7, 0., 1.)
+    u = solver.set_initial_condition()
+
+    expected_array= [
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        [0., 0., 0., 0., 1., 1., 1., 0., 0., 0.],
+        [0., 0., 0., 0., 1., 1., 1., 0., 0., 0.],
+        [0., 0., 0., 0., 1., 1., 1., 0., 0., 0.],
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+        [0., 0., 0., 0., 0., 0., 0., 0., 0., 0.],
+    ]
+
+    for x in range(u.shape[0]):
+        for y in range(u.shape[1]):
+            assert expected_array[x][y] == u[x, y], f"Values at {x}, {y} do not match"

From a1b39a741ddba8c537ac0d98345e00defb9ad422 Mon Sep 17 00:00:00 2001
From: Kilian Krampf <kilian@krampf.de>
Date: Wed, 15 Jan 2025 17:16:58 +0100
Subject: [PATCH 5/6] Step 6: Measure coverage

---
 coverage-report.pdf | Bin 0 -> 37464 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 coverage-report.pdf

diff --git a/coverage-report.pdf b/coverage-report.pdf
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HcmV?d00001


From 8b4ee2e7fcc5b0c9196d6bbccaf3ad73b01e27f1 Mon Sep 17 00:00:00 2001
From: Kilian Krampf <kilian@krampf.de>
Date: Wed, 15 Jan 2025 23:32:32 +0100
Subject: [PATCH 6/6] Step 7: Add tox.toml

---
 pyproject.toml   |  5 +++++
 requirements.txt |  2 ++
 tox.toml         | 12 ++++++++++++
 3 files changed, 19 insertions(+)
 create mode 100644 pyproject.toml
 create mode 100644 requirements.txt
 create mode 100644 tox.toml

diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 00000000..0a9352f0
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,5 @@
+# I had to add this file so pytest would actually find diffusion2d.py
+[ pyproject.toml]
+
+[tool.pytest.ini_options]
+pythonpath = "."
diff --git a/requirements.txt b/requirements.txt
new file mode 100644
index 00000000..ac3f2889
--- /dev/null
+++ b/requirements.txt
@@ -0,0 +1,2 @@
+numpy>=1.15.0
+matplotlib>=3.0.0
\ No newline at end of file
diff --git a/tox.toml b/tox.toml
new file mode 100644
index 00000000..874a35bd
--- /dev/null
+++ b/tox.toml
@@ -0,0 +1,12 @@
+requires = ["tox>=4"]
+env_list = ["pytest", "unittest"]
+
+[env.pytest]
+description = "Run pytest"
+deps = ["pytest>=8", "-r requirements.txt"]
+commands = [["pytest", "tests/integration/test_diffusion2d.py"]]
+
+[env.unittest]
+description = "Run unittest"
+deps = ["-r requirements.txt"]
+commands = [["python3", "-m", "unittest", "tests/unit/test_diffusion2d_functions.py"]]
\ No newline at end of file