Add new test cases and move the older test cases from alloy.py into...

Add new test cases and move the older test cases from alloy.py into test_alloy.py. Add run_tests.py for running all tessts together

run_tests.py

+#!/usr/bin/env python3
+import pytest
+import sys
+
+if __name__ == "__main__":
+    sys.exit(pytest.main())

tests/test_alloy.py

+import pytest
+import numpy as np
+from pymatlib.core.alloy import Alloy, AlloyCompositionError, AlloyTemperatureError
+from pymatlib.data.element_data import Ti, Al, V
+
+def test_valid_alloy():
+    Ti64 = Alloy([Ti, Al, V], [0.90, 0.06, 0.04], 1878, 1928)
+    assert np.isclose(Ti64.atomic_number, 0.90 * Ti.atomic_number + 0.06 * Al.atomic_number + 0.04 * V.atomic_number)
+    assert Ti64.heat_conductivity is None
+    Ti64.heat_conductivity = 34.
+    assert Ti64.heat_conductivity == 34.
+
+def test_invalid_composition():
+    with pytest.raises(ValueError):
+        Alloy([Ti, Al, V], [0.5, 0.5], 1878., 1928.)
+
+def test_empty_composition():
+    with pytest.raises(ValueError):
+        Alloy([Ti], [], 1878., 1928.)
+
+def test_single_element_alloy():
+    single_element_alloy = Alloy([Ti], [1.0], 1878., 1928.)
+    assert single_element_alloy.atomic_number == Ti.atomic_number
+
+def test_boundary_temperatures():
+    boundary_alloy = Alloy([Ti, Al, V], [0.33, 0.33, 0.34], -273.15, 10000)
+    assert boundary_alloy.temperature_solidus == -273.15
+    assert boundary_alloy.temperature_liquidus == 10000.
+
+def test_default_properties():
+    default_alloy = Alloy([Ti], [1.0], 1878., 1928.)
+    assert default_alloy.density is None
+
+def test_composition_sum_error():
+    """Test if AlloyCompositionError is raised when composition sum is not 1.0"""
+    with pytest.raises(AlloyCompositionError):
+        Alloy([Ti, Al, V], [0.5, 0.4, 0.4], 1878., 1928.)
+
+def test_temperature_order_error():
+    """Test if AlloyTemperatureError is raised when solidus > liquidus"""
+    with pytest.raises(AlloyTemperatureError):
+        Alloy([Ti], [1.0], 1928., 1878.)
+
+def test_empty_elements_error():
+    """Test if ValueError is raised when elements list is empty"""
+    with pytest.raises(ValueError):
+        Alloy([], [1.0], 1878., 1928.)
+
+def test_elements_composition_length_mismatch():
+    """Test if ValueError is raised when elements and composition lengths don't match"""
+    with pytest.raises(ValueError):
+        Alloy([Ti, Al], [0.5], 1878., 1928.)
+
+def test_solidification_interval():
+    """Test if solidification_interval returns correct temperatures"""
+    alloy = Alloy([Ti], [1.0], 1878., 1928.)
+    assert alloy.solidification_interval() == (1878., 1928.)
+
+def test_calculated_properties():
+    """Test if all calculated properties are set correctly"""
+    alloy = Alloy([Ti], [1.0], 1878., 1928.)
+    assert hasattr(alloy, 'atomic_number')
+    assert hasattr(alloy, 'atomic_mass')
+    assert hasattr(alloy, 'temperature_boil')
+    assert isinstance(alloy.atomic_number, float)
+    assert isinstance(alloy.atomic_mass, float)
+    assert isinstance(alloy.temperature_boil, float)
+
+def test_optional_properties_initialization():
+    """Test if all optional properties are initialized to None"""
+    alloy = Alloy([Ti], [1.0], 1878., 1928.)
+    assert all(getattr(alloy, prop) is None for prop in [
+        'density', 'dynamic_viscosity', 'heat_capacity', 'heat_conductivity',
+        'kinematic_viscosity', 'latent_heat_of_fusion', 'latent_heat_of_vaporization',
+        'surface_tension', 'thermal_diffusivity', 'thermal_expansion_coefficient'
+    ])
+
+def test_composition_values_range():
+    """Test if ValueError is raised when composition values are not between 0 and 1"""
+    with pytest.raises(ValueError):
+        Alloy([Ti], [-0.5], 1878., 1928.)
+    with pytest.raises(ValueError):
+        Alloy([Ti], [1.5], 1878., 1928.)
+
+# works only with property descriptors and private field definition in alloy.py
+'''def test_invalid_property_assignment():
+    Ti64 = Alloy([Ti, Al, V], [0.90, 0.06, 0.04], 1878., 1928.)
+    with pytest.raises(TypeError):
+        Ti64.heat_conductivity = "invalid_value"'''