diff --git a/AUTHORS.txt b/AUTHORS.txt
new file mode 100644
index 0000000000000000000000000000000000000000..a4524a0bf420eb20c70ac698fa7516a79dcb85c1
--- /dev/null
+++ b/AUTHORS.txt
@@ -0,0 +1,5 @@
+
+Contributors:
+-------------
+
+ - Rahil Doshi <rahil.doshi@fau.de>
diff --git a/LICENSE b/LICENSE
new file mode 100644
index 0000000000000000000000000000000000000000..f15312f11a4b68216baa30ffd677f1caee6511fa
--- /dev/null
+++ b/LICENSE
@@ -0,0 +1,674 @@
+ GNU GENERAL PUBLIC LICENSE
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+GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE
+USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED TO LOSS OF
+DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD
+PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER PROGRAMS),
+EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF
+SUCH DAMAGES.
+
+ 17. Interpretation of Sections 15 and 16.
+
+ If the disclaimer of warranty and limitation of liability provided
+above cannot be given local legal effect according to their terms,
+reviewing courts shall apply local law that most closely approximates
+an absolute waiver of all civil liability in connection with the
+Program, unless a warranty or assumption of liability accompanies a
+copy of the Program in return for a fee.
+
+ END OF TERMS AND CONDITIONS
+
+ How to Apply These Terms to Your New Programs
+
+ If you develop a new program, and you want it to be of the greatest
+possible use to the public, the best way to achieve this is to make it
+free software which everyone can redistribute and change under these terms.
+
+ To do so, attach the following notices to the program. It is safest
+to attach them to the start of each source file to most effectively
+state the exclusion of warranty; and each file should have at least
+the "copyright" line and a pointer to where the full notice is found.
+
+ pymatlib
+ Copyright (C) 2024 Rahil Doshi
+
+ This program is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ This program is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with this program. If not, see <https://www.gnu.org/licenses/>.
+
+Also add information on how to contact you by electronic and paper mail.
+
+ If the program does terminal interaction, make it output a short
+notice like this when it starts in an interactive mode:
+
+ pymatlib Copyright (C) 2024 Rahil Doshi
+ This program comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
+ This is free software, and you are welcome to redistribute it
+ under certain conditions; type `show c' for details.
+
+The hypothetical commands `show w' and `show c' should show the appropriate
+parts of the General Public License. Of course, your program's commands
+might be different; for a GUI interface, you would use an "about box".
+
+ You should also get your employer (if you work as a programmer) or school,
+if any, to sign a "copyright disclaimer" for the program, if necessary.
+For more information on this, and how to apply and follow the GNU GPL, see
+<https://www.gnu.org/licenses/>.
+
+ The GNU General Public License does not permit incorporating your program
+into proprietary programs. If your program is a subroutine library, you
+may consider it more useful to permit linking proprietary applications with
+the library. If this is what you want to do, use the GNU Lesser General
+Public License instead of this License. But first, please read
+<https://www.gnu.org/licenses/why-not-lgpl.html>.
\ No newline at end of file
diff --git a/MANIFEST.in b/MANIFEST.in
new file mode 100644
index 0000000000000000000000000000000000000000..28dbf3cad29dfa121c69cecfcc4c1be659fab5ce
--- /dev/null
+++ b/MANIFEST.in
@@ -0,0 +1,14 @@
+include LICENSE
+include README.md
+include AUTHORS.txt
+include pyproject.toml
+
+recursive-include src/pymatlib *
+recursive-include src/pymatlib/data *
+recursive-include docs *
+
+recursive-exclude * __pycache__
+recursive-exclude * *.py[co]
+
+prune apps
+prune tests
\ No newline at end of file
diff --git a/pyproject.toml b/pyproject.toml
index c9cd63d20807592dffd02fedd7c677b6b1de1262..1ce593d3d95bf4e3cbb5f7bf2403569be7a7b80a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,6 +1,8 @@
[project]
name = "pymatlib"
-authors=[
+version = "0.1.0"
+description = "A Python based material library"
+authors = [
{name = "Rahil Doshi", email = "rahil.doshi@fau.de"},
]
dependencies = [
@@ -8,11 +10,55 @@ dependencies = [
]
requires-python = ">=3.10"
readme = "README.md"
-version = "0.1.0"
+license = {file = "LICENSE"}
+classifiers = [
+ "Programming Language :: Python :: 3",
+ "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
+ "Operating System :: OS Independent",
+ "Topic :: Software Development",
+ "Topic :: Scientific/Engineering :: Physics",
+ "Intended Audience :: Developers",
+ "Intended Audience :: Science/Research",
+]
+
+[project.optional-dependencies]
+test = [
+ "pytest",
+ "pytest-cov",
+]
+
+[project.urls]
+"Homepage" = "https://i10git.cs.fau.de/rahil.doshi/pymatlib"
+"Bug Tracker" = "https://i10git.cs.fau.de/rahil.doshi/pymatlib/-/issues"
[build-system]
requires = [
"setuptools>=69",
+ "wheel",
]
-
build-backend = "setuptools.build_meta"
+
+[tool.setuptools.packages.find]
+where = ["src"]
+include = ["pymatlib*"]
+
+[tool.pytest.ini_options]
+addopts = "-v" # --cov=pymatlib
+testpaths = [
+ "tests",
+]
+# pythonpath = ["src"]
+
+[tool.setuptools]
+include-package-data = true
+
+[tool.mypy]
+ignore_missing_imports = true
+
+[tool.black]
+line-length = 120
+target-version = ['py310']
+
+[tool.isort]
+profile = "black"
+line_length = 120
\ No newline at end of file
diff --git a/src/pymatlib/tests/__init__.py b/src/pymatlib/tests/__init__.py
deleted file mode 100644
index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..0000000000000000000000000000000000000000
diff --git a/src/pymatlib/tests/create_test_files.py b/src/pymatlib/tests/create_test_files.py
deleted file mode 100644
index 862ac180486533d91384db0cd7c9d13ad7acdf5b..0000000000000000000000000000000000000000
--- a/src/pymatlib/tests/create_test_files.py
+++ /dev/null
@@ -1,142 +0,0 @@
-import os
-
-
-def create_test_files() -> None:
- """
- Creates a folder named 'test_files' and generates test files with predefined contents.
- """
- # Create the test_files directory if it doesn't exist
- os.makedirs("test_files", exist_ok=True)
-
- files_content = {
- "test_files/test_data_normal.txt": """Temp Density
-3405 58.05
-3300 57.0
-3250 56.5
-3100 55.0
-3000 54.0
-2905 53.05
-""",
- "test_files/test_data_normal1.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0
-3100 55.0
-3050 54.5
-3000 54.0
-2900 53.0
-2800 52.0
-""",
- "test_files/test_data_variable_spacing.txt": """Temp Density
-3400 58.0
-3250 56.5
-3150 55.5
-3050 54.5
-2950 53.5
-2850 52.5
-2750 51.5
-2650 50.5
-""",
- "test_files/test_data_sparse.txt": """Temp Density
-3400 58.0
-3000 54.0
-2600 50.0
-2200 46.0
-""",
- "test_files/test_data_missing_values.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0
-3100 55.0
-3000 NaN
-2900 53.0
-2800 52.1
-""",
- "test_files/test_data_descending.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0
-3100 55.0
-3000 54.0
-2900 53.0
-2800 52.1
-""",
- "test_files/test_data_duplicates.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0
-3100 55.0
-3050 54.5
-3000 54.0
-3000 53.5
-2900 53.0
-""",
- "test_files/test_data_empty.txt": """
-""",
- "test_files/test_data_header.txt": """Temp Density
-
-""",
- "test_files/test_data_invalid_data.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0
-3100 55.0
-3000 Invalid
-2900 53.0
-2800 52.1
-""",
- "test_files/test_data_mismatched_columns.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0 1
-3100 55.0
-3050 54.5 2 3
-3000 54.0
-3000 53.5
-2900 53.0 4
-""",
- "test_files/test_data_missing_data.txt": """Temp Density
-3400 58.0
-3300 57.0
-3200 56.0
-3100 55.0
-3050
-3000 54.0
-3000 53.5
-2900 53
-""",
- "test_files/test_data_density_temperature_ascending.txt": """Temp Density
-1500.0 7.008098755
-1490.0 7.015835416
-1480.0 7.023544996
-1470.0 7.031227258
-1460.0 7.038881969
-1459.63 7.039161939
-1450.0 7.101066042
-1440.0 7.134387853
-1434.71 7.147271626
-1430.0 7.177458788
-1420.0 7.211193546
-1410.0 7.228319303
-1400.0 7.239681101
-""",
- "test_files/test_data_density_temperature_descending.txt": """Temp Density
-1500.0 7.008098755
-1490.0 7.015835416
-1480.0 7.023544996
-1470.0 7.031227258
-1460.0 7.038881969
-1459.63 7.039161939
-1450.0 7.101066042
-1440.0 7.134387853
-1434.71 7.147271626
-1430.0 7.177458788
-1420.0 7.211193546
-1410.0 7.228319303
-1400.0 7.239681101
-""",
- }
-
- for filename, content in files_content.items():
- with open(filename, 'w') as file:
- file.write(content)
diff --git a/src/pymatlib/tests/tests.py b/src/pymatlib/tests/tests.py
deleted file mode 100644
index b99228685b1b5dd22e620478081446513157ab91..0000000000000000000000000000000000000000
--- a/src/pymatlib/tests/tests.py
+++ /dev/null
@@ -1,326 +0,0 @@
-import pytest
-import numpy as np
-import sympy as sp
-from pystencils.types.quick import Arr
-
-from src.pymatlib.core.alloy import Alloy
-from src.pymatlib.data.alloys.SS316L.SS316L import create_SS316L
-from src.pymatlib.core.assignment_converter import type_mapping, assignment_converter
-from src.pymatlib.data.element_data import Fe, Cr, Mn, Ni
-from src.pymatlib.core.interpolators import interpolate_property, interpolate_lookup, interpolate_equidistant, \
- test_equidistant
-from src.pymatlib.core.models import density_by_thermal_expansion, thermal_diffusivity_by_heat_conductivity
-from src.pymatlib.core.typedefs import MaterialProperty, Assignment
-
-
-def test_alloy_creation():
- # Test creating an alloy with valid elemental composition and phase transition temperatures
- alloy = Alloy(elements=[Fe, Cr, Mn, Ni], composition=[0.7, 0.2, 0.05, 0.05], temperature_solidus=1700, temperature_liquidus=1800)
- assert np.allclose(alloy.composition, [0.7, 0.2, 0.05, 0.05])
- assert alloy.temperature_solidus == 1700
- assert alloy.temperature_liquidus == 1800
-
- # Test creating an alloy with invalid elemental composition
- with pytest.raises(ValueError):
- Alloy(elements=[Fe, Cr], composition=[0.6, 0.5], temperature_solidus=1700, temperature_liquidus=1800)
-
- # Test creating an alloy with invalid phase transition temperatures
- with pytest.raises(ValueError):
- Alloy(elements=[Fe, Cr, Mn, Ni], composition=[0.7, 0.2, 0.05, 0.05], temperature_solidus=1900, temperature_liquidus=1800)
-
-def test_create_SS316L():
- # Test creating SS316L alloy with a float temperature input
- alloy = create_SS316L(1400.0)
- assert isinstance(alloy.density, MaterialProperty)
- assert isinstance(alloy.heat_capacity, MaterialProperty)
- assert isinstance(alloy.heat_conductivity, MaterialProperty)
- assert isinstance(alloy.thermal_diffusivity, MaterialProperty)
-
- # Test creating SS316L alloy with a symbolic temperature input
- T = sp.Symbol('T')
- alloy = create_SS316L(T)
- assert isinstance(alloy.density, MaterialProperty)
- assert isinstance(alloy.heat_capacity, MaterialProperty)
- assert isinstance(alloy.heat_conductivity, MaterialProperty)
- assert isinstance(alloy.thermal_diffusivity, MaterialProperty)
-
- # Test creating SS316L alloy with different combinations of property calculation methods
- alloy = create_SS316L(1400.0)
- alloy.density = alloy.density.expr
- alloy.heat_capacity = alloy.heat_capacity.evalf(T, 1400.0)
- assert isinstance(alloy.density, sp.Expr)
- assert isinstance(alloy.heat_capacity, float)
-
-def test_interpolate_property():
- # Test interpolating properties with float temperature inputs
- T_symbol = sp.Symbol('T') # Define a symbolic variable
- T_value = 1400.0
- temp_array = np.array([1300.0, 1400.0, 1500.0])
- prop_array = np.array([100.0, 200.0, 300.0])
- result = interpolate_property(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test interpolating properties with symbolic temperature inputs
- result = interpolate_property(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test interpolating properties with different combinations of temperature and property arrays
- temp_array = [1300.0, 1400.0, 1500.0]
- prop_array = [100.0, 200.0, 300.0]
- result = interpolate_property(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- temp_array = tuple([1300.0, 1400.0, 1500.0])
- prop_array = tuple([100.0, 200.0, 300.0])
- result = interpolate_property(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test with ascending and descending order arrays
- temp_array_asc = np.array([1300.0, 1400.0, 1500.0])
- prop_array_asc = np.array([100.0, 200.0, 300.0])
- result_asc = interpolate_property(T_symbol, temp_array_asc, prop_array_asc)
- assert isinstance(result_asc, MaterialProperty)
- assert np.isclose(result_asc.evalf(T_symbol, T_value), 200.0)
-
- temp_array_desc = np.array([1500.0, 1400.0, 1300.0])
- prop_array_desc = np.array([300.0, 200.0, 100.0])
- result_desc = interpolate_property(T_symbol, temp_array_desc, prop_array_desc)
- assert isinstance(result_desc, MaterialProperty)
- assert np.isclose(result_desc.evalf(T_symbol, T_value), 200.0)
-
- # Test with different temp_array_limit values
- result_limit_6 = interpolate_property(T_symbol, temp_array_asc, prop_array_asc, temp_array_limit=6)
- assert isinstance(result_limit_6, MaterialProperty)
- assert np.isclose(result_limit_6.evalf(T_symbol, T_value), 200.0)
-
- result_limit_3 = interpolate_property(T_symbol, temp_array_asc, prop_array_asc, temp_array_limit=3)
- assert isinstance(result_limit_3, MaterialProperty)
- assert np.isclose(result_limit_3.evalf(T_symbol, T_value), 200.0)
-
- # Test with force_lookup True and False
- result_force_lookup_true = interpolate_property(T_symbol, temp_array_asc, prop_array_asc, force_lookup=True)
- assert isinstance(result_force_lookup_true, MaterialProperty)
- assert np.isclose(result_force_lookup_true.evalf(T_symbol, T_value), 200.0)
-
- result_force_lookup_false = interpolate_property(T_symbol, temp_array_asc, prop_array_asc, force_lookup=False)
- assert isinstance(result_force_lookup_false, MaterialProperty)
- assert np.isclose(result_force_lookup_false.evalf(T_symbol, T_value), 200.0)
-
-def test_interpolate_lookup():
- # Define a symbolic variable
- T_symbol = sp.Symbol('T')
-
- # Test lookup interpolation with float temperature inputs
- T_value = 1400.0
- temp_array = np.array([1300.0, 1400.0, 1500.0])
- prop_array = np.array([100.0, 200.0, 300.0])
- result = interpolate_lookup(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test lookup interpolation with symbolic temperature inputs
- result = interpolate_lookup(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test with different combinations of temperature and property arrays
- temp_array = [1300.0, 1400.0, 1500.0]
- prop_array = [100.0, 200.0, 300.0]
- result = interpolate_lookup(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- temp_array = tuple([1300.0, 1400.0, 1500.0])
- prop_array = tuple([100.0, 200.0, 300.0])
- result = interpolate_lookup(T_symbol, temp_array, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test with ascending and descending order arrays
- temp_array_asc = np.array([1300.0, 1400.0, 1500.0])
- prop_array_asc = np.array([100.0, 200.0, 300.0])
- result_asc = interpolate_lookup(T_symbol, temp_array_asc, prop_array_asc)
- assert isinstance(result_asc, MaterialProperty)
- assert np.isclose(result_asc.evalf(T_symbol, T_value), 200.0)
-
- temp_array_desc = np.array([1500.0, 1400.0, 1300.0])
- prop_array_desc = np.array([300.0, 200.0, 100.0])
- result_desc = interpolate_lookup(T_symbol, temp_array_desc, prop_array_desc)
- assert isinstance(result_desc, MaterialProperty)
- assert np.isclose(result_desc.evalf(T_symbol, T_value), 200.0)
-
-def test_interpolate_equidistant():
- # Define a symbolic variable
- T_symbol = sp.Symbol('T')
-
- # Test equidistant interpolation with float temperature inputs
- T_value = 1400.0
- temp_base = 1300.0
- temp_incr = 100.0
- prop_array = np.array([100.0, 200.0, 300.0])
- result = interpolate_equidistant(T_value, temp_base, temp_incr, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test equidistant interpolation with symbolic temperature inputs
- result = interpolate_equidistant(T_symbol, temp_base, temp_incr, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test with different combinations of temperature and property arrays
- temp_base = 1300.0
- temp_incr = 100.0
- prop_array = [100.0, 200.0, 300.0]
- result = interpolate_equidistant(T_symbol, temp_base, temp_incr, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- temp_base = 1300.0
- temp_incr = 100.0
- prop_array = tuple([100.0, 200.0, 300.0])
- result = interpolate_equidistant(T_symbol, temp_base, temp_incr, prop_array)
- assert isinstance(result, MaterialProperty)
- assert np.isclose(result.evalf(T_symbol, T_value), 200.0)
-
- # Test with ascending and descending order arrays
- temp_base = 1300.0
- temp_incr = 100.0
- prop_array_asc = np.array([100.0, 200.0, 300.0])
- result_asc = interpolate_equidistant(T_symbol, temp_base, temp_incr, prop_array_asc)
- assert isinstance(result_asc, MaterialProperty)
- assert np.isclose(result_asc.evalf(T_symbol, T_value), 200.0)
-
- temp_base = 1300.0
- temp_incr = 100.0
- prop_array_desc = np.array([300.0, 200.0, 100.0])
- result_desc = interpolate_equidistant(T_symbol, temp_base, temp_incr, prop_array_desc)
- assert isinstance(result_desc, MaterialProperty)
- assert np.isclose(result_desc.evalf(T_symbol, T_value), 200.0)
-
-# Define the temp fixture
-@pytest.fixture
-def temp():
- return np.array([100.0, 200.0, 300.0, 400.0, 500.0])
-
-def test_test_equidistant(temp):
- # Test with equidistant temperature array
- assert test_equidistant(temp) == 100.0
-
- # Test with non-equidistant temperature array
- temp_non_equidistant = np.array([100.0, 150.0, 300.0, 450.0, 500.0])
- assert test_equidistant(temp_non_equidistant) == 0.0
-
-def test_density_by_thermal_expansion():
- # Test calculating density with float temperature and thermal expansion coefficient inputs
- T = 1400.0
- T_ref = 1000.0
- rho_ref = 8000.0
- alpha = 1e-5
- result = density_by_thermal_expansion(T, T_ref, rho_ref, alpha)
- assert np.isclose(result, 7904.76)
-
- # Test calculating density with symbolic temperature and thermal expansion coefficient inputs
- T = sp.Symbol('T')
- result = density_by_thermal_expansion(T, T_ref, rho_ref, alpha)
- assert isinstance(result, sp.Expr)
- assert np.isclose(result.subs(T, 1400.0), 7904.76)
-
- # Test calculating density with numpy array temperature and thermal expansion coefficient inputs
- T = np.array([1300.0, 1400.0, 1500.0])
- result = density_by_thermal_expansion(T, T_ref, rho_ref, alpha)
- assert isinstance(result, np.ndarray)
- assert np.allclose(result, [7928.43, 7904.76, 7881.19])
-
-def test_thermal_diffusivity_by_heat_conductivity():
- # Test calculating thermal diffusivity with float heat conductivity, density, and heat capacity inputs
- k = 50.0
- rho = 8000.0
- c_p = 500.0
- result = thermal_diffusivity_by_heat_conductivity(k, rho, c_p)
- assert np.isclose(result, 1.25e-5)
-
- # Test calculating thermal diffusivity with symbolic heat conductivity, density, and heat capacity inputs
- k = sp.Symbol('k')
- rho = sp.Symbol('rho')
- c_p = sp.Symbol('c_p')
- result = thermal_diffusivity_by_heat_conductivity(k, rho, c_p)
- assert isinstance(result, sp.Expr)
- assert result == k / (rho * c_p)
-
- # Test calculating thermal diffusivity with numpy array heat conductivity, density, and heat capacity inputs
- k = np.array([50.0, 60.0, 70.0])
- rho = np.array([8000.0, 8100.0, 8200.0])
- c_p = np.array([500.0, 510.0, 520.0])
- result = thermal_diffusivity_by_heat_conductivity(k, rho, c_p)
- assert isinstance(result, np.ndarray)
- assert np.allclose(result, [1.25e-5, 1.45243282e-5, 1.64165103e-5])
-
-def test_alloy_single_element():
- # Test creating an alloy with a single element
- alloy = Alloy(elements=[Fe], composition=[1.0], temperature_solidus=1800, temperature_liquidus=1900)
- assert len(alloy.elements) == 1
- assert alloy.composition == [1.0]
-
-def test_alloy_property_modification():
- # Test accessing and modifying individual alloy properties
- alloy = create_SS316L(1400.0)
- assert isinstance(alloy.density, MaterialProperty)
- # Set the density to a MaterialProperty instance with a constant expression
- alloy.density = MaterialProperty(expr=sp.Float(8000.0))
- assert alloy.density.expr == sp.Float(8000.0)
-
-def test_create_SS316L_invalid_temperature():
- # Test creating SS316L alloy with invalid temperature inputs
- with pytest.raises(ValueError):
- create_SS316L(-100.0) # Negative temperature
- with pytest.raises(ValueError):
- create_SS316L(3500.0) # Temperature outside valid range
-
-def test_density_by_thermal_expansion_invalid_inputs():
- # Test calculating density with invalid temperature or thermal expansion coefficient inputs
- with pytest.raises(ValueError):
- density_by_thermal_expansion(-100.0, 1000.0, 8000.0, 1e-5)
- with pytest.raises(ValueError):
- density_by_thermal_expansion(1000.0, -1000.0, 8000.0, 1e-5)
- with pytest.raises(ValueError):
- density_by_thermal_expansion(1000.0, 1000.0, -8000.0, 1e-5)
- with pytest.raises(ValueError):
- density_by_thermal_expansion(1000.0, 1000.0, 8000.0, -1e-5)
- with pytest.raises(ValueError):
- density_by_thermal_expansion(np.array([-100.0, 1000.0]), 1000.0, 8000.0, 1e-5)
-
-def test_thermal_diffusivity_invalid_inputs():
- # Test calculating thermal diffusivity with invalid heat conductivity, density, or heat capacity inputs
- with pytest.raises(ValueError):
- thermal_diffusivity_by_heat_conductivity(-10.0, 8000.0, 500.0) # Negative heat conductivity
- with pytest.raises(ValueError):
- thermal_diffusivity_by_heat_conductivity(50.0, -8000.0, 500.0) # Negative density
- with pytest.raises(ValueError):
- thermal_diffusivity_by_heat_conductivity(50.0, 8000.0, -500.0) # Negative heat capacity
-
-def test_type_mapping_unsupported():
- # Test mapping unsupported type strings
- with pytest.raises(ValueError):
- type_mapping("unsupported_type", 1)
-
-# Additional test cases
-def test_type_mapping():
- assert isinstance(type_mapping("double[]", 5), Arr)
- assert isinstance(type_mapping("float[]", 3), Arr)
- assert type_mapping("double", 1) == np.dtype('float64')
- assert type_mapping("float", 1) == np.dtype('float32')
- assert type_mapping("int", 1) == np.dtype('int32')
- assert type_mapping("bool", 1) == np.dtype('bool')
-
- with pytest.raises(ValueError):
- type_mapping("unsupported_type", 1)
-
-def test_assignment_converter_invalid():
- # Test converting assignments with invalid or missing attributes
- invalid_assignment = Assignment(lhs=None, rhs=None, lhs_type=None)
- with pytest.raises(ValueError, match="Invalid assignment: lhs, rhs, and lhs_type must not be None"):
- assignment_converter([invalid_assignment])