update/SOF 7453 #187
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update/SOF 7453 #187
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VsevolodX
commented
Jan 11, 2025
VsevolodX
commented
- update: add function to create empty material
- update: add tests for empty material
- update: test to sync cell with lattice
src/py/mat3ra/made/tools/modify.py
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| material: Material, | ||
| vector: Optional[List[float]] = None, | ||
| use_cartesian_coordinates: bool = False, | ||
| material: Material, |
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Indentation needs to be fixed
tests/py/unit/test_material.py
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| a=2.0, b=3.0, c=4.0, alpha=80.0, beta=85.0, gamma=95.0, lattice_type="TRI", name="Custom Empty" | ||
| ) | ||
| assert material.basis.elements.values == [] | ||
| assert material.basis.coordinates.values == [] |
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Test empty should only check the emptiness.
The actual parameter values should be in test_create.
On the material level we should just check lattice and basis, name - top-level params
For lattice/basis we should have separate tests (create, etc) that check their internal parameters
src/py/mat3ra/made/material.py
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| config = {"name": name, "basis": basis_config, "lattice": lattice_config} | ||
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| return cls(config) |
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Too much code - should just be `self.create(config_with_empty_basis)
src/py/mat3ra/made/material.py
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| }, | ||
| } | ||
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| config = {"name": name, "basis": basis_config, "lattice": lattice_config} |
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This is code duplicate - needs to be handled at the lattice level or through self.create
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