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Remove deprecated tests that are not strictly true (#79)
* remove deprecated tests Signed-off-by: Marcel Müller <[email protected]> * remove random numpy seed as it's pointless now Signed-off-by: Marcel Müller <[email protected]> --------- Signed-off-by: Marcel Müller <[email protected]>
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test/conftest.py

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@@ -5,7 +5,6 @@
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import numpy as np
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import pytest
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np.random.seed(0)
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np.set_printoptions(precision=16)
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test/test_generate/test_generate_molecule.py

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@@ -40,19 +40,6 @@ def test_generate_atom_list(min_atoms, max_atoms, default_generate_config):
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assert np.sum(atom_list) >= min_atoms
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assert np.sum(atom_list) <= max_atoms
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# Check that the sum of transition and lanthanide metals is never greater than 3
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all_metals = (
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get_three_d_metals()
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+ get_four_d_metals()
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+ get_five_d_metals()
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+ get_lanthanides()
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)
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assert np.sum([atom_list[z] for z in all_metals]) <= 3
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# Check that the sum of alkali and alkaline earth metals is never greater than 3
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alkmetals = get_alkali_metals() + get_alkaline_earth_metals()
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assert np.sum([atom_list[z] for z in alkmetals]) <= 3
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# Test the element composition property of the GenerateConfig class
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def test_generate_config_element_composition(default_generate_config):

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