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Update test_fragment.py
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hyunp2 authored Dec 4, 2023
1 parent f65feaf commit 588e596
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6 changes: 0 additions & 6 deletions tests/test_fragment.py
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from mofa.generator import train_generator, run_generator
import os

@mark.parametrize('n_atoms', [3])
@mark.parametrize('node', ['CuCu', 'ZnZn', 'ZnOZnZnZn'])
@mark.parametrize('n_samples', [1, 3])
def test_sampling_num_atoms(n_atoms, node, n_samples):
run_generator(n_atoms=n_atoms, node=node, n_samples=n_samples)

@mark.parametrize('nodes', [['CuCu'], ['CuCu', 'ZnZn']])
def test_fragmentation(nodes):
# fragmentation(nodes)
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