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Update test_generator.py
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hyunp2 authored Dec 4, 2023
1 parent b81886b commit cc416c1
Showing 1 changed file with 7 additions and 2 deletions.
9 changes: 7 additions & 2 deletions tests/test_generator.py
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,7 @@
from mofa.utils.src.lightning import DDPM
from mofa.utils.src.linker_size_lightning import SizeClassifier
from mofa.utils.difflinker_sample_and_analyze import main_run
from mofa.fragment import fragment_mof_linkers
import os

def test_cuda():
Expand Down Expand Up @@ -45,5 +46,9 @@ def test_sampling_num_atoms(n_atoms):
def test_sampling_num_atoms(n_atoms, node, n_samples):
run_generator(n_atoms=n_atoms, node=node, n_samples=n_samples)

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

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