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removed structural prediction part
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dingquanyu committed Jan 31, 2024
1 parent dc63118 commit ad38407
Showing 1 changed file with 0 additions and 26 deletions.
26 changes: 0 additions & 26 deletions test/test_create_multimeric_template_features.py
Original file line number Diff line number Diff line change
Expand Up @@ -4,8 +4,6 @@
from alphapulldown.objects import MultimericObject
from alphafold.data.templates import _build_query_to_hit_index_mapping
from alphapulldown import multimeric_template_utils
from alphapulldown.utils import create_model_runners_and_random_seed
from alphapulldown.run_multimer_jobs import predict_individual_jobs
class TestMultimericTemplateFeatures(unittest.TestCase):
def setUp(self):
self.mmcif_file = "./test/test_data/true_multimer/3L4Q.cif"
Expand Down Expand Up @@ -43,30 +41,6 @@ def test_4_parse_instraction_file(self):
self.assertIsInstance(multimeric_template_meta, dict)
expected_dict = {"3L4Q_A":{"3L4Q.cif":"A"}, "3L4Q_C":{"3L4Q.cif":"C"}}
self.assertEqual(multimeric_template_meta,expected_dict)

def test_5_predict_model(self):
"""Test on the predicted model structure based on the multimeric template features"""
multimeric_template_meta = multimeric_template_utils.prepare_multimeric_template_meta_info(self.instruction_file,self.mmt_dir)
multimer_object = MultimericObject([self.monomer1, self.monomer2],multimeric_mode=True,
multimeric_template_meta_data=multimeric_template_meta,
multimeric_template_dir=self.mmt_dir)
model_runners, random_seed = create_model_runners_and_random_seed(
"multimer",
3,
42,
self.data_dir,
1,
False,
None,
None,
)
predict_individual_jobs(
multimer_object,
"./",
model_runners=model_runners,
random_seed=random_seed,
)


if __name__ == "__main__":
unittest.main()

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