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Chore(pt): fix warning in test_training #4245

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Chore(pt): fix warning in test_training #4245

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75e89c8
Chore(pt): fix warning in `test_training`
iProzd Oct 23, 2024
17dafea
Update test_training.py
iProzd Oct 23, 2024
ce0d33d
delete dataloader after training
iProzd Oct 26, 2024
d85fe6d
also delete validation_dataloader
njzjz Oct 26, 2024
9f69bb1
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 26, 2024
c92befa
make delete a func
iProzd Nov 5, 2024
225f99e
Merge branch 'devel' into fix_no_file_ut
iProzd Nov 5, 2024
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14 changes: 11 additions & 3 deletions source/tests/pt/test_training.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
import json
import os
import shutil
import tempfile
import unittest
from copy import (
deepcopy,
Expand Down Expand Up @@ -195,18 +196,25 @@ def setUp(self):
input_json = str(Path(__file__).parent / "water/se_atten.json")
with open(input_json) as f:
self.config = json.load(f)
data_file = [str(Path(__file__).parent / "water/data/data_0")]
self.original_data_path = Path(__file__).parent / "water/data/data_0"
# Create a temporary directory for this test
self.temp_dir = Path(tempfile.mkdtemp())
self.temp_data_path = self.temp_dir / "data_0"
shutil.copytree(self.original_data_path, self.temp_data_path)

data_file = [str(self.temp_data_path)]
self.config["training"]["training_data"]["systems"] = data_file
self.config["training"]["validation_data"]["systems"] = data_file
self.config["model"] = deepcopy(model_se_e2_a)
self.config["model"]["fitting_net"]["numb_fparam"] = 1
self.config["training"]["numb_steps"] = 1
self.config["training"]["save_freq"] = 1
self.set_path = Path(__file__).parent / "water/data/data_0" / "set.000"
self.set_path = self.temp_data_path / "set.000"
shutil.copyfile(self.set_path / "energy.npy", self.set_path / "fparam.npy")

def tearDown(self) -> None:
(self.set_path / "fparam.npy").unlink(missing_ok=True)
# Remove the temporary directory and all its contents
shutil.rmtree(self.temp_dir)
DPTrainTest.tearDown(self)


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