from __future__ import annotations import os import tempfile from unittest.mock import patch import pytest from PIL import Image from app.modules.decimer import convert_image from app.modules.decimer import get_predicted_segments from app.modules.decimer import get_predicted_segments_from_file from app.modules.decimer import get_segments # Define a directory for temporary test files TEST_FILES_DIR = "tests" @pytest.fixture(scope="module") def sample_gif_path(): return os.path.join(TEST_FILES_DIR, "segment_sample.gif") @pytest.fixture(scope="module") def sample_png_path(): return os.path.join(TEST_FILES_DIR, "segment_sample.png") @pytest.fixture(scope="module") def sample_image_path(): return os.path.join(TEST_FILES_DIR, "segment_sample.png") @pytest.fixture(scope="module") def small_image_path(): """Small image (400x300) - should trigger direct prediction""" return os.path.join(TEST_FILES_DIR, "small_molecule.png") @pytest.fixture(scope="module") def tiny_image_path(): """Tiny image (200x150) - should trigger direct prediction""" return os.path.join(TEST_FILES_DIR, "tiny_molecule.png") @pytest.fixture(scope="module") def caffeine_image_path(): """Caffeine image for testing""" return os.path.join(TEST_FILES_DIR, "caffeine.png") # Test the convert_image function def test_convert_image(sample_gif_path, sample_png_path): converted_path = convert_image(sample_gif_path) assert os.path.isfile(converted_path) assert converted_path == sample_png_path # Clean up the converted file if os.path.exists(converted_path): os.remove(converted_path) # Test the get_segments function with GIF def test_get_segments_gif(sample_gif_path): image_name, segments = get_segments(sample_gif_path) assert image_name == "segment_sample.gif" assert isinstance(segments, list) # Test the get_segments function with PNG def test_get_segments_png(sample_png_path): image_name, segments = get_segments(sample_png_path) assert image_name == "segment_sample.png" assert isinstance(segments, list) # Test the get_predicted_segments function @patch("app.modules.decimer.predict_SMILES") def test_get_predicted_segments(mock_predict_smiles, sample_png_path): mock_predict_smiles.return_value = "CCO" predicted_smiles = get_predicted_segments(sample_png_path) assert isinstance(predicted_smiles, str) assert len(predicted_smiles) > 0 # Test get_predicted_segments_from_file with large image (should use segmentation) @patch("app.modules.decimer.get_predicted_segments") def test_get_predicted_segments_from_file_large_image( mock_get_predicted_segments, caffeine_image_path ): """Test that large images (>=500 pixels) use segmentation approach""" mock_get_predicted_segments.return_value = "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" with open(caffeine_image_path, "rb") as f: content = f.read() predicted_smiles = get_predicted_segments_from_file(content, "test_large.png") assert isinstance(predicted_smiles, str) assert len(predicted_smiles) > 0 mock_get_predicted_segments.assert_called_once() # Test get_predicted_segments_from_file with small image (should use direct prediction) @patch("app.modules.decimer.predict_SMILES") def test_get_predicted_segments_from_file_small_image( mock_predict_smiles, small_image_path ): """Test that small images (<500 pixels) use direct prediction""" mock_predict_smiles.return_value = "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" with open(small_image_path, "rb") as f: content = f.read() predicted_smiles = get_predicted_segments_from_file(content, "test_small.png") assert isinstance(predicted_smiles, str) assert len(predicted_smiles) > 0 mock_predict_smiles.assert_called_once() # Test get_predicted_segments_from_file with tiny image (should use direct prediction) @patch("app.modules.decimer.predict_SMILES") def test_get_predicted_segments_from_file_tiny_image( mock_predict_smiles, tiny_image_path ): """Test that tiny images (<500 pixels) use direct prediction""" mock_predict_smiles.return_value = "C1CCC1" with open(tiny_image_path, "rb") as f: content = f.read() predicted_smiles = get_predicted_segments_from_file(content, "test_tiny.png") assert isinstance(predicted_smiles, str) assert len(predicted_smiles) > 0 mock_predict_smiles.assert_called_once() # Test error handling in get_predicted_segments_from_file def test_get_predicted_segments_from_file_cleanup(): """Test that temporary files are always cleaned up, even on errors""" test_content = b"invalid image content" test_filename = "test_cleanup.png" # This should fail but still clean up the file try: get_predicted_segments_from_file(test_content, test_filename) except Exception: pass # Expected to fail with invalid image content # File should not exist after function completes assert not os.path.exists(test_filename) # Test image size detection logic def test_image_size_detection(): """Test that the image size detection works correctly""" # Create temporary images with known sizes with tempfile.NamedTemporaryFile( suffix=".png", delete=False ) as tmp_large, tempfile.NamedTemporaryFile( suffix=".png", delete=False ) as tmp_small: try: # Create large image (600x600) large_img = Image.new("RGB", (600, 600), "white") large_img.save(tmp_large.name) # Create small image (300x300) small_img = Image.new("RGB", (300, 300), "white") small_img.save(tmp_small.name) # Test with large image content with open(tmp_large.name, "rb") as f: large_content = f.read() # Test with small image content with open(tmp_small.name, "rb") as f: small_content = f.read() # Mock the prediction functions to verify which path is taken with patch("app.modules.decimer.predict_SMILES") as mock_direct, patch( "app.modules.decimer.get_predicted_segments" ) as mock_segment: mock_direct.return_value = "direct_prediction" mock_segment.return_value = "segmented_prediction" # Test large image uses segmentation result_large = get_predicted_segments_from_file( large_content, "test_large_600x600.png" ) assert result_large == "segmented_prediction" mock_segment.assert_called() mock_direct.assert_not_called() # Reset mocks mock_direct.reset_mock() mock_segment.reset_mock() # Test small image uses direct prediction result_small = get_predicted_segments_from_file( small_content, "test_small_300x300.png" ) assert result_small == "direct_prediction" mock_direct.assert_called() mock_segment.assert_not_called() finally: # Clean up temporary files for tmp_file in [tmp_large.name, tmp_small.name]: if os.path.exists(tmp_file): os.remove(tmp_file)