diff --git a/src/chembalancer/chembalancer.py b/src/chembalancer/chembalancer.py index 527d533..657d00e 100644 --- a/src/chembalancer/chembalancer.py +++ b/src/chembalancer/chembalancer.py @@ -1,28 +1,3 @@ -"""Example module to get you started.""" - - -def hello_smiles(smiles: str) -> str: - """ - Return a greeting string that incorporates the given smiles. - - Parameters - ---------- - smiles : str - A text string representing a SMILES (Simplified - Molecular Input Line Entry System) notation or any string. - - Returns - ------- - str - A greeting message incorporating the input smiles. - - Examples - -------- - >>> hello_smiles("C(=O)O") - 'Hello, C(=O)O!' - """ - return f"Hello, {smiles}!" - if __name__ == "__main__": print(hello_smiles("C(=O)O")) diff --git a/tests/test_example_module.py b/tests/test_example_module.py index f05fd1c..e69de29 100644 --- a/tests/test_example_module.py +++ b/tests/test_example_module.py @@ -1,16 +0,0 @@ -import sys -import os - -try: - current_dir = os.path.dirname(os.path.abspath(__file__)) -except NameError: - current_dir = os.path.dirname(os.path.abspath(sys.argv[0])) -src_path = os.path.join(current_dir, '..', 'src') -sys.path.insert(0, src_path) - -from chembalancer.chembalancer import test_hello_smiles - - -# Test the function -def test_hello_smiles(): - assert hello_smiles("C(=O)O") == "Hello, C(=O)O!", "Test failed: SMILES input"