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sth #11

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May 26, 2024
Merged

sth #11

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25 changes: 0 additions & 25 deletions src/chembalancer/chembalancer.py
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Original file line number Diff line number Diff line change
@@ -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"))
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16 changes: 0 additions & 16 deletions tests/test_example_module.py
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Original file line number Diff line number Diff line change
@@ -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"
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