Python Ligand.testing示例

示例#1

文件： ligand_tests.py 项目： medgbb/QUBEKit

def test_mol2_reader(test_input, expected):
    mol = Ligand("acetone.mol2")
    mol.testing = True
    assert getattr(mol, test_input) == expected

示例#2

文件： ligand_tests.py 项目： medgbb/QUBEKit

def test_smiles_reader(test_input, expected):
    mol = Ligand("CC(=O)C", "acetone")
    mol.testing = True
    assert getattr(mol, test_input) == expected

示例#3

def test_pdb_reader(test_input, expected):
    mol = Ligand('acetone.pdb')
    mol.testing = True
    assert getattr(mol, test_input) == expected