def test_asa_calculation_simple_hash(self): result = asa.calculate( atoms = ATOMS, indexer_selector = asa.get_hash_indexer_for, calculation = asa.simple_surface_calculation, ) self.asa_result_check( result = result )
def test_asa_calculation_simple_hash(self): result = asa.calculate( atoms=ATOMS, indexer_selector=asa.get_hash_indexer_for, calculation=asa.simple_surface_calculation, ) self.asa_result_check(result=result)
def test_asa_calculation_aa_hash(self): result = asa.calculate( atoms = ATOMS, indexer_selector = asa.get_hash_indexer_for, calculation = asa.altloc_averaged_calculation, ) self.asa_result_check( result = result )
def test_asa_calculation_aa_hash(self): result = asa.calculate( atoms=ATOMS, indexer_selector=asa.get_hash_indexer_for, calculation=asa.altloc_averaged_calculation, ) self.asa_result_check(result=result)