Implement alternate and recommended way to set properties of abstract base class

See: https://github.com/lammps/lammps/security/code-scanning/476
This commit is contained in:
Axel Kohlmeyer
2022-09-26 21:01:22 -04:00
parent 7238a29cb7
commit 3e9dca3017
2 changed files with 9 additions and 11 deletions

View File

@ -4,12 +4,13 @@ import pickle
class MLIAPUnified(ABC):
"""Abstract base class for MLIAPUnified."""
def __init__(self):
self.interface = None
self.element_types = None
self.ndescriptors = None
self.nparams = None
self.rcutfac = None
def __init__(self, interface = None, element_types = None,
ndescriptors = None, nparams = None, rcutfac = None):
self.interface = interface
self.element_types = element_types
self.ndescriptors = ndescriptors
self.nparams = nparams
self.rcutfac = rcutfac
@abstractmethod
def compute_gradients(self, data):