diff --git a/autopeptideml/data/h_param_search/linreg_reg.yml b/autopeptideml/data/h_param_search/linreg_reg.yml new file mode 100644 index 0000000..72f911d --- /dev/null +++ b/autopeptideml/data/h_param_search/linreg_reg.yml @@ -0,0 +1,3 @@ +tol: + type: fixed + value: 1e-4 diff --git a/autopeptideml/reps/fps.py b/autopeptideml/reps/fps.py index 519e328..82ef750 100644 --- a/autopeptideml/reps/fps.py +++ b/autopeptideml/reps/fps.py @@ -76,8 +76,8 @@ def __init__(self, rep: str, nbits: int, radius: int): :rtype: None """ super().__init__(rep, nbits=nbits, radius=radius) - self.nbits = nbits - self.radius = radius + self.nbits = nbits if isinstance(nbits, int) else int(nbits) + self.radius = radius if isinstance(radius, int) else int(radius) self.name = f'{self.engine}-{rep}-{self.nbits}-{self.radius}' self.count = 'count' in rep if self.count: