Source code for alchemtest.generic.access

"""Accessors for generic datasets.

"""

from os.path import dirname, join
from glob import glob

from .. import Bunch



[docs] def load_MBAR_BGFS(): """Load data set that will fail the MBAR adaptive solver but could done by BGFS. Returns ------- data: Bunch Dictionary-like object, the interesting attributes are: - 'data' : the data files for u_nk and N_k """ module_path = dirname(__file__) data = {'u_nk': join(module_path, 'BFGS/u_nk.npy'), 'N_k': join(module_path, 'BFGS/N_k.npy'),} with open(join(module_path, 'BFGS', 'descr.rst')) as rst_file: fdescr = rst_file.read() return Bunch(data=data, DESCR=fdescr)