"""Accessors for GOMC datasets.
"""
from os.path import dirname, join
from glob import glob
from .. import Bunch
[docs]
def load_benzene():
"""Load the GOMC benzene dataset.
Returns
-------
data : Bunch
Dictionary-like object, the interesting attributes are:
- 'data' : the data files by alchemical leg
- 'DESCR': the full description of the dataset
"""
module_path = dirname(__file__)
data = sorted(glob(join(module_path, 'benzene', 'inWater', 'Free_Energy_BOX_0_PRODUCTION_*.dat.bz2')))
with open(join(module_path, 'benzene', 'descr.rst')) as rst_file:
fdescr = rst_file.read()
return Bunch(data=data,
DESCR=fdescr)