"""
When this module is imported,
some actions are automatically
performed (see below).
"""
# Copyright (c) 2016 Martin Sicho
#
# This program is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
from pkg_resources import resource_filename
import molpher.swig_wrappers.core as wrappers
[docs]def load_SAScore(path):
"""
Loads the data file used for the computation of the syntetic feasibility scores.
This is performed automatically when the :py:mod:`molpher` package is imported.
Use it only if you want to use a data file different from the dafault one.
:param path: path to the `SAScore.dat` file
:type path: :py:class:`str`
:return: :py:obj:`None`
"""
print("Loading data from:", path)
wrappers.load_data_from(path)
print("Initializing Molpher...")
load_SAScore(resource_filename('molpher.swig_wrappers', 'SAScore.dat'))
print("Molpher initialized.")