Source code for molpher

"""
When this module is imported,
some actions are automatically
performed (see below).

"""

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)
load_SAScore(resource_filename('molpher.swig_wrappers', 'SAScore.dat'))