Source code for aquaduct

# -*- coding: utf-8 -*-

# Aqua-Duct, a tool facilitating analysis of the flow of solvent molecules in molecular dynamic simulations
# Copyright (C) 2016-2018  Tomasz Magdziarz, Alicja Płuciennik, Michał Stolarczyk <info@aquaduct.pl>
# Copyright (C) 2019  Tomasz Magdziarz, Michał Banas <info@aquaduct.pl>
#
# 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/>.

"""
Aqua-Duct - a collection of tools to trace residues in MD simulation.
"""

import logging

try:  # Python 2.7+
    from logging import NullHandler
except ImportError:
    class NullHandler(logging.Handler):
        def emit(self, record):
            pass

logger_name = __name__
logger = logging.getLogger(logger_name)
logger.addHandler(NullHandler())
logger.setLevel(logging.DEBUG)


[docs]def version(): """ Returns :mod:`aquaduct` version number. :return: 3 element tuple of int numbers :rtype: tuple """ return 1, 0, 10
[docs]def version_nice(): """ Returns :mod:`aquaduct` version number as nicely formatted string. :return: string composed on the basis of the number returned by :func:`version`. :rtype: str """ return '.'.join(map(str, version()))
__version__ = version_nice() __mail__ = 'info@aquaduct.pl' __author__ = 'Tomasz Magdziarz, Michał Banas, Alicja Płuciennik, Michał Stolarczyk' __author_doc__ = 'Tomasz Magdziarz, Karolina Mitusińska, Agata Raczyńska, Artur Góra'
[docs]def greetings(): """ Returns fancy greetings of :mod:`aquaduct`. It has a form of ASCII-like graphic. Currently it returns following string:: ------------------------------------------------ ~ ~ ~ A Q U A - D U C T ~ ~ ~ ################################################ #### ######## ######## #### =@ \%%/ (==) @= # ## ## # # ## ## # # ## ## # # ## ## # ------------------------------------------------ :return: :mod:`aquaduct` fancy greetings. :rtype: str """ greet = '''------------------------------------------------ ~ ~ ~ A Q U A - D U C T ~ ~ ~ ################################################ #### ######## ######## #### =@ \%%/ (==) @= # ## ## # # ## ## # # ## ## # # ## ## # ------------------------------------------------''' # C l a s s i c a l o r d e r # ------------------------------------------------''' return greet