#!/usr/local/bin/env python

#=============================================================================================
# MODULE DOCSTRING
#=============================================================================================

"""
Tools for molecular mechanics system preparation.

DESCRIPTION

This module provides tools for aiding in the preparation of molecular mechanics systems using
auxiliary tools, such as AmberTools.

Eventually, internal versions of these tools will be constructed that duplicate functionality
in a self-consistent way.

COPYRIGHT AND LICENSE

@author John D. Chodera <jchodera@gmail.com>

All code in this repository is released under the GNU General Public License.

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/>.

"""

#=============================================================================================
# GLOBAL IMPORTS
#=============================================================================================

import os
import math
import numpy
import copy
import time

import simtk.chem.openmm as openmm
import simtk.unit as units

#=============================================================================================
# REVISION CONTROL
#=============================================================================================

__version__ = "$Revision$" # TODO: Fix me for svn.

#=============================================================================================
# MODULE CONSTANTS
#=============================================================================================


#=============================================================================================
# MAIN AND TESTS
#=============================================================================================

if __name__ == "__main__":    
    import doctest
    doctest.testmod()