/*!
\file improper.h
\brief Container for improper information
\author Martin Peters
$Date: 2008/02/28 14:06:06 $
$Revision: 1.5 $
----------------------------------------------------------------------------
MTK++ - C++ package of modeling libraries.
Copyright (C) 2005-2006 (see AUTHORS file for a list of contributors)
This file is part of MTK++.
MTK++ is free software; you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
MTK++ 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 Lessser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License
along with this program. If not, see .
----------------------------------------------------------------------------
*/
#ifndef IMPROPER_h
#define IMPROPER_h
#include
#include
#include
#include
namespace MTKpp
{
class atom;
struct improperParam;
// ============================================================
// Struct : Improper
// ------------------------------------------------------------
/*!
\struct Improper
\brief Container for Improper info
\author Martin Peters
\date 2005
*/
// ============================================================
struct Improper
{
//! First Atom in Improper
atom* atom1;
//! Second Atom in Improper
atom* atom2;
//! Third Atom in Improper
atom* atom3;
//! Fourth Atom in Improper
atom* atom4;
//! Size of Improper
double size;
//! Parameters assigned
bool parametersAssigned;
//! Vector of Improper Parameters
std::vector pImproperParamList;
};
} // MTKpp namespace
#endif // IMPROPER_h