PBond.h

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/*
    LoopTK: Protein Loop Kinematic Toolkit
    Copyright (C) 2007 Stanford University

    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 2 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, write to the Free Software Foundation, Inc.,
    51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*/

#ifndef __P_BOND_H
#define __P_BOND_H

#include "PEnums.h"

class PBond {
 public:
  friend struct DOFCacher;

  PBond(PAtom *a1, PAtom *a2, bool isDOF) { 
    m_atom1 = a1; 
    m_atom2 = a2;
    m_isDOF = isDOF;
    m_forwardDirection = NULL;
    a1->m_bonds.push_back(this);
    a2->m_bonds.push_back(this);
 }


  Real getLength();

  void traverseChain(BondDirection dir, AtomFunctor *atomFn, BondFunctor *bondFn, PChain *rootChain);

  void traverseAtoms(BondDirection dir, AtomFunctor *atomFn, PChain *rootChain) {
    traverseChain(dir, atomFn, NULL, rootChain);
  }

  void traverseBonds(BondDirection dir, BondFunctor *bondFn, PChain *rootChain) {
    traverseChain(dir, NULL, bondFn, rootChain);
  }

  void Rotate(BondDirection dir, float degrees, PChain *chain);

  void Rotate(BondDirection dir, float degrees);

  PAtom *getAtom1() const { return m_atom1; }

  PAtom *getAtom2() const { return m_atom2; }

  PAtom *getAtom(BondDirection dir) const;

  bool isDOF() const { return m_isDOF; }

 private:

  /*
   * Sets the specified atom to be the
   * "forward" atom of this bond. (for DOFCacher)
   */
  void setDirection(PAtom *front) { m_forwardDirection = front; }

  PAtom *m_atom1;
  PAtom *m_atom2;
  PAtom *m_forwardDirection;
  bool m_isDOF;
};

#endif  // __P_BOND_H

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