PBlock.h

Go to the documentation of this file.

/*
    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_BLOCK_H
#define __P_BLOCK_H

#include "PBlockShell.h"
#include "PEnums.h"

class PBlockReconnector;

class PBlock {
 public:
  friend class PBlockConnection;  /* Needed so blocks can be connected together. */
  friend class PBlockReconnector; /* Needed for detached blocks to be reconnected. */
  
  PBlock(PResidue *myRes, const string &shellName);

  PBlock(PResidue *myRes, const string &shellName, const PAtomPositionsSpec &spec);

  PBlock(PResidue *myRes, const string &shellName, const PAtomPositionsSpec &spec, PBlock *toConnect);

  PBlock(PResidue *myRes, const string &shellName, PBlock *toConnect);

  ~PBlock();

  string getName() const {return m_shell->getName(); }

  string getType() const {return m_shell->getType(); }

  bool isOn() const { return m_isOn; }

  PResidue *getParentResidue() { return m_residue; }

  int size() { return m_atoms.size(); }

  PChain* getChain() const;
  
  void Detach(const string &blockType);

  void Reattach();

  bool InStaticCollision() const;

  bool InSelfCollision() const;

  bool InAnyCollision() const;
  
  pair<PAtom *, PAtom *> FindStaticCollision() const;

  pair<PAtom *, PAtom *> FindSelfCollision() const;

  pair<PAtom *, PAtom *> FindAnyCollision() const;

  AtomCollisions* getAllCollidingStatic() const;

  AtomCollisions* getAllCollidingSelf() const;

  AtomCollisions* getAllCollidingEither() const;

  void AddAtomsToMap(HASH_MAP_STR(PAtom *) &atomCache) const;

  const PSpaceManager* getSpaceManager() const;
 private:

  void CreateBlock(PResidue *myRes, const PAtomPositionsSpec &spec);
  void ActivateAndDestroyReattachment();
  void ApplyTransform(Matrix4 transform);


  PBlockShell *m_shell;
  PResidue *m_residue; 
  HASH_MAP_STR(PAtom *) m_atoms; //atom Id's to the respective atom

  /* Collision detection helper methods. */

  bool InCollision(CollisionType type) const;
  pair<PAtom *, PAtom *> FindCollision(CollisionType type) const;
  AtomCollisions* getAllColliding(CollisionType type) const;

  //prepared by finalize()
  vector<PBond *> m_dofs;


  //selective manipulation data members:
  bool m_isOn;
  vector<PBlock *> m_connectedBlocks;
  PBlockReconnector *m_blockReconnector;

  
  //selective manipulation helper functions
  PBlock *FindFirstBlockOfType(const string &blockType);
  void TraverseBlocks(PBlock *from, void (*ManipulateBlockFunc)(PBlock *block, PBlock *from), bool skipOffBlocks);
  static void DeactivateBlock(PBlock *block, PBlock *from);
  static void ActivateBlock(PBlock *block, PBlock *from);
  static void ReattachBlock(PBlock *block, PBlock *from);
};

#endif  // __P_BLOCK_H

---