Changes in src/molecule.hpp [e39e7a:5be798]

File:

• src/molecule.hpp (modified) (4 diffs)

src/molecule.hpp

@@ -22 +22 @@
 
 #include <string>
-
-#include <boost/bimap/bimap.hpp>
-#include <boost/bimap/unordered_set_of.hpp>
-#include <boost/bimap/multiset_of.hpp>
-#include <boost/optional.hpp>
-#include <boost/shared_ptr.hpp>
 
 #include "AtomIdSet.hpp"
@@ -121 +115 @@
     MoleculeNameChanged,
     IndexChanged,
-    BoundingBoxChanged,
     AboutToBeRemoved,
     NotificationType_MAX
@@ -245 +238 @@
   bool changeAtomNr(int oldNr, int newNr, atom* target=0);
 
-  friend bool atom::changeId(atomId_t newId);
-  /**
-   * used when changing an ParticleInfo::Id.
-   * Note that this number is global (and the molecule uses it to know which atoms belong to it)
-   *
-   * @param oldId old Id
-   * @param newId new Id to set
-   * @return indicates wether the change could be done or not.
-   */
-  bool changeAtomId(int oldId, int newId);
-
   /** Updates the internal lookup fro local to global indices.
    *
@@ -278 +260 @@
 
 public:
-
-  /** Structure for the required information on the bounding box.
-   *
-   */
-  struct BoundingBoxInfo {
-    //!> position of center
-    Vector position;
-    //!> radius of sphere
-    double radius;
-
-    /** Equivalence operator for bounding box.
-     *
-     * \return true - both bounding boxes have same position and radius
-     */
-    bool operator==(const BoundingBoxInfo &_other) const
-    {  return (radius == _other.radius) && (position == _other.position); }
-
-    /** Inequivalence operator for bounding box.
-     *
-     * \return true - bounding boxes have either different positions or different radii or both
-     */
-    bool operator!=(const BoundingBoxInfo &_other) const
-    { return !(*this == _other); }
-  };
-
-private:
-
-  /** Returns the current bounding box.
-   *
-   * \return Shape with center and extension of box
-   */
-  BoundingBoxInfo updateBoundingBox() const;
-
-  // stuff for keeping bounding box up-to-date efficiently
-
-  //!> Cacheable for the bounding box, ptr such that
-  boost::shared_ptr< Cacheable<BoundingBoxInfo> > BoundingBox;
-  /** Bimap storing atomic ids and the component per axis.
-   *
-   * We need a bimap in order to have the components sorted and be able to
-   * access max and min values in linear time and also access the ids in
-   * constant time in order to update the map, when atoms move, are inserted,
-   * or removed.
-   */
-  typedef boost::bimaps::bimap<
-          boost::bimaps::unordered_set_of< atomId_t >,
-          boost::bimaps::multiset_of< double, std::greater<double> >
-      > AtomDistanceMap_t;
-  std::vector<AtomDistanceMap_t> BoundingBoxSweepingAxis;
-
-public:
-
-  /** Returns the current bounding box of this molecule.
-   *
-   * \return bounding box info with center and radius
-   */
-  BoundingBoxInfo getBoundingBox() const;
 
   /** Function to create a bounding spherical shape for the currently associated atoms.