Rosetta 3.4
Public Types | Public Member Functions
core::grid::CartGrid< T > Class Template Reference

#include <CartGrid.hh>

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List of all members.

Public Types

typedef numeric::xyzVector< intGridPt

Public Member Functions

 CartGrid ()
virtual ~CartGrid ()
void setBase (core::Real x, core::Real y, core::Real z)
void setDimensions (int nX, int nY, int nZ, core::Real lX, core::Real lY, core::Real lZ)
void set_name (std::string const &name)
std::string get_name () const
int longestSide () const
bool equalDimensions (CartGrid< T > const &rhs) const
bool equalBase (CartGrid< T > const &rhs) const
bool is_in_grid (core::Real x, core::Real y, core::Real z) const
bool setupZones ()
void translate (core::Real x, core::Real y, core::Real z)
bool setValue (int ix, int iy, int iz, T value)
bool setValue (core::Real fx, core::Real fy, core::Real fz, T value)
getValue (int ix, int iy, int iz) const
getValue (core::Real fx, core::Real fy, core::Real fz) const
void zero ()
void setFullOccupied (T value)
void clone (CartGrid< T > &copy) const
void reset_boundaries ()
void fluff (utility::pointer::owning_ptr< CartGrid< T > > input, utility::pointer::owning_ptr< CartGrid< T > > original, int amount=6)
void read (std::string const &filename)
void write (std::string const &filename) const
bool isFullyOccupied () const
bool isEmpty () const
void sum (utility::vector0< utility::pointer::owning_ptr< CartGrid< T > > > const &list_grids)
void expand (int expansion)
void split (int nsplits, int igrid, core::Real pad, utility::pointer::owning_ptr< CartGrid< T > > grid)
core::Vector getBase () const
core::Vector getTop () const
void getNumberOfPoints (int &x, int &y, int &z) const
GridPt gridpt (Vector const &coords) const
Vector coords (GridPt const &gridpt) const
getValue (GridPt const &gridpt) const
getValue (Vector const &coords) const
getMinValue () const
getMaxValue () const
void setValue (GridPt const &gridpt, T value)
void setValue (Vector const &coords, T value)
void write_to_BRIX (std::string const &filename)
void write_to_BRIX (std::ostream &out)

template<typename T>
class core::grid::CartGrid< T >


Member Typedef Documentation

template<typename T>
typedef numeric::xyzVector< int > core::grid::CartGrid< T >::GridPt

Constructor & Destructor Documentation

template<typename T>
core::grid::CartGrid< T >::CartGrid ( ) [inline]
template<typename T>
virtual core::grid::CartGrid< T >::~CartGrid ( ) [inline, virtual]

Member Function Documentation

template<typename T>
void core::grid::CartGrid< T >::clone ( CartGrid< T > &  copy) const [inline]
template<typename T>
Vector core::grid::CartGrid< T >::coords ( GridPt const &  gridpt) const [inline]
template<typename T>
bool core::grid::CartGrid< T >::equalBase ( CartGrid< T > const &  rhs) const [inline]
template<typename T>
bool core::grid::CartGrid< T >::equalDimensions ( CartGrid< T > const &  rhs) const [inline]
template<typename T>
void core::grid::CartGrid< T >::expand ( int  expansion) [inline]
template<typename T>
void core::grid::CartGrid< T >::fluff ( utility::pointer::owning_ptr< CartGrid< T > >  input,
utility::pointer::owning_ptr< CartGrid< T > >  original,
int  amount = 6 
) [inline]
template<typename T>
std::string core::grid::CartGrid< T >::get_name ( ) const [inline]
template<typename T>
core::Vector core::grid::CartGrid< T >::getBase ( ) const [inline]
template<typename T>
T core::grid::CartGrid< T >::getMaxValue ( ) const [inline]
template<typename T>
T core::grid::CartGrid< T >::getMinValue ( ) const [inline]
template<typename T>
void core::grid::CartGrid< T >::getNumberOfPoints ( int x,
int y,
int z 
) const [inline]
template<typename T>
core::Vector core::grid::CartGrid< T >::getTop ( ) const [inline]
template<typename T>
T core::grid::CartGrid< T >::getValue ( Vector const &  coords) const [inline]
template<typename T>
T core::grid::CartGrid< T >::getValue ( GridPt const &  gridpt) const [inline]
template<typename T>
T core::grid::CartGrid< T >::getValue ( int  ix,
int  iy,
int  iz 
) const [inline]
template<typename T>
T core::grid::CartGrid< T >::getValue ( core::Real  fx,
core::Real  fy,
core::Real  fz 
) const [inline]
template<typename T>
GridPt core::grid::CartGrid< T >::gridpt ( Vector const &  coords) const [inline]
template<typename T>
bool core::grid::CartGrid< T >::is_in_grid ( core::Real  x,
core::Real  y,
core::Real  z 
) const [inline]
template<typename T>
bool core::grid::CartGrid< T >::isEmpty ( ) const [inline]
template<typename T>
bool core::grid::CartGrid< T >::isFullyOccupied ( ) const [inline]
template<typename T>
int core::grid::CartGrid< T >::longestSide ( ) const [inline]
template<typename T>
void core::grid::CartGrid< T >::read ( std::string const &  filename) [inline]
template<typename T>
void core::grid::CartGrid< T >::reset_boundaries ( ) [inline]
template<typename T>
void core::grid::CartGrid< T >::set_name ( std::string const &  name) [inline]
template<typename T>
void core::grid::CartGrid< T >::setBase ( core::Real  x,
core::Real  y,
core::Real  z 
) [inline]
template<typename T>
void core::grid::CartGrid< T >::setDimensions ( int  nX,
int  nY,
int  nZ,
core::Real  lX,
core::Real  lY,
core::Real  lZ 
) [inline]
template<typename T>
void core::grid::CartGrid< T >::setFullOccupied ( value) [inline]
template<typename T>
bool core::grid::CartGrid< T >::setupZones ( ) [inline]
template<typename T>
void core::grid::CartGrid< T >::setValue ( GridPt const &  gridpt,
value 
) [inline]
template<typename T>
bool core::grid::CartGrid< T >::setValue ( int  ix,
int  iy,
int  iz,
value 
) [inline]
template<typename T>
void core::grid::CartGrid< T >::setValue ( Vector const &  coords,
value 
) [inline]
template<typename T>
bool core::grid::CartGrid< T >::setValue ( core::Real  fx,
core::Real  fy,
core::Real  fz,
value 
) [inline]
template<typename T>
void core::grid::CartGrid< T >::split ( int  nsplits,
int  igrid,
core::Real  pad,
utility::pointer::owning_ptr< CartGrid< T > >  grid 
) [inline]
template<typename T>
void core::grid::CartGrid< T >::sum ( utility::vector0< utility::pointer::owning_ptr< CartGrid< T > > > const &  list_grids) [inline]
template<typename T>
void core::grid::CartGrid< T >::translate ( core::Real  x,
core::Real  y,
core::Real  z 
) [inline]
template<typename T>
void core::grid::CartGrid< T >::write ( std::string const &  filename) const [inline]
template<typename T>
void core::grid::CartGrid< T >::write_to_BRIX ( std::ostream &  out) [inline]
template<typename T>
void core::grid::CartGrid< T >::write_to_BRIX ( std::string const &  filename) [inline]

This format was choosen because it's space-efficient for small integer values (such as are typically stored in grids) and PyMOL can read it. Typical extension is .brix or .omap

Referenced by protocols::qsar::scoring_grid::GridBase::dump_BRIX(), and core::grid::CartGrid< core::Real >::write_to_BRIX().

template<typename T>
void core::grid::CartGrid< T >::zero ( ) [inline]

The documentation for this class was generated from the following file:
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