27 #ifndef CDPL_GRID_REGULARGRID_HPP
28 #define CDPL_GRID_REGULARGRID_HPP
45 template <
typename T,
typename CVT = T>
Definition of a regular spatial grid data type.
Definition of a spatial grid data type.
RegularGrid.
Definition: RegularGrid.hpp:48
Math::RegularSpatialGrid< T, CVT >::GridDataType GridDataType
Definition: RegularGrid.hpp:55
RegularGrid(const GridDataType &data, const CoordinatesValueType &xs, const CoordinatesValueType &ys, const CoordinatesValueType &zs)
Definition: RegularGrid.hpp:60
ValueType & operator()(std::size_t i)
Definition: RegularGrid.hpp:73
SpatialGrid< T, CVT >::CoordinatesType CoordinatesType
Definition: RegularGrid.hpp:54
bool isEmpty() const
Definition: RegularGrid.hpp:93
std::shared_ptr< RegularGrid > SharedPointer
Definition: RegularGrid.hpp:51
RegularGrid(const GridDataType &data, const CoordinatesValueType &s)
Definition: RegularGrid.hpp:66
void getCoordinates(std::size_t i, CoordinatesType &coords) const
Definition: RegularGrid.hpp:88
RegularGrid(const CoordinatesValueType &xs, const CoordinatesValueType &ys, const CoordinatesValueType &zs)
Definition: RegularGrid.hpp:57
SpatialGrid< T, CVT >::ValueType ValueType
Definition: RegularGrid.hpp:52
std::size_t getNumElements() const
Definition: RegularGrid.hpp:83
const ValueType & operator()(std::size_t i) const
Definition: RegularGrid.hpp:78
RegularGrid(const CoordinatesValueType &s)
Definition: RegularGrid.hpp:63
SpatialGrid< T, CVT >::CoordinatesValueType CoordinatesValueType
Definition: RegularGrid.hpp:53
SpatialGrid.
Definition: SpatialGrid.hpp:47
T ValueType
Definition: SpatialGrid.hpp:51
CVT CoordinatesValueType
Definition: SpatialGrid.hpp:52
Definition: Vector.hpp:1053
const ExpressionType & operator()() const
Definition: Expression.hpp:125
Definition: RegularSpatialGrid.hpp:83
bool isEmpty() const
Definition: RegularSpatialGrid.hpp:387
RegularSpatialGrid(const CoordinatesValueType &xs, const CoordinatesValueType &ys, const CoordinatesValueType &zs)
Definition: RegularSpatialGrid.hpp:111
SizeType getSize() const
Definition: RegularSpatialGrid.hpp:183
GD GridDataType
Definition: RegularSpatialGrid.hpp:97
void getCoordinates(SizeType i, V &coords) const
Definition: RegularSpatialGrid.hpp:278
constexpr unsigned int T
Specifies Hydrogen (Tritium).
Definition: AtomType.hpp:67
constexpr unsigned int s
Specifies that the stereocenter has s configuration.
Definition: CIPDescriptor.hpp:81
RegularGrid< double > DRegularGrid
Definition: DRegularGridReader.hpp:42
RegularGrid< float > FRegularGrid
Definition: RegularGrid.hpp:99
The namespace of the Chemical Data Processing Library.