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Chemical Data Processing Library C++ API - Version 1.1.1
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27 #ifndef CDPL_GRID_REGULARGRID_HPP
28 #define CDPL_GRID_REGULARGRID_HPP
45 template <
typename T,
typename CVT = T>
58 Math::RegularSpatialGrid<
T, CVT>(xs, ys, zs) {}
61 Math::RegularSpatialGrid<
T, CVT>(data, xs, ys, zs) {}
64 Math::RegularSpatialGrid<
T, CVT>(
s) {}
67 Math::RegularSpatialGrid<
T, CVT>(data,
s) {}
104 #endif // CDPL_GRID_REGULARGRID_HPP
SpatialGrid< T, CVT >::CoordinatesType CoordinatesType
Definition: RegularGrid.hpp:54
SizeType getSize() const
Definition: RegularSpatialGrid.hpp:184
const ValueType & operator()(std::size_t i) const
Definition: RegularGrid.hpp:78
const ExpressionType & operator()() const
Definition: Expression.hpp:125
std::size_t getNumElements() const
Definition: RegularGrid.hpp:83
Math::RegularSpatialGrid< T, CVT >::GridDataType GridDataType
Definition: RegularGrid.hpp:55
ValueType & operator()(std::size_t i)
Definition: RegularGrid.hpp:73
RegularGrid(const CoordinatesValueType &s)
Definition: RegularGrid.hpp:63
Definition of a regular spatial grid data type.
Definition of a spatial grid data type.
SpatialGrid< T, CVT >::ValueType ValueType
Definition: RegularGrid.hpp:52
void getCoordinates(SizeType i, V &coords) const
Definition: RegularSpatialGrid.hpp:279
Definition: RegularSpatialGrid.hpp:84
T ValueType
Definition: SpatialGrid.hpp:51
Definition: Vector.hpp:1053
SpatialGrid.
Definition: SpatialGrid.hpp:47
void getCoordinates(std::size_t i, CoordinatesType &coords) const
Definition: RegularGrid.hpp:88
RegularGrid(const GridDataType &data, const CoordinatesValueType &xs, const CoordinatesValueType &ys, const CoordinatesValueType &zs)
Definition: RegularGrid.hpp:60
const unsigned int T
Specifies Hydrogen (Tritium).
Definition: AtomType.hpp:67
const 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.
RegularGrid.
Definition: RegularGrid.hpp:48
std::shared_ptr< RegularGrid > SharedPointer
Definition: RegularGrid.hpp:51
RegularGrid(const CoordinatesValueType &xs, const CoordinatesValueType &ys, const CoordinatesValueType &zs)
Definition: RegularGrid.hpp:57
CVT CoordinatesValueType
Definition: SpatialGrid.hpp:52
RegularGrid(const GridDataType &data, const CoordinatesValueType &s)
Definition: RegularGrid.hpp:66
bool isEmpty() const
Definition: RegularSpatialGrid.hpp:388
bool isEmpty() const
Definition: RegularGrid.hpp:93
SpatialGrid< T, CVT >::CoordinatesValueType CoordinatesValueType
Definition: RegularGrid.hpp:53