27 #ifndef CDPL_MATH_GRIDASSIGNMENT_HPP
28 #define CDPL_MATH_GRIDASSIGNMENT_HPP
54 template <
template <
typename T1,
typename T2>
class F,
typename G,
typename E>
63 typedef F<typename G::Reference, typename E::ValueType> FunctorType;
65 for (SizeType i = 0; i < size1; i++)
66 for (SizeType j = 0; j < size2; j++)
67 for (SizeType k = 0; k < size3; k++)
68 FunctorType::apply(g(i, j, k), e()(i, j, k));
79 template <
template <
typename T1,
typename T2>
class F,
typename G,
typename T>
82 typedef F<typename G::Reference, T> FunctorType;
83 typedef typename G::SizeType SizeType;
85 SizeType size1 = g.getSize1();
86 SizeType size2 = g.getSize2();
87 SizeType size3 = g.getSize3();
89 for (SizeType i = 0; i < size1; i++)
90 for (SizeType j = 0; j < size2; j++)
91 for (SizeType k = 0; k < size3; k++)
92 FunctorType::apply(g(i, j, k), t);
103 template <
typename G,
typename E>
112 for (SizeType i = 0; i < size1; i++)
113 for (SizeType j = 0; j < size2; j++)
114 for (SizeType k = 0; k < size3; k++)
115 std::swap(g(i, j, k), e()(i, j, k));
Definition of exception classes.
Definition of various preprocessor macros for error checking.
#define CDPL_MATH_CHECK_SIZE_EQUALITY(size1, size2, e)
Throws the exception e if size1 differs from size2, otherwise returns std::min(size1,...
Definition: Check.hpp:84
Thrown to indicate that the size of a (multidimensional) array is not correct.
Definition: Base/Exceptions.hpp:133
CRTP base class for all grid expression types.
Definition: Expression.hpp:180
constexpr unsigned int T
Specifies Hydrogen (Tritium).
Definition: AtomType.hpp:67
constexpr unsigned int F
Specifies Fluorine.
Definition: AtomType.hpp:107
constexpr unsigned int E
Specifies that the stereocenter has E configuration.
Definition: CIPDescriptor.hpp:96
void gridAssignScalar(G &g, const T &t)
Applies the element-wise functor F to every (grid cell, scalar) pair, i.e. F::apply(g(i,...
Definition: GridAssignment.hpp:80
void gridAssignGrid(G &g, const GridExpression< E > &e)
Applies the element-wise functor F to every (grid cell, source cell) pair, i.e. F::apply(g(i,...
Definition: GridAssignment.hpp:55
void gridSwap(G &g, GridExpression< E > &e)
Swaps the cells of two equally sized grid expressions cell by cell.
Definition: GridAssignment.hpp:104
The namespace of the Chemical Data Processing Library.
std::common_type< T1, T2 >::type Type
The common type.
Definition: CommonType.hpp:49