Pscf::Pspc::KFieldComparison< D > Class Template Reference

Comparator for RFieldDft (k-grid) arrays. More...

#include <KFieldComparison.h>

Public Member Functions
	KFieldComparison ()
	Default constructor. More...
double	compare (RFieldDft< D > const &a, RFieldDft< D > const &b)
	Compare individual fields. More...
double	compare (DArray< RFieldDft< D > > const &a, DArray< RFieldDft< D > > const &b)
	Compare arrays of fields associated with different monomer types. More...
double	maxDiff () const
	Return the precomputed maximum element-by-element difference. More...
double	rmsDiff () const
	Return the precomputed root-mean-squared difference. More...

Detailed Description

template<int D>
class Pscf::Pspc::KFieldComparison< D >

Comparator for RFieldDft (k-grid) arrays.

Definition at line 25 of file pspc/field/KFieldComparison.h.

Constructor & Destructor Documentation

KFieldComparison()

template<int D>

Pscf::Pspc::KFieldComparison< D >::KFieldComparison

Default constructor.

Initializes maxDiff and rmsDiff to zero.

Definition at line 19 of file pspc/field/KFieldComparison.tpp.

Member Function Documentation

compare() [1/2]

template<int D>

double Pscf::Pspc::KFieldComparison< D >::compare	(	RFieldDft< D > const &	a,
		RFieldDft< D > const &	b
	)

Compare individual fields.

Array dimensions must agree. An Exception is thrown if the capacities of fields a and b are not equal.

Parameters

a	1st field
b	2nd field

Returns

maximum element-by-element difference (maxDiff)

Definition at line 26 of file pspc/field/KFieldComparison.tpp.

References Util::Array< Data >::capacity(), and UTIL_CHECK.

compare() [2/2]

template<int D>

double Pscf::Pspc::KFieldComparison< D >::compare	(	DArray< RFieldDft< D > > const &	a,
		DArray< RFieldDft< D > > const &	b
	)

Compare arrays of fields associated with different monomer types.

All array dimensions must agree.

An exception is thrown if the capacities of the enclosing DArrays (the number of monomers) are not equal or if the capacities of any pair of individual fields (number of grid points or basis functions) are not equal.

Parameters

a	1st DArray of field
b	2nd DArray of field

Returns

maximum element-by-element difference (maxDiff)

Definition at line 61 of file pspc/field/KFieldComparison.tpp.

References UTIL_CHECK.

maxDiff()

template<int D>

double Pscf::Pspc::KFieldComparison< D >::maxDiff ( ) const

inline

Return the precomputed maximum element-by-element difference.

This function returns the maximum difference between corresponding field array elements found by the most recent comparison.

Definition at line 73 of file pspc/field/KFieldComparison.h.

rmsDiff()

template<int D>

double Pscf::Pspc::KFieldComparison< D >::rmsDiff ( ) const

inline

Return the precomputed root-mean-squared difference.

This function returns the root-mean-squared difference between corresponding elements found by the most recent comparison.

Definition at line 82 of file pspc/field/KFieldComparison.h.

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

• pspc/field/KFieldComparison.h
• pspc/field/KFieldComparison.tpp