clipper::SFcalc_iso_sum< T > Class Template Reference

Isotropic structure factor calculation by slow summation. More...

#include <sfcalc.h>

Inheritance diagram for clipper::SFcalc_iso_sum< T >:

List of all members.

Public Member Functions
	SFcalc_iso_sum ()
	constructor
	SFcalc_iso_sum (HKL_data< datatypes::F_phi< T > > &fphidata, const Atom_list &atoms)
	constructor: shorthand for constructor+operator
bool	operator() (HKL_data< datatypes::F_phi< T > > &fphidata, const Atom_list &atoms) const
	Structure factor calculation function definition.

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Detailed Description

template<class T>
class clipper::SFcalc_iso_sum< T >

Isotropic structure factor calculation by slow summation.

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Member Function Documentation

template<class T >

bool clipper::SFcalc_iso_sum< T >::operator()	(	HKL_data< datatypes::F_phi< T > > &	fphidata,
		const Atom_list &	atoms
	)			const [inline, virtual]

Structure factor calculation function definition.

In the implementations, this function will do the actual structure factor calculation.

Parameters:

	fphidata	Fourier coefficients to be calculated. On output this holds the Fourier coefficients corresponding to the atomic model.
	atoms	The atom selection from which the density is to be calculated.

Returns:

true on success.

Implements clipper::SFcalc_base< T >.

References clipper::HKL::coord_reci_frac(), clipper::AtomShapeFn::f(), clipper::HKL_info::first(), clipper::HKL_info::HKL_reference_index::hkl(), clipper::HKL_info::HKL_reference_index::invresolsq(), clipper::HKL_info::HKL_reference_index::last(), clipper::HKL_info::HKL_reference_index::next(), clipper::Spacegroup::num_symops(), clipper::HKL_info::spacegroup(), clipper::Spacegroup::symop(), and clipper::Util::twopi().

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

• sfcalc.h
• sfcalc.cpp