clipper::EDcalc_aniso< T > Class Template Reference

Anisotropic electron density calculation. More...

#include <edcalc.h>

Inheritance diagram for clipper::EDcalc_aniso< T >:

List of all members.

Public Member Functions
	EDcalc_aniso (const ftype radius=2.5)
bool	operator() (Xmap< T > &xmap, const Atom_list &atoms) const
	Electron density calculation function definition.
bool	operator() (NXmap< T > &nxmap, const Atom_list &atoms) const

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Detailed Description

template<class T>
class clipper::EDcalc_aniso< T >

Anisotropic electron density calculation.

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Member Function Documentation

template<class T >

bool clipper::EDcalc_aniso< T >::operator()	(	Xmap< T > &	xmap,
		const Atom_list &	atoms
	)			const [inline, virtual]

Electron density calculation function definition.

In the implementations, this function will do the actual electron density calculation.

Parameters:

	xmap	Electron density map to be calculated. On output this holds the electron density map corresponding to the atomic model.
	atoms	The atom selection from which the density is to be calculated.

Returns:

true on success.

Implements clipper::EDcalc_base< T >.

References clipper::Xmap< T >::cell(), clipper::Xmap_base::Xmap_base::Map_reference_coord::coord(), clipper::Coord_map::coord_grid(), clipper::Xmap_base::coord_map(), clipper::Xmap_base::Xmap_base::Map_reference_coord::coord_orth(), clipper::Xmap< T >::first(), clipper::Xmap< T >::grid_sampling(), clipper::Mat33sym< T >::is_null(), clipper::Grid_range::max(), clipper::Grid_range::min(), clipper::Xmap< T >::multiplicity(), clipper::Xmap_base::Xmap_base::Map_reference_coord::next_u(), clipper::Xmap_base::Xmap_base::Map_reference_coord::next_v(), clipper::Xmap_base::Xmap_base::Map_reference_coord::next_w(), clipper::AtomShapeFn::rho(), clipper::Coord_grid::u(), clipper::Coord_grid::v(), and clipper::Coord_grid::w().

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

• edcalc.h
• edcalc.cpp