/usr/include/clipper/contrib/sfscale.h is in libclipper-dev 2.1.20130601-2.1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 | /*! \file sfscale.h
Header file for structure factor anisotropic scaling object
*/
//C Copyright (C) 2000-2006 Kevin Cowtan and University of York
//L
//L This library is free software and is distributed under the terms
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//L any additional restriction, and so does not affect compatibility
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//L other terms, please contact the maintainer.
//L
//L You can redistribute it and/or modify the library under the terms of
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#ifndef CLIPPER_SFSCALE
#define CLIPPER_SFSCALE
#include "function_object_bases.h"
#include "../core/resol_targetfn.h"
namespace clipper {
//! Structure factor anisotropic scaling
/*! Perform structure factor anisotropic scaling, observed to calculated,
calculated to observed, or observed against itself.
\ingroup g_funcobj */
template<class T> class SFscale_aniso : public SFscale_base<T> {
public:
enum TYPE { F, I }; //!< type for returning U_aniso_orth
enum MODE { NORMAL, SHARPEN, UNSHARPEN }; //!< mode for scaling
//! constructor: takes rejection criterion for F/sigF
SFscale_aniso( ftype nsig = 0.0, MODE mode = NORMAL )
: nsig_(nsig), mode_(mode) {}
//! Scale Fo to Fc
bool operator() ( HKL_data<datatypes::F_sigF<T> >& fo, const HKL_data<datatypes::F_phi<T> >& fc );
//! Scale Fc to Fo
bool operator() ( HKL_data<datatypes::F_phi<T> >& fc, const HKL_data<datatypes::F_sigF<T> >& fo );
//! Scale Fo to isotropic (approximate)
bool operator() ( HKL_data<datatypes::F_sigF<T> >& fo );
//! Scale Fo to isotropic (approximate)
bool operator() ( HKL_data<datatypes::F_sigF<T> >& fo, const ftype resfilter, const int npar_scl );
//! Scale Io to isotropic (approximate)
bool operator() ( HKL_data<datatypes::I_sigI<T> >& Io, const ftype resfilter, const int npar_scl );
//! Primitive scaling functions for F and I
template<class D, class T1, class T2, class S>
bool scale( HKL_data<D>& fo, const ftype resfilter, const int npar_scl );
//! return aniso correction on F or I
const U_aniso_orth& u_aniso_orth( TYPE t ) const;
const U_aniso_orth& u_aniso_orth() const { return u_i; } //!< \deprecated
private:
const T& obs( const datatypes::F_sigF<T>& f ) { return f.f(); }
const T& obs( const datatypes::I_sigI<T>& f ) { return f.I(); }
const T& sigobs( const datatypes::F_sigF<T>& f ) { return f.sigf(); }
const T& sigobs( const datatypes::I_sigI<T>& f ) { return f.sigI(); }
U_aniso_orth u_i, u_f;
ftype nsig_;
MODE mode_;
};
} // namespace clipper
#endif
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