Clipper
hkl_compute.h
1 
4 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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43 
44 
45 #ifndef CLIPPER_HKL_COMPUTE
46 #define CLIPPER_HKL_COMPUTE
47 
48 #include "hkl_datatypes.h"
49 
50 
51 namespace clipper
52 {
53 
54  namespace datatypes
55  {
56  // Define conversion operators
57 
59  template<class dtype> class Compute_phifom_from_abcd
60  {
61  public:
62  // constructor: sets up integration tables
64  const Phi_fom<dtype> operator()( const HKL_info::HKL_reference_index& ih, const ABCD<dtype>& abcd ) const;
65  private:
66  ftype costab[144], sintab[144];
67  };
68 
70  template<class dtype> class Compute_abcd_from_phifom
71  {
72  public:
73  const ABCD<dtype> operator()( const HKL_info::HKL_reference_index& ih, const Phi_fom<dtype>& phifom ) const;
74  };
75 
77  template<class dtype> class Compute_fphi_from_fsigf_phifom
78  {
79  public:
80  const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF<dtype>& fsigf, const Phi_fom<dtype>& phifom ) const;
81  };
82 
84  template<class dtype> class Compute_EsigE_from_FsigF
85  {
86  public:
87  const E_sigE<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF<dtype>& fsigf ) const;
88  };
89 
91  template<class dtype> class Compute_mean_fsigf_from_fsigfano
92  {
93  public:
94  const F_sigF<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF_ano<dtype>& fsigfano ) const;
95  };
96 
98  template<class dtype> class Compute_diff_fsigf_from_fsigfano
99  {
100  public:
101  const F_sigF<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_sigF_ano<dtype>& fsigfano ) const;
102  };
103 
105  template<class dtype> class Compute_neg_fphi
106  {
107  public:
108  const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_phi<dtype>& fphi1 ) const;
109  };
110 
112  template<class dtype> class Compute_add_fphi
113  {
114  public:
115  const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_phi<dtype>& fphi1, const F_phi<dtype>& fphi2 ) const;
116  };
117 
119  template<class dtype> class Compute_sub_fphi
120  {
121  public:
122  const F_phi<dtype> operator()( const HKL_info::HKL_reference_index& ih, const F_phi<dtype>& fphi1, const F_phi<dtype>& fphi2 ) const;
123  };
124 
126  template<class dtype> class Compute_add_abcd
127  {
128  public:
129  const ABCD<dtype> operator()( const HKL_info::HKL_reference_index& ih, const ABCD<dtype>& abcd1, const ABCD<dtype>& abcd2 ) const;
130  };
131 
133  template<class T> class Compute_scale_u
134  {
135  public:
137  Compute_scale_u( const ftype& s, const ftype& u );
138  const T operator()( const HKL_info::HKL_reference_index& ih, T data ) const;
139  private:
140  ftype s_, u_;
141  };
142 
144  template<class T> class Compute_scale_u_iso
145  {
146  public:
148  Compute_scale_u_iso( const ftype& s, const ftype& u );
149  const T operator()( const HKL_info::HKL_reference_index& ih, T data ) const;
150  private:
151  ftype s_, u_;
152  };
153 
155  template<class T> class Compute_scale_u_aniso
156  {
157  public:
159  Compute_scale_u_aniso( const ftype& s, const U_aniso_orth& u );
160  const T operator()( const HKL_info::HKL_reference_index& ih, T data ) const;
161  private:
162  ftype s_;
163  U_aniso_orth u_;
164  };
165 
167 
169  template<class dtype, class T> class Compute_FsigF
170  {
171  public:
172  const F_sigF<dtype> operator()( const HKL_info::HKL_reference_index& ih, const T& fsigf ) const;
173  };
174 
175 
176  }
177 
178 
179  namespace data32
180  {
201 
206  }
207 
208  namespace data64
209  {
230 
235  }
236 
237 
238 
239 } // namespace clipper
240 
241 #endif