45 #ifndef CLIPPER_HKL_COMPUTE
46 #define CLIPPER_HKL_COMPUTE
48 #include "hkl_datatypes.h"
66 ftype costab[144], sintab[144];
Compute from F_sigF to E_sigE.
Definition: hkl_compute.h:85
datatypes::Compute_add_abcd< ftype64 > Compute_add_abcd
operator
Definition: hkl_compute.h:219
Reflection data type: best phi + fom.
Definition: hkl_datatypes.h:335
datatypes::Compute_add_fphi< ftype32 > Compute_add_fphi
operator
Definition: hkl_compute.h:188
Compute_scale_u(const ftype &s, const ftype &u)
constructor: takes scale, U value
Definition: hkl_compute.cpp:223
Compute from F_sigF_anom to F_sigF (difference structure factor)
Definition: hkl_compute.h:99
Compute_scale_u_iso(const ftype &s, const ftype &u)
constructor: takes scale, U value
Definition: hkl_compute.cpp:243
datatypes::Compute_neg_fphi< ftype32 > Compute_neg_fphi
operator
Definition: hkl_compute.h:187
datatypes::Compute_scale_u_aniso< datatypes::F_phi< ftype32 > > Compute_scale_u_aniso_fphi
operator
Definition: hkl_compute.h:198
Add two F_phi datalists.
Definition: hkl_compute.h:113
datatypes::Compute_diff_fsigf_from_fsigfano< ftype64 > Compute_diff_fsigf_from_fsigfano
operator
Definition: hkl_compute.h:215
datatypes::Compute_scale_u_aniso< datatypes::F_sigF_ano< ftype64 > > Compute_scale_u_aniso_fsigfano
operator
Definition: hkl_compute.h:226
Subtract two F_phi datalists.
Definition: hkl_compute.h:120
datatypes::Compute_fphi_from_fsigf_phifom< ftype64 > Compute_fphi_from_fsigf_phifom
operator
Definition: hkl_compute.h:212
Reflection data type: F(+) F(+) sigF(+) sigF(-) cov+-.
Definition: hkl_datatypes.h:177
datatypes::Compute_EsigE_from_FsigF< ftype64 > Compute_EsigE_from_FsigF
operator
Definition: hkl_compute.h:213
datatypes::Compute_scale_u_aniso< datatypes::I_sigI< ftype64 > > Compute_scale_u_aniso_isigi
operator
Definition: hkl_compute.h:224
ftype64 ftype
ftype definition for floating point representation
Definition: clipper_precision.h:58
datatypes::Compute_scale_u_iso< datatypes::F_sigF_ano< ftype32 > > Compute_scale_u_iso_fsigfano
operator
Definition: hkl_compute.h:193
datatypes::Compute_scale_u_aniso< datatypes::F_sigF< ftype32 > > Compute_scale_u_aniso_fsigf
operator
Definition: hkl_compute.h:196
datatypes::Compute_fphi_from_fsigf_phifom< ftype32 > Compute_fphi_from_fsigf_phifom
operator
Definition: hkl_compute.h:183
datatypes::Compute_scale_u_iso< datatypes::F_sigF_ano< ftype64 > > Compute_scale_u_iso_fsigfano
operator
Definition: hkl_compute.h:222
datatypes::Compute_FsigF< ftype64, datatypes::F_sigF_ano< ftype64 > > Compute_FsigF_from_ano
operator
Definition: hkl_compute.h:229
datatypes::Compute_scale_u_aniso< datatypes::F_phi< ftype64 > > Compute_scale_u_aniso_fphi
operator
Definition: hkl_compute.h:227
const ABCD< dtype > operator()(const HKL_info::HKL_reference_index &ih, const Phi_fom< dtype > &phifom) const
conv op
Definition: hkl_compute.cpp:94
Compute from F_sigF to F_sigF.
Definition: hkl_compute.h:170
datatypes::Compute_sub_fphi< ftype64 > Compute_sub_fphi
operator
Definition: hkl_compute.h:218
Anisotropic orthogonal atomic displacement parameters.
Definition: coords.h:427
HKL reference with index-like behaviour.
Definition: hkl_info.h:152
datatypes::Compute_scale_u_iso< datatypes::F_phi< ftype64 > > Compute_scale_u_iso_fphi
operator
Definition: hkl_compute.h:223
datatypes::Compute_diff_fsigf_from_fsigfano< ftype32 > Compute_diff_fsigf_from_fsigfano
operator
Definition: hkl_compute.h:186
const T operator()(const HKL_info::HKL_reference_index &ih, T data) const
conv op
Definition: hkl_compute.cpp:228
const E_sigE< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_sigF< dtype > &fsigf) const
conv op
Definition: hkl_compute.cpp:121
const F_phi< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_phi< dtype > &fphi1, const F_phi< dtype > &fphi2) const
conv op
Definition: hkl_compute.cpp:190
datatypes::Compute_FsigF< ftype64, datatypes::F_sigF< ftype64 > > Compute_FsigF
operator
Definition: hkl_compute.h:228
const F_phi< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_sigF< dtype > &fsigf, const Phi_fom< dtype > &phifom) const
conv op
Definition: hkl_compute.cpp:110
datatypes::Compute_neg_fphi< ftype64 > Compute_neg_fphi
operator
Definition: hkl_compute.h:216
const F_phi< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_phi< dtype > &fphi1, const F_phi< dtype > &fphi2) const
conv op
Definition: hkl_compute.cpp:181
datatypes::Compute_mean_fsigf_from_fsigfano< ftype64 > Compute_mean_fsigf_from_fsigfano
operator
Definition: hkl_compute.h:214
datatypes::Compute_scale_u_iso< datatypes::F_phi< ftype32 > > Compute_scale_u_iso_fphi
operator
Definition: hkl_compute.h:194
Compute_scale_u_aniso(const ftype &s, const U_aniso_orth &u)
constructor: takes scale, U value
Definition: hkl_compute.cpp:262
datatypes::Compute_scale_u_aniso< datatypes::F_sigF< ftype64 > > Compute_scale_u_aniso_fsigf
operator
Definition: hkl_compute.h:225
Compute from F_sigF_anom to F_sigF (mean structure factor)
Definition: hkl_compute.h:92
Reflection data type: Hendrickson-Lattman coeff.
Definition: hkl_datatypes.h:364
datatypes::Compute_phifom_from_abcd< ftype32 > Compute_phifom_from_abcd
operator
Definition: hkl_compute.h:181
datatypes::Compute_sub_fphi< ftype32 > Compute_sub_fphi
operator
Definition: hkl_compute.h:189
datatypes::Compute_EsigE_from_FsigF< ftype32 > Compute_EsigE_from_FsigF
operator
Definition: hkl_compute.h:184
datatypes::Compute_scale_u_iso< datatypes::I_sigI< ftype64 > > Compute_scale_u_iso_isigi
operator
Definition: hkl_compute.h:220
datatypes::Compute_FsigF< ftype32, datatypes::F_sigF_ano< ftype32 > > Compute_FsigF_from_ano
operator
Definition: hkl_compute.h:200
datatypes::Compute_mean_fsigf_from_fsigfano< ftype32 > Compute_mean_fsigf_from_fsigfano
operator
Definition: hkl_compute.h:185
datatypes::Compute_scale_u_aniso< datatypes::F_sigF_ano< ftype32 > > Compute_scale_u_aniso_fsigfano
operator
Definition: hkl_compute.h:197
Compute from ABCD to Phi_fom by phase integration (loses bimodality)
Definition: hkl_compute.h:60
datatypes::Compute_abcd_from_phifom< ftype32 > Compute_abcd_from_phifom
operator
Definition: hkl_compute.h:182
datatypes::Compute_scale_u_iso< datatypes::F_sigF< ftype32 > > Compute_scale_u_iso_fsigf
operator
Definition: hkl_compute.h:192
datatypes::Compute_scale_u_aniso< datatypes::I_sigI< ftype32 > > Compute_scale_u_aniso_isigi
operator
Definition: hkl_compute.h:195
datatypes::Compute_scale_u_iso< datatypes::I_sigI< ftype32 > > Compute_scale_u_iso_isigi
operator
Definition: hkl_compute.h:191
datatypes::Compute_scale_u_iso< datatypes::F_sigF< ftype64 > > Compute_scale_u_iso_fsigf
operator
Definition: hkl_compute.h:221
datatypes::Compute_phifom_from_abcd< ftype64 > Compute_phifom_from_abcd
operator
Definition: hkl_compute.h:210
datatypes::Compute_add_abcd< ftype32 > Compute_add_abcd
operator
Definition: hkl_compute.h:190
datatypes::Compute_FsigF< ftype32, datatypes::F_sigF< ftype32 > > Compute_FsigF
operator
Definition: hkl_compute.h:199
const F_phi< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_phi< dtype > &fphi1) const
conv op
Definition: hkl_compute.cpp:172
Reflection data type: F + sigF.
Definition: hkl_datatypes.h:140
Negate F_phi (i.e. advance phase by pi)
Definition: hkl_compute.h:106
datatypes::Compute_add_fphi< ftype64 > Compute_add_fphi
operator
Definition: hkl_compute.h:217
Apply scale and U to any scalable datatype.
Definition: hkl_compute.h:145
const ABCD< dtype > operator()(const HKL_info::HKL_reference_index &ih, const ABCD< dtype > &abcd1, const ABCD< dtype > &abcd2) const
conv op
Definition: hkl_compute.cpp:199
datatypes::Compute_abcd_from_phifom< ftype64 > Compute_abcd_from_phifom
operator
Definition: hkl_compute.h:211
const T operator()(const HKL_info::HKL_reference_index &ih, T data) const
conv op
Definition: hkl_compute.cpp:267
const Phi_fom< dtype > operator()(const HKL_info::HKL_reference_index &ih, const ABCD< dtype > &abcd) const
conv op
Definition: hkl_compute.cpp:59
Apply scale and U to any scalable datatype.
Definition: hkl_compute.h:156
Compute from Phi_fom to ABCD ( C = D = 0 )
Definition: hkl_compute.h:71
Reflection data type: E + sigE.
Definition: hkl_datatypes.h:223
const T operator()(const HKL_info::HKL_reference_index &ih, T data) const
conv op
Definition: hkl_compute.cpp:248
const F_sigF< dtype > operator()(const HKL_info::HKL_reference_index &ih, const T &fsigf) const
conv op
Definition: hkl_compute.cpp:275
Add two ABCD datalists.
Definition: hkl_compute.h:127
const F_sigF< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_sigF_ano< dtype > &fsigfano) const
conv op
Definition: hkl_compute.cpp:132
Compute from F_sigF+Phi_fom to F_phi.
Definition: hkl_compute.h:78
Reflection data type: F + phi model or map coeff (e.g. Fcalc, Fbest)
Definition: hkl_datatypes.h:292
const F_sigF< dtype > operator()(const HKL_info::HKL_reference_index &ih, const F_sigF_ano< dtype > &fsigfano) const
conv op
Definition: hkl_compute.cpp:154
Definition: hkl_compute.h:134