Clipper
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00001 00004 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York 00005 //L 00006 //L This library is free software and is distributed under the terms 00007 //L and conditions of version 2.1 of the GNU Lesser General Public 00008 //L Licence (LGPL) with the following additional clause: 00009 //L 00010 //L `You may also combine or link a "work that uses the Library" to 00011 //L produce a work containing portions of the Library, and distribute 00012 //L that work under terms of your choice, provided that you give 00013 //L prominent notice with each copy of the work that the specified 00014 //L version of the Library is used in it, and that you include or 00015 //L provide public access to the complete corresponding 00016 //L machine-readable source code for the Library including whatever 00017 //L changes were used in the work. (i.e. If you make changes to the 00018 //L Library you must distribute those, but you do not need to 00019 //L distribute source or object code to those portions of the work 00020 //L not covered by this licence.)' 00021 //L 00022 //L Note that this clause grants an additional right and does not impose 00023 //L any additional restriction, and so does not affect compatibility 00024 //L with the GNU General Public Licence (GPL). If you wish to negotiate 00025 //L other terms, please contact the maintainer. 00026 //L 00027 //L You can redistribute it and/or modify the library under the terms of 00028 //L the GNU Lesser General Public License as published by the Free Software 00029 //L Foundation; either version 2.1 of the License, or (at your option) any 00030 //L later version. 00031 //L 00032 //L This library is distributed in the hope that it will be useful, but 00033 //L WITHOUT ANY WARRANTY; without even the implied warranty of 00034 //L MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 00035 //L Lesser General Public License for more details. 00036 //L 00037 //L You should have received a copy of the CCP4 licence and/or GNU 00038 //L Lesser General Public License along with this library; if not, write 00039 //L to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. 00040 //L The GNU Lesser General Public can also be obtained by writing to the 00041 //L Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, 00042 //L MA 02111-1307 USA 00043 00044 00045 #ifndef CLIPPER_MAP_UTILS 00046 #define CLIPPER_MAP_UTILS 00047 00048 00049 #include "derivs.h" 00050 00051 00052 namespace clipper 00053 { 00054 00056 00062 class Map_stats 00063 { 00064 public: 00065 Map_stats() {} 00066 template<class M> Map_stats( const M& map ); 00067 const ftype& mean() const { return mean_; } 00068 const ftype& std_dev() const { return std_dev_; } 00069 const ftype& min() const { return min_; } 00070 const ftype& max() const { return max_; } 00071 const Range<> range() const { return Range<>( min_, max_ ); } 00072 private: 00073 ftype mean_, std_dev_, min_, max_; 00074 }; 00075 00076 00078 00091 class Map_index_sort 00092 { 00093 public: 00095 template<class M> static void sort_increasing( const M& map, std::vector<int>& index ); 00097 template<class M> static void sort_decreasing( const M& map, std::vector<int>& index ); 00099 private: 00100 template<class M> class Compare_density { 00101 public: 00102 Compare_density( const M& m ) { p = &m; } 00103 bool operator() ( const int& i1, const int& i2 ) const { return p->get_data(i1) < p->get_data(i2); } 00104 private: 00105 const M* p; 00106 }; 00107 }; 00108 00109 00110 // template implementations 00111 00114 template<class M> Map_stats::Map_stats( const M& map ) 00115 { 00116 ftype64 w, x, s, sx, sxx; 00117 s = sx = sxx = 0.0; 00118 min_ = 1.0e12; 00119 max_ = -1.0e12; 00120 for ( typename M::Map_reference_index im = map.first(); 00121 !im.last(); im.next() ) { 00122 w = 1.0 / ftype64( map.multiplicity( im.coord() ) ); 00123 x = ftype64( map[im] ); 00124 if ( !Util::is_nan(x) ) { 00125 s += w; 00126 sx += w*x; 00127 sxx += w*x*x; 00128 if ( x < min_ ) min_ = x; 00129 if ( x > max_ ) max_ = x; 00130 } 00131 } 00132 sx /= s; 00133 sxx /= s; 00134 mean_ = sx; 00135 std_dev_ = sqrt( sxx - sx*sx ); 00136 } 00137 00138 00139 } // namespace clipper 00140 00141 #endif