Clipper
map_utils.h
1 
4 //C Copyright (C) 2000-2006 Kevin Cowtan and University of York
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43 
44 
45 #ifndef CLIPPER_MAP_UTILS
46 #define CLIPPER_MAP_UTILS
47 
48 
49 #include "derivs.h"
50 
51 
52 namespace clipper
53 {
54 
56 
62  class Map_stats
63  {
64  public:
65  Map_stats() {}
66  template<class M> Map_stats( const M& map );
67  const ftype& mean() const { return mean_; }
68  const ftype& std_dev() const { return std_dev_; }
69  const ftype& min() const { return min_; }
70  const ftype& max() const { return max_; }
71  const Range<> range() const { return Range<>( min_, max_ ); }
72  private:
73  ftype mean_, std_dev_, min_, max_;
74  };
75 
76 
78 
92  {
93  public:
95  template<class M> static void sort_increasing( const M& map, std::vector<int>& index );
97  template<class M> static void sort_decreasing( const M& map, std::vector<int>& index );
99  private:
100  template<class M> class Compare_density {
101  public:
102  Compare_density( const M& m ) { p = &m; }
103  bool operator() ( const int& i1, const int& i2 ) const { return p->get_data(i1) < p->get_data(i2); }
104  private:
105  const M* p;
106  };
107  };
108 
109 
110  // template implementations
111 
114  template<class M> Map_stats::Map_stats( const M& map )
115  {
116  ftype64 w, x, s, sx, sxx;
117  s = sx = sxx = 0.0;
118  min_ = 1.0e12;
119  max_ = -1.0e12;
120  for ( typename M::Map_reference_index im = map.first();
121  !im.last(); im.next() ) {
122  w = 1.0 / ftype64( map.multiplicity( im.coord() ) );
123  x = ftype64( map[im] );
124  if ( !Util::is_nan(x) ) {
125  s += w;
126  sx += w*x;
127  sxx += w*x*x;
128  if ( x < min_ ) min_ = x;
129  if ( x > max_ ) max_ = x;
130  }
131  }
132  sx /= s;
133  sxx /= s;
134  mean_ = sx;
135  std_dev_ = sqrt( sxx - sx*sx );
136  }
137 
138 
139 } // namespace clipper
140 
141 #endif
const ftype & min() const
Minimum of map.
Definition: map_utils.h:69
static void sort_increasing(const M &map, std::vector< int > &index)
Sort a list into increasing order.
Definition: map_utils.cpp:57
static void sort_decreasing(const M &map, std::vector< int > &index)
Sort a list into decreasing order.
Definition: map_utils.cpp:66
Range - upper and lower bounds of some type.
Definition: clipper_stats.h:56
const Range range() const
Range.
Definition: map_utils.h:71
ftype64 ftype
ftype definition for floating point representation
Definition: clipper_precision.h:58
const ftype & std_dev() const
Std deviation of map.
Definition: map_utils.h:68
Map_stats()
null constructor
Definition: map_utils.h:65
static bool is_nan(const ftype32 f)
fast Util::nan() test
Definition: clipper_util.h:82
Generic map sorting class.
Definition: map_utils.h:91
Generic map statistics class.
Definition: map_utils.h:62
const ftype & max() const
Maximum of map.
Definition: map_utils.h:70
const ftype & mean() const
Mean of map.
Definition: map_utils.h:67