Clipper
container_hkl.h
1 
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43 
44 
45 #ifndef CLIPPER_CONTAINER_HKL
46 #define CLIPPER_CONTAINER_HKL
47 
48 
49 #include "container_types.h"
50 #include "hkl_data.h"
51 
52 
53 namespace clipper
54 {
55 
56  extern const HKL_info NullHKL_info; //<! null instance
57 
58 
60 
63  class CHKL_info : public Container, public HKL_info
64  {
65  public:
67  CHKL_info( const String name = "",
68  const Spacegroup& spacegroup = NullSpacegroup,
69  const Cell& cell = NullCell,
70  const Resolution& resolution = NullResolution,
71  const bool& generate = false );
73  CHKL_info( Container& parent, const String name = "",
74  const bool& generate = false );
76  void init( const Spacegroup& spacegroup, const Cell& cell,
77  const Resolution& resolution, const bool& generate = false );
78 
80  void generate_hkl_list();
82  void update();
83  private:
84  bool generate_;
85  };
86 
87 
89 
91  template<class T> class CHKL_data : public Container, public HKL_data<T>
92  {
93  public:
95  CHKL_data() {}
97  CHKL_data( Container& parent, const String name = "" );
99  void init( const HKL_info& hkl_info, const Cell& cell );
101  void init( const Spacegroup& spacegroup, const Cell& cell, const HKL_sampling& hkl_sampling ) { clipper::Message::message( clipper::Message_fatal("CHKL_data deprecated") ); }
103  void update();
104 
107  { return ( dynamic_cast<HKL_data<T>&>(*this) = other ); }
109  HKL_data<T>& operator =( const T& value )
110  { return ( dynamic_cast<HKL_data<T>&>(*this) = value ); }
111  };
112 
113 
114  // template implementations
115 
116 
124  template<class T> CHKL_data<T>::CHKL_data( Container& parent, const String name ) : Container( parent, name )
125  {
126  init( NullHKL_info, NullCell );
127  }
128 
129 
135  template<class T> void CHKL_data<T>::init( const HKL_info& hkl_info, const Cell& cell )
136  {
137  // use supplied values by default
138  const HKL_info* hp = &hkl_info;
139  const Cell* cp = &cell;
140  // otherwise get them from the tree
141  if ( hp->is_null() ) hp = parent_of_type_ptr<const HKL_info>();
142  if ( cp->is_null() ) cp = parent_of_type_ptr<const Cell>();
143  // if we have an hkl_info, try and init
144  if ( hp != NULL ) {
145  // if no cell then inherit
146  if ( cp == NULL ) cp = &(hp->cell());
147  // now initialise
148  if ( !hp->is_null() && !cp->is_null() )
149  HKL_data<T>::init( *hp, *cp );
150  }
152  }
153 
154 
160  template<class T> void CHKL_data<T>::update()
161  {
162  if ( HKL_data_base::is_null() )
163  init( NullHKL_info, NullCell );
164  else
167  }
168 
169 
170 } // namespace clipper
171 
172 #endif
const Container & parent() const
get the parent of this object
Definition: container.cpp:142
HKL_data<>
Definition: hkl_data.h:234
Fatal message (level = 9)
Definition: clipper_message.h:129
bool is_null() const
test if object has been initialised
Definition: hkl_data.cpp:126
void generate_hkl_list()
synthesize hkl list and update children
Definition: container_hkl.cpp:102
HKL sampling of reciprocal space.
Definition: coords.h:552
const Spacegroup & spacegroup() const
get the spacegroup
Definition: hkl_info.h:80
void update()
hierarchical update
Definition: container_hkl.h:160
virtual void update()
update: hierarchical content update function
Definition: container.cpp:65
Resolution in angstroms.
Definition: coords.h:68
bool is_null() const
test if object has been initialised
Definition: cell.cpp:151
HKL list container and tree root.
Definition: hkl_info.h:62
const Cell & cell() const
get the cell
Definition: hkl_info.h:78
const Resolution & resolution() const
get the resolution
Definition: hkl_info.h:84
Cell object.
Definition: cell.h:121
String name() const
get the name of this tree object
Definition: container.cpp:127
void update()
hierarchical update
Definition: container_hkl.cpp:112
Spacegroup object.
Definition: spacegroup.h:172
const HKL_sampling & hkl_sampling() const
[CLIPPER2] get HKL_sampling
Definition: hkl_data.h:168
CHKL_data()
null constructor
Definition: container_hkl.h:95
HKL_data< T > & operator=(const HKL_data< T > &other)
assignment operator: copies the data from another list
Definition: container_hkl.h:106
const HKL_info & hkl_info() const
[CLIPPER2] get HKL_info object
Definition: hkl_data.h:170
String extension with simple parsing methods.
Definition: clipper_types.h:64
bool is_null() const
test if object has been initialised
Definition: hkl_info.cpp:188
const Cell & cell() const
[CLIPPER2] get cell
Definition: hkl_data.h:164
const Spacegroup & spacegroup() const
[CLIPPER2] get spacegroup
Definition: hkl_data.h:162
void init(const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling)
initialiser: from spacegroup, cell, and HKL_sampling
Definition: container_hkl.h:101
HKL list and indexing object container.
Definition: container_hkl.h:63
static void message(const T &message)
pass a message
Definition: clipper_message.h:93
void init(const HKL_info &hkl_info, const Cell &cell)
initialiser: supply or inherit hkl list, and cell
Definition: container_hkl.h:135
void init(const Spacegroup &spacegroup, const Cell &cell, const Resolution &resolution, const bool &generate=false)
initialiser: supply or inherit spacegroup, cell and resolution
Definition: container_hkl.cpp:79
Definition for a generic container Object.
Definition: container.h:68
Reflection data list container.
Definition: container_hkl.h:91
void update()
update: synchornize info with parent HKL_info
Definition: hkl_data.h:406
CHKL_info(const String name="", const Spacegroup &spacegroup=NullSpacegroup, const Cell &cell=NullCell, const Resolution &resolution=NullResolution, const bool &generate=false)
constructor: make null object or top object in tree
Definition: container_hkl.cpp:56