ccp4_mtz_types.h

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_MTZ_TYPES
00046 #define CLIPPER_MTZ_TYPES
00047 
00048 
00049 #include "../core/container_hkl.h"
00050 
00051 
00052 namespace clipper
00053 {
00054 
00056   class MTZcrystal : public Cell
00057   {
00058   public:
00060     MTZcrystal() {}
00062     MTZcrystal( const String& xname, const String& pname, const Cell& cell );
00064     const String& crystal_name() const;
00066     const String& project_name() const;
00067   protected:
00068     String xname_, pname_;
00069   };
00070 
00072   class MTZdataset
00073   {
00074   public:
00076     MTZdataset() {}
00078     MTZdataset( const String& dname, const ftype& wavel );
00080     const String& dataset_name() const;
00082     const ftype& wavelength() const;
00083   protected:
00084     String dname_;
00085     ftype wavel_;
00086   };
00087 
00089 
00094   class CMTZcrystal : public Container, public MTZcrystal
00095   {
00096   public:
00098     CMTZcrystal() {}
00100     CMTZcrystal( Container& parent, const String& name, const MTZcrystal& xtl ) : Container( parent, name ), MTZcrystal( xtl ) {}
00101   };
00102 
00104 
00109   class CMTZdataset : public Container, public MTZdataset
00110   {
00111   public: 
00113     CMTZdataset() {}
00115     CMTZdataset( Container& parent, const String& name, const MTZdataset& set ) : Container( parent, name ), MTZdataset( set ) {}
00116   };
00117 
00118 } // namespace clipper
00119 
00120 #endif

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