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General.h

00001 /* 
00002 * ObjCryst++ : a Crystallographic computing library in C++
00003 *        http://objcryst.sourceforge.net
00004 *        http://www.ccp14.ac.uk/ccp/web-mirrors/objcryst/
00005 *
00006 *  (c) 2000-2001 Vincent FAVRE-NICOLIN vincefn@users.sourceforge.net
00007 *
00008 */
00009 /*   General.h
00010 *  header file for various global declaration. Most of these declarations
00011 * should be moved to other headers, and this file could eventually disappear.
00012 *
00013 */
00014 
00015 #ifndef _VFN_OBJCRYST_H_
00016 #define _VFN_OBJCRYST_H_
00017 
00018 
00019 //#include <stdlib.h>
00020 #include <string>
00021 //#include <iomanip>
00022 #include <cmath>
00023 //#include <typeinfo>
00024 //#include <fstream>
00025 //#include <ctime>
00026 
00027 //profiling
00028 #ifdef __MWERKS__
00029 #include <Profiler.h>
00030 #endif
00031 
00032 #ifdef PROFILING_ON
00033 #include "tau/include/Profile/Profiler.h"
00034 #else
00035 
00036 #define TAU_PROFILE(name, type, group) 
00037 #define TAU_PROFILE_START(var)
00038 #define TAU_PROFILE_TIMER(var, name, type, group)
00039 #define TAU_PROFILE_STOP(var)
00040 #define TAU_PROFILE_INIT(argc, argv)
00041 #define TAU_PROFILE_SET_NODE(node)
00042 #define TAU_PROFILE_SET_CONTEXT(context)
00043 #define TAU_EVENT(event, data)
00044 #define TAU_REPORT_STATISTICS()
00045 #define TAU_REPORT_THREAD_STATISTICS()
00046 
00047 #endif
00048 
00049 #include "Quirks/VFNDebug.h"
00050 
00051 using namespace std;
00058 namespace ObjCryst
00059 {
00060 
00061 #ifndef M_PI
00062 #define M_PI 3.14159265358979323846264338327950288
00063 #endif
00064 
00065 #define DEG2RAD (M_PI/180.)
00066 #define RAD2DEG (180./M_PI)
00067 
00068 // forward declarations... These should be removed...
00069    class AsymmetricUnit;
00070    //class Atom;
00071    class Crystal ;
00072    class IOCrystTag;
00073    class PowderPattern;
00074    class RefinableObj;
00075    class RefinableObjClock;
00076    template<class T> class ObjRegistry;
00077    class RefinablePar;
00078    class Scatterer ;
00079    class ScatteringComponent;
00080    class ScatteringComponentList;
00081    class ScatteringData ;
00082    class ScatteringPower;
00083    class ScatteringPowerAtom;
00084    class SpaceGroup;
00085    class ZPolyhedron ;
00086    class ZScatterer ;
00087    #ifdef __WX__CRYST__
00088    class WXCrystObj;
00089    class WXRefinableObj;
00090    class WXCrystRegistry;
00091    #endif
00092 /*
00093 */
00094 
00095 //######################################################################
00096 
00099 enum RadiationType { RAD_NEUTRON, RAD_XRAY, RAD_ELECTRON};
00101 enum SampleType { SAMPLE_SINGLE_CRYSTAL, SAMPLE_POWDER};
00105 enum WavelengthType { WAVELENGTH_MONOCHROMATIC, WAVELENGTH_ALPHA12, WAVELENGTH_MAD,
00106                       WAVELENGTH_DAFS , WAVELENGTH_LAUE};
00108 enum ReflectionProfileType { PROFILE_GAUSSIAN, PROFILE_LORENTZIAN, PROFILE_PSEUDO_VOIGT,
00109                              PROFILE_PSEUDO_VOIGT_FINGER_COX_JEPHCOAT,
00110                              PROFILE_PEARSON_VII };
00111 
00112 enum PowderBackgroundInterpType{ POWDER_BACKGROUND_LINEAR,
00113                                  POWDER_BACKGROUND_CUBIC_SPLINE};
00114 
00115 #define XRAY_WAVELENGTH_TO_ENERGY 12398.4
00116 
00117 //######################################################################
00118 //  Exception.
00122 //######################################################################
00123 //:TODO: This should go into VFNDebug.h
00124 class ObjCrystException
00125 {
00126    public:
00127       ObjCrystException();
00128       ObjCrystException(const string & message);
00129       ~ObjCrystException();
00130    protected:
00131    private:
00132 };
00133 
00134 }//Namespace
00135 
00136 #endif //_VFN_OBJCRYST_H_

Generated on Wed Nov 14 19:48:35 2001 for ObjCryst++ by doxygen1.2.11.1 written by Dimitri van Heesch, © 1997-2001