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00015 #ifndef _VFN_OBJCRYST_H_
00016 #define _VFN_OBJCRYST_H_
00017
00018
00019
00020 #include <string>
00021
00022 #include <cmath>
00023
00024
00025
00026
00027
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
00069 class AsymmetricUnit;
00070
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
00122
00123
00124 class ObjCrystException
00125 {
00126 public:
00127 ObjCrystException();
00128 ObjCrystException(const string & message);
00129 ~ObjCrystException();
00130 protected:
00131 private:
00132 };
00133
00134 }
00135
00136 #endif //_VFN_OBJCRYST_H_