| hkl Reference Manual | ||||
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HklSample; HklSampleReflection; HklSampleList; enum HklSampleType; HklSample * hkl_sample_new (char const *name,HklSampleType type); HklSample * hkl_sample_new_copy (HklSample const *self); void hkl_sample_free (HklSample *self); void hkl_sample_set_name (HklSample *self,char const *name); int hkl_sample_set_lattice (HklSample *self,double a,double b,double c,double alpha,double beta,double gamma); int hkl_sample_set_U_from_euler (HklSample *self,double x,double y,double z); void hkl_sample_get_UB (HklSample *self,HklMatrix *UB); double hkl_sample_set_UB (HklSample *self,const HklMatrix *UB); HklSampleReflection * hkl_sample_add_reflection (HklSample *self,HklGeometry *geometry,HklDetector const *detector,double h,double k,double l); HklSampleReflection * hkl_sample_get_ith_reflection (HklSample const *self,size_t idx); int hkl_sample_del_reflection (HklSample *self,size_t idx); int hkl_sample_compute_UB_busing_levy (HklSample *self,size_t idx1,size_t idx2); double hkl_sample_affine (HklSample *sample); double hkl_sample_get_reflection_mesured_angle (HklSample const *self,size_t idx1,size_t idx2); double hkl_sample_get_reflection_theoretical_angle (HklSample const *self,size_t idx1,size_t idx2); void hkl_sample_fprintf (FILE *f,HklSample const *self); void hkl_sample_reflection_set_hkl (HklSampleReflection *self,double h,double k,double l); void hkl_sample_reflection_set_flag (HklSampleReflection *self,int flag); void hkl_sample_reflection_set_geometry (HklSampleReflection *self,HklGeometry *geometry); HklSampleList * hkl_sample_list_new (void); void hkl_sample_list_free (HklSampleList *self); HklSample * hkl_sample_list_append (HklSampleList *self,HklSample *sample); void hkl_sample_list_clear (HklSampleList *self); void hkl_sample_list_del (HklSampleList *self,HklSample *sample); size_t hkl_sample_list_len (HklSampleList const *self); HklSample * hkl_sample_list_get_ith (HklSampleList *self,size_t idx); HklSample * hkl_sample_list_get_by_name (HklSampleList *self,char const *name); size_t hkl_sample_list_get_idx_from_name (HklSampleList *self,char const *name); int hkl_sample_list_select_current (HklSampleList *self,char const *name); void hkl_sample_list_fprintf (FILE *f,HklSampleList const *self);
typedef struct {
char *name;
HklSampleType type;
HklLattice *lattice;
HklMatrix U;
HklMatrix UB;
HklParameter *ux;
HklParameter *uy;
HklParameter *uz;
HKL_LIST(HklSampleReflection *, reflections);
} HklSample;
typedef struct {
HklGeometry *geometry;
HklDetector detector;
HklVector hkl;
HklVector _hkl;
int flag;
} HklSampleReflection;
HklSample * hkl_sample_new (char const *name,HklSampleType type);
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int hkl_sample_set_lattice (HklSample *self,double a,double b,double c,double alpha,double beta,double gamma);
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int hkl_sample_set_U_from_euler (HklSample *self,double x,double y,double z);
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double hkl_sample_set_UB (HklSample *self,const HklMatrix *UB);
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HklSampleReflection * hkl_sample_add_reflection (HklSample *self,HklGeometry *geometry,HklDetector const *detector,double h,double k,double l);
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HklSampleReflection * hkl_sample_get_ith_reflection (HklSample const *self,size_t idx);
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int hkl_sample_del_reflection (HklSample *self,size_t idx);
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int hkl_sample_compute_UB_busing_levy (HklSample *self,size_t idx1,size_t idx2);
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double hkl_sample_get_reflection_mesured_angle (HklSample const *self,size_t idx1,size_t idx2);
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double hkl_sample_get_reflection_theoretical_angle (HklSample const *self,size_t idx1,size_t idx2);
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void hkl_sample_reflection_set_hkl (HklSampleReflection *self,double h,double k,double l);
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void hkl_sample_reflection_set_flag (HklSampleReflection *self,int flag);
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void hkl_sample_reflection_set_geometry (HklSampleReflection *self,HklGeometry *geometry);
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HklSample * hkl_sample_list_append (HklSampleList *self,HklSample *sample);
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void hkl_sample_list_del (HklSampleList *self,HklSample *sample);
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HklSample * hkl_sample_list_get_ith (HklSampleList *self,size_t idx);
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HklSample * hkl_sample_list_get_by_name (HklSampleList *self,char const *name);
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size_t hkl_sample_list_get_idx_from_name (HklSampleList *self,char const *name);
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int hkl_sample_list_select_current (HklSampleList *self,char const *name);
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void hkl_sample_list_fprintf (FILE *f,HklSampleList const *self);
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