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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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