| 1 | #if !defined(invertor_h) |
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| 2 | #define invertor_h |
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| 3 | |
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| 4 | /** |
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| 5 | * Internal data structure for P(r) inversion |
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| 6 | */ |
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| 7 | typedef struct { |
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| 8 | /// Maximum distance between any two points in the system |
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| 9 | double d_max; |
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| 10 | /// q data |
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| 11 | double *x; |
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| 12 | /// I(q) data |
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| 13 | double *y; |
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| 14 | /// dI(q) data |
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| 15 | double *err; |
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| 16 | /// Number of q points |
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| 17 | int npoints; |
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| 18 | /// Number of I(q) points |
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| 19 | int ny; |
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| 20 | /// Number of dI(q) points |
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| 21 | int nerr; |
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| 22 | /// Alpha value |
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| 23 | double alpha; |
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| 24 | /// Minimum q to include in inversion |
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| 25 | double q_min; |
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| 26 | /// Maximum q to include in inversion |
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| 27 | double q_max; |
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| 28 | /// Flag for whether or not to evalute a constant background while inverting |
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| 29 | int has_bck; |
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| 30 | /// Slit height in units of q [A-1] |
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| 31 | double slit_height; |
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| 32 | /// Slit width in units of q [A-1] |
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| 33 | double slit_width; |
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| 34 | } Invertor_params; |
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| 35 | |
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| 36 | void invertor_dealloc(Invertor_params *pars); |
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| 37 | |
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| 38 | void invertor_init(Invertor_params *pars); |
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| 39 | |
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| 40 | double pr_sphere(double R, double r); |
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| 41 | double ortho(double d_max, int n, double r); |
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| 42 | double ortho_transformed(double d_max, int n, double q); |
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| 43 | double ortho_derived(double d_max, int n, double r); |
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| 44 | double iq(double *c, double d_max, int n_c, double q); |
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| 45 | double pr(double *c, double d_max, int n_c, double r); |
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| 46 | double dprdr(double *pars, double d_max, int n_c, double r); |
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| 47 | double reg_term(double *pars, double d_max, int n_c, int nslice); |
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| 48 | double int_p2(double *pars, double d_max, int n_c, int nslice); |
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| 49 | void pr_err(double *pars, double *err, double d_max, int n_c, |
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| 50 | double r, double *pr_value, double *pr_value_err); |
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| 51 | int npeaks(double *pars, double d_max, int n_c, int nslice); |
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| 52 | double positive_integral(double *pars, double d_max, int n_c, int nslice); |
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| 53 | double positive_errors(double *pars, double *err, double d_max, int n_c, int nslice); |
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| 54 | double rg(double *pars, double d_max, int n_c, int nslice); |
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| 55 | double int_pr(double *pars, double d_max, int n_c, int nslice); |
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| 56 | double ortho_transformed_smeared(double d_max, int n, double heigth, double width, double q, int npts); |
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| 57 | double iq_smeared(double *pars, double d_max, int n_c, double height, double width, double q, int npts); |
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| 58 | |
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| 59 | #endif |
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