core_shell_microgelscostrafo411magnetic_modelrelease_v0.94release_v0.95ticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change
on this file since 5fd684d was
2c74c11,
checked in by Paul Kienzle <pkienzle@…>, 8 years ago
|
implicit Iqxy; fix divide by 0 for q=0
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-
Property mode set to
100644
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File size:
1.2 KB
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Rev | Line | |
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[7ed702f] | 1 | double form_volume(double radius); |
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| 2 | |
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| 3 | double Iq(double q, |
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| 4 | double mass_dim, |
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| 5 | double surface_dim, |
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| 6 | double cluster_rg, |
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| 7 | double primary_rg); |
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| 8 | |
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| 9 | static double _mass_surface_fractal_kernel(double q, |
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| 10 | double mass_dim, |
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| 11 | double surface_dim, |
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| 12 | double cluster_rg, |
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| 13 | double primary_rg) |
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| 14 | { |
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| 15 | //computation |
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| 16 | double tot_dim = 6.0 - surface_dim - mass_dim; |
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| 17 | mass_dim /= 2.0; |
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| 18 | tot_dim /= 2.0; |
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| 19 | |
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| 20 | double rc_norm = cluster_rg * cluster_rg / (3.0 * mass_dim); |
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| 21 | double rp_norm = primary_rg * primary_rg / (3.0 * tot_dim); |
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| 22 | |
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| 23 | //x for P |
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| 24 | double x_val1 = 1.0 + q * q * rc_norm; |
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| 25 | double x_val2 = 1.0 + q * q * rp_norm; |
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| 26 | |
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| 27 | double inv_form = pow(x_val1, mass_dim) * pow(x_val2, tot_dim); |
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| 28 | |
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| 29 | //another singular |
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| 30 | if (inv_form == 0.0) return 0.0; |
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| 31 | |
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| 32 | double form_factor = 1.0; |
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| 33 | form_factor /= inv_form; |
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| 34 | |
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| 35 | return (form_factor); |
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| 36 | } |
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| 37 | double form_volume(double radius){ |
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| 38 | |
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| 39 | return 1.333333333333333*M_PI*radius*radius*radius; |
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| 40 | } |
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| 41 | |
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| 42 | double Iq(double q, |
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| 43 | double mass_dim, |
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| 44 | double surface_dim, |
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| 45 | double cluster_rg, |
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| 46 | double primary_rg) |
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| 47 | { |
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| 48 | return _mass_surface_fractal_kernel(q, |
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| 49 | mass_dim, |
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| 50 | surface_dim, |
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| 51 | cluster_rg, |
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| 52 | primary_rg); |
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| 53 | } |
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