Changes in sasmodels/models/bcc_paracrystal.py [69e1afc:925ad6e] in sasmodels
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/models/bcc_paracrystal.py
r69e1afc r925ad6e 79 79 be accurate. 80 80 81 .. figure:: img/ parallelepiped_angle_definition.png81 .. figure:: img/bcc_angle_definition.png 82 82 83 Orientation of the crystal with respect to the scattering plane, when 84 $\theta = \phi = 0$ the $c$ axis is along the beam direction (the $z$ axis). 83 Orientation of the crystal with respect to the scattering plane. 85 84 86 85 References … … 100 99 """ 101 100 102 from numpy import inf , pi101 from numpy import inf 103 102 104 103 name = "bcc_paracrystal" … … 123 122 ["sld", "1e-6/Ang^2", 4, [-inf, inf], "sld", "Particle scattering length density"], 124 123 ["sld_solvent", "1e-6/Ang^2", 1, [-inf, inf], "sld", "Solvent scattering length density"], 125 ["theta", "degrees", 60, [- 360, 360], "orientation", "c axis to beamangle"],126 ["phi", "degrees", 60, [- 360, 360], "orientation", "rotation about beam"],127 ["psi", "degrees", 60, [- 360, 360], "orientation", "rotation about c axis"]124 ["theta", "degrees", 60, [-inf, inf], "orientation", "In plane angle"], 125 ["phi", "degrees", 60, [-inf, inf], "orientation", "Out of plane angle"], 126 ["psi", "degrees", 60, [-inf, inf], "orientation", "Out of plane angle"] 128 127 ] 129 128 # pylint: enable=bad-whitespace, line-too-long … … 142 141 psi_pd=15, psi_pd_n=0, 143 142 ) 144 # april 6 2017, rkh add unit tests, NOT compared with any other calc method, assume correct!145 # add 2d test later146 q =4.*pi/220.147 tests = [148 [{ },149 [0.001, q, 0.215268], [1.46601394721, 2.85851284174, 0.00866710287078]],150 [{'theta':20.0,'phi':30,'psi':40.0},(-0.017,0.035),2082.20264399 ],151 [{'theta':20.0,'phi':30,'psi':40.0},(-0.081,0.011),0.436323144781 ]152 ]
Note: See TracChangeset
for help on using the changeset viewer.