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===== Running the computation ===== | ===== Running the computation ===== | ||
+ | |||
+ | <code> | ||
+ | RAYS | ||
+ | integer | ||
+ | </code> | ||
+ | |||
+ | - sets total number of rays to be casted. Value around 10000 should be fine for beams of radius around 10. Set to unity if you want to understand better what is happenning, ideally with increasing verbosity level and decreasing the beam radius. Default value is 1. | ||
<code> | <code> | ||
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<code> | <code> | ||
- | RAYS | + | SCAN_THETA |
- | integer | + | 90.01 91.5 0.01 |
</code> | </code> | ||
- | - sets total number of rays to be casted. Value around 10000 should be fine for beams of radius around 10. Set to unity if you want to understand better what is happenning, ideally with increasing verbosity level and decreasing the beam radius. Default value is 1. | + | Do multiple calculation to scan across some theta range, with given step. |
+ | |||
+ | |||
+ | <code> | ||
+ | NORMALIZE | ||
+ | double int | ||
+ | </code> | ||
+ | |||
+ | - normalizes result by value obtained at given angle for given material. | ||
+ | |||
+ | |||
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- sets the local averaging radius for local plane (surface normal) evaluation. Default value is 2. This option is not used if a minimal inteface method is used. Note that for very small incident angles averaging might be problematic (see also Interface method). | - sets the local averaging radius for local plane (surface normal) evaluation. Default value is 2. This option is not used if a minimal inteface method is used. Note that for very small incident angles averaging might be problematic (see also Interface method). | ||
- | <code> | ||
- | INTERFACE_METHOD | ||
- | integer | ||
- | </code> | ||
- | - sets the surface/interface normal calculation method, 0 - simple weighing, 1 - RS, 2 - gradient based, 3 - minimal (single voxel). Simple weighting gives slightly wrong angles and should not be used, RS method provides local plane fitting, gradient method is an approximate method using gradient of material within the sample, minimal method only looks to adjacent voxels and therefore can only produce normals of individual voxel faces. All the averaging based methods may fail at large angles hitting edges of objects (where real staircased object normal is too much different from averaged one); if it fails algorithm automatically uses the minimal method for the particular reflection/transmission. Default value is 2. | ||
<code> | <code> | ||
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Creates periodic BC. If optimization is requested, end boundary is shifted towards making it periodic with respect of incident signal wavelength and angles. | Creates periodic BC. If optimization is requested, end boundary is shifted towards making it periodic with respect of incident signal wavelength and angles. | ||
- | <code> | ||
- | SIMPLE | ||
- | 0/1 | ||
- | </code> | ||
- | |||
- | Run simple calculation according to Bedzyk, X-ray Standing wave techniques, assuming that material 2 is the reflecting one, and the XSW is in z. Material and data below surface plane have no meaning and are not evaluated. | ||
- | |||
- | <code> | ||
- | MEGASIMPLE | ||
- | 0/1 matindex | ||
- | </code> | ||
- | |||
- | Run megasimple calculation according to Bedzyk, X-ray Standing wave techniques, assuming that material 2 is the reflecting one, and the XSW is in z. Only single material is evaluated. Not all the vector commands work properly. | ||
- | |||
- | <code> | ||
- | SCAN_THETA | ||
- | 90.01 91.5 0.01 | ||
- | </code> | ||
- | |||
- | Do multiple calculation to scan across some theta range, with given step. | ||
- | |||
- | |||
- | <code> | ||
- | NORMALIZE | ||
- | double int | ||
- | </code> | ||
- | |||
- | - normalizes result by value obtained at given angle for given material. | ||
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{{ :centerednotcentered.png?400 |}} | {{ :centerednotcentered.png?400 |}} | ||
- | {{ :normals.png?400 |}} | + |