Package nMOLDYN :: Package Analysis :: Module Analysis :: Class QVectors
[hide private]
[frames] | no frames]

Class QVectors

source code

Generates a set of QVectors within a given shell.

Instance Methods [hide private]
 
__init__(self, universe, generator, qRadii, dq, qVectorsPerShell, qVectorsDirection=None)
The constructor.
source code
 
__isotropicGeneration(self, qRadius, qMin, qMax) source code
 
__anisotropicGeneration(self, qRadius, qMin, qMax) source code
 
__makeRandomQList(self, qRadius, qMin, qMax) source code
 
__makeExplicitQList(self, qRadius, qMin, qMax) source code
Method Details [hide private]

__init__(self, universe, generator, qRadii, dq, qVectorsPerShell, qVectorsDirection=None)
(Constructor)

source code 

The constructor.

Parameters:
  • universe (a MMTK.Universe subclass object) - the MMTK universe used to define the reciprocal space.
  • generator (string) - a string being one of '3d isotropic', '2d isotropic' or 'anistropic' the way the q-vectors should be generated.
  • qRadii (list) - a list of floats specifying the radii of the shell in which the q vectors have to be generated.
  • dq (float) - a float specifying the width of a qhsell defined as [|qRadius| - dq/2,|qRadius|+dq/2].
  • qVectorsPerShell (integer) - an integer specifying the number of q-vectors to generate for each shell.
  • qVectorsDirection (list) - a list of Scientific.Geometry.Vector objects specifying the directions along which the q-vectors should be generated. If None, the q-vectors generation will be isotropic.