Package nMOLDYN :: Package Analysis :: Module Analysis :: Class QVectors |
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# 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.