Package nMOLDYN :: Package Analysis :: Module Scattering |
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# Module Scattering

source code

    Collections of classes for the determination of scattering-related properties.

    Classes:
        * DynamicCoherentStructureFactor           : sets up a Dynamic Coherent Structure Factor analysis.
        * DynamicCoherentStructureFactorARModel    : sets up a Dynamic Coherent Structure Factor analysis using an Auto Regressive model.
        * DynamicIncoherentStructureFactor         : sets up an Dynamic Incoherent Structure Factor analysis.
        * DynamicIncoherentStructureFactorGaussian : sets up an Dynamic Incoherent Structure Factor analysis using a Gaussian approximation.
        * IncoherentStructureFactorARModel         : sets up an Dynamic Incoherent Structure Factor analysis using an Auto Regressive model.
        * ElasticIncoherentStructureFactor         : sets up an Elastic Incoherent Structure Factor analysis.
        * StaticCoherentStructureFactor            : sets up a Static Coherent Structure Factor analysis.

    Procedures:
        * DynamicStructureFactor : returns the Dynamic Structure Factor.

Classes | [hide private]
| DynamicCoherentStructureFactor Sets up a Dynamic Coherent Structure Factor analysis.
| StaticCoherentStructureFactor Sets up a Coherent Structure Factor analysis.
| DynamicCoherentStructureFactorAR Sets up a Dynamic Coherent Structure Factor analysis using an Auto Regressive model.
| DynamicIncoherentStructureFactor Sets up an Dynamic Incoherent Structure Factor analysis.
| DynamicIncoherentStructureFactorAR Sets up an Dynamic Incoherent Structure Factor analysis using an Auto Regressive model.
| DynamicIncoherentStructureFactorGaussian Sets up an Dynamic Incoherent Structure Factor analysis within Gaussian approximation.
| ElasticIncoherentStructureFactor Sets up an Elastic Incoherent Structure Factor.
| SmoothedStaticCoherentStructureFactor Sets up an Smoothed Static Coherent Structure Factor.

Functions | [hide private]
DynamicStructureFactor(netcdf, alpha) Computes the dynamic structure factor from an intermediate scattering function. | source code

Function Details | [hide private]

### DynamicStructureFactor(netcdf, alpha) | source code
Computes the dynamic structure factor from an intermediate scattering function. Parameters: `netcdf` (string or instance of _NetCDFFile) - the intermediate scattering function from which the dynamic structure factor will be computed.. `alpha` (float) - the width, in percentage of the trajectory length, of the gaussian used in the smoothing procedure.