Table of Contents
Name | Direction | Type | Default | Description |
---|---|---|---|---|
Filename | Input | string | Mandatory | File path for data. Allowed extensions: [‘.cdl’, ‘.dat’] |
Functions | Input | str list | Names of functions to attempt to load from file | |
OutputWorkspace | Output | Workspace | Mandatory | Output workspace name |
This algorithm is a loader from simulation data saved by version 3 of the nMOLDYN package, simulations can be loaded form either a plain ASCII (.dat) file or .cdl file.
Currently this supports loading and functions from .cdl files, from .dat files and any 2D function (such as density of states) from .dat files.
Note
To run these usage examples please first download the usage data, and add these to your path. In MantidPlot this is done using Manage User Directories.
Example - Loading a simulation from a CDL file.
out_ws_group = LoadNMoldyn3Ascii(Filename='NaF_DISF.cdl',
Functions=['Fqt-total', 'Sqw-total'])
for ws_name in out_ws_group.getNames():
print ws_name
Output:
NaF_DISF_Fqt-total
NaF_DISF_Sqw-total
Categories: Algorithms | Inelastic\DataHandling | Simulation
Python: LoadNMoldyn3Ascii.py