LoadNMoldyn4Ascii dialog.
Table of Contents
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| Directory | Input | string | Mandatory | Path to directory containg .dat files |
| Functions | Input | str list | Names of functions to attempt to load from file | |
| OutputWorkspace | Output | Workspace | Mandatory | Output workspace name |
Loads data from version 4 of nMOLDYN saved in the ASCII format after being extracted from the .tar archive.
Functions can be provided with ot without the comma between multiple dependant variables, for example a function names f(q,t_H) in nMOLDYN can be loaded using either f(q,t)_H or f(qt)_H as a function name in this algorithm.
The Directory property must be given the directory that is produced when you extract the .tar archive from nMOLDYN without modifications which must only contain the data files produces from a single export operation from nMOLDYN.
When loading certain axis from nMOLDYN 4 the units may be converted to an equivalent unit in Mantid. The possible conversions are shown in the table below:
| nMOLDYN | Mantid | ||
|---|---|---|---|
| name | unit | name | unit |
| frequency | THz | Energy | meV |
| q | nm**-1 | MomentumTransfer | Angstrom**-1 |
| Time | pSecond | TOF | uSecond |
Example - Loading a simulation from a nMOLDYN 4 data file.
data = LoadNMoldyn4Ascii(Directory='~/nmoldyn4_data',
Functions=['sqf_total', 'iqt_total'])
for ws in data:
print ws.name()
Output:
sqf_total
iqt_total
Categories: Algorithms | Inelastic\DataHandling | Simulation
Python: LoadNMoldyn4Ascii.py