SaveVulcanGSS dialog.
Table of Contents
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| InputWorkspace | Input | MatrixWorkspace | Mandatory | Focussed diffraction workspace to be exported to GSAS file. |
| BinFilename | Input | string | Mandatory | Name of a data file containing the bin boundaries in Log(TOF). Allowed extensions: [‘.dat’] |
| OutputWorkspace | Output | MatrixWorkspace | Mandatory | Name of rebinned matrix workspace. |
| GSSFilename | Input | string | Mandatory | Name of the output GSAS file. Allowed extensions: [‘.gda’] |
| IPTS | Input | number | 0 | IPTS number |
| GSSParmFileName | Input | string | GSAS parameter file name for this GSAS data file. |
This algorithm is to export a MatrixWorkspace to a GSAS data file, which is close enough to the GSAS file generated from VULCAN’s V-drive.
V-drive uses a different bin other than Mantid does. Besides, IDL’s rebin algorithm is different from Mantid’s.
Example - Save GSAS file in V-drive style:
import os
dataws = Load(Filename="focussed.nxs")
dataws.setTitle("Test")
dataws = ConvertUnits(InputWorkspace=dataws, Target="TOF", EMode="Elastic", AlignBins=False)
file_name = "testvulcan.gda"
path = os.path.join(os.path.expanduser("~"), file_name)
gsaws = SaveVulcanGSS(InputWorkspace=dataws, BinFilename="vdrive_log_bin.dat", GSSFilename=path, IPTS=1234, GSSParmFileName="mock.prm")
gfile = open(path, "r")
lines = gfile.readlines()
gfile.close()
print "[GSAS File Start]"
for i in xrange(11):
print lines[i].rstrip()
print "... ..."
Output:
[GSAS File Start]
Test
Instrument parameter file: mock.prm
#IPTS: 1234
#binned by: Mantid
#GSAS file name: testvulcan.gda
#GSAS IPARM file: mock.prm
#Pulsestart: 0
#Pulsestop: 0
BANK 2 2487 2487 SLOG 5000.0 59998.0 0.0010005 0 FXYE
5000.0 531.6 23.06
5005.0 530.0 23.02
... ...
Categories: Algorithms | Diffraction | Utility
Python: SaveVulcanGSS.py