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SaveIsawPeaks v1¶

Summary ¶

Save a PeaksWorkspace to a ISAW-style ASCII .peaks file.

Properties ¶

Name	Direction	Type	Default	Description
InputWorkspace	Input	PeaksWorkspace	Mandatory	An input PeaksWorkspace with an instrument.
AppendFile	Input	boolean	False	Append to file if true. If false, new file (default).
Filename	Input	string	Mandatory	Path to an ISAW-style peaks or integrate file to save. Allowed extensions: [‘.peaks’, ‘.integrate’]
ProfileWorkspace	Input	Workspace2D		An optional Workspace2D of profiles from integrating cylinder.
RenumberPeaks	Input	boolean	False	If true, sequential peak numbers If false, keep original numbering (default).

Description ¶

Save a PeaksWorkspace to a ISAW-style ASCII .peaks file.

The PeaksWorkspace consists of individual Peaks, each of which has an individual PeakShape relating to the way the workspace has been integrated. The PeakShape information is not saved out in the ISAW peaks format. To save the full peak information, use the NeXus format SaveNexus.

Usage ¶

import os

# Prepare a PeaksWorkspace to save.

# Create a run workspace
ws = CreateSampleWorkspace()
# Create a peaks workspace
pws = CreatePeaksWorkspace(ws)

# Add two peaks to the peaks workspace
AddPeak( pws, ws, TOF=100, DetectorID=101, Height=1 )
AddPeak( pws, ws, TOF=200, DetectorID=102, Height=2 )
peak = pws.getPeak(1).setPeakNumber(2)
peak = pws.getPeak(2).setPeakNumber(3)

# Save the peaks workspace to a file in the user's home directory
isawPeaksFilePath = os.path.expanduser('~/MantidUsageExample_ISawFile.peaks')
SaveIsawPeaks( pws, isawPeaksFilePath )

# Read the saved file back in
f = open( isawPeaksFilePath, 'r' )
file = f.read().split('\n')
f.close()

# Print out 11 first lines of the peaks file, skipping line #8 because it's
# different on different systems and breaks tests
for line in file[:9]:
    # print the line stripping any ending white spaces
    print(line.rstrip())
for line in file[10:12]:
    # print the line stripping any ending white spaces
    print(line.rstrip())

Output ¶

Version: 2.0  Facility: Unknown  Instrument: basic_rect  Date: 1990-01-01T00:00:01
       L1    T0_SHIFT
1000.0000       0.000
DETNUM  NROWS  NCOLS   WIDTH   HEIGHT   DEPTH   DETD   CenterX   CenterY   CenterZ    BaseX    BaseY    BaseZ      UpX      UpY      UpZ
    1     10     10  8.0000  8.0000   0.2000 500.00    0.0000    0.0000  500.0000  1.00000  0.00000  0.00000  0.00000  1.00000  0.00000
    2     10     10  8.0000  8.0000   0.2000 1000.00    0.0000    0.0000 1000.0000  1.00000  0.00000  0.00000  0.00000  1.00000  0.00000
NRUN DETNUM     CHI      PHI    OMEGA       MONCNT
   0      1    0.00     0.00     0.00            0
 SEQN    H    K    L     COL      ROW     CHAN        L2   2_THETA        AZ         WL         D      IPK       INTI    SIGI  RFLG
    2    0    0    0    0.00     1.00      100   500.001   0.00160   1.57080   0.026374   16.4835        0       1.00    1.00   310
    3    0    0    0    0.00     2.00      200   500.003   0.00320   1.57080   0.052747   16.4835        0       2.00    1.41   310

Categories: AlgorithmIndex | Crystal\DataHandling | DataHandling\Isaw