From 869b4a640161a893bdc566dec475dba9bdaec68d Mon Sep 17 00:00:00 2001
From: Peter Parker <peter.parker@stfc.ac.uk>
Date: Thu, 19 Jul 2012 15:46:52 +0100
Subject: [PATCH] Refs #5300 #5412 - Changes to Muscat and Moments from Spencer
---
.../PythonAPI/PythonAlgorithms/Moments.py | 5 ++-
.../PythonAPI/PythonAlgorithms/MuscatData.py | 9 ++--
.../PythonAPI/PythonAlgorithms/MuscatFunc.py | 10 ++---
.../scripts/Inelastic/IndirectDataAnalysis.py | 2 +-
.../scripts/Inelastic/IndirectMoment.py | 12 +++---
.../scripts/Inelastic/IndirectMuscat.py | 42 ++++++++-----------
6 files changed, 38 insertions(+), 42 deletions(-)
diff --git a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/Moments.py b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/Moments.py
index b9b9961a1b7..ecd882ff29e 100644
--- a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/Moments.py
+++ b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/Moments.py
@@ -14,6 +14,7 @@ class Moments(PythonAlgorithm):
self.declareProperty(Name='SamNumber',DefaultValue='',Validator=MandatoryValidator(),Description = 'Sample run number')
self.declareProperty(Name='EnergyMin', DefaultValue=-0.5,Description = 'Minimum energy for fit. Default=-0.5')
self.declareProperty(Name='EnergyMax', DefaultValue=0.5,Description = 'Maximum energy for fit. Default=0.5')
+ self.declareProperty(Name='MultiplyBy', DefaultValue=1.0,Description = 'Scale factor to multiply S(Q,w). Default=1.0')
self.declareProperty('Verbose',DefaultValue=True,Description = 'Switch Verbose Off/On')
self.declareProperty('Plot',DefaultValue=True,Description = 'Switch Plot Off/On')
self.declareProperty('Save',DefaultValue=False,Description = 'Switch Save result to nxs file Off/On')
@@ -33,10 +34,12 @@ class Moments(PythonAlgorithm):
emin = self.getPropertyValue('EnergyMin')
emax = self.getPropertyValue('EnergyMax')
erange = [float(emin), float(emax)]
+ factor = self.getPropertyValue('MultiplyBy')
+ factor = float(factor)
verbOp = self.getProperty('Verbose')
plotOp = self.getProperty('Plot')
saveOp = self.getProperty('Save')
- Main.MomentStart(inType,sam,erange,verbOp,plotOp,saveOp)
+ Main.MomentStart(inType,sam,erange,factor,verbOp,plotOp,saveOp)
mantid.registerPyAlgorithm(Moments()) # Register algorithm with Mantid
diff --git a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatData.py b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatData.py
index 9f18cfb32a7..4014b0db8ec 100644
--- a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatData.py
+++ b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatData.py
@@ -52,7 +52,7 @@ class MuscatData(PythonAlgorithm):
NMST = self.getPropertyValue('Nms')
JRAND = 12345
MRAND = 67890
- neut = [NRUN1, NRUN2, JRAND, MRAND, NMST]
+ neut = [int(NRUN1), int(NRUN2), int(JRAND), int(MRAND), int(NMST)]
HEIGHT = 3.0
alfa = self.getPropertyValue('DetAngle')
@@ -60,15 +60,14 @@ class MuscatData(PythonAlgorithm):
WIDTH = self.getPropertyValue('Width')
HEIGHT = self.getPropertyValue('Height')
if geom == 'Flat':
- beam = [THICK, WIDTH, HEIGHT, float(alfa)]
+ beam = [float(THICK), float(WIDTH), float(HEIGHT), float(alfa)]
if geom == 'Cyl':
- beam = [THICK, WIDTH, HEIGHT, 0.0] #beam = [WIDTH, WIDTH2, HEIGHT, 0.0]
+ beam = [float(THICK), float(WIDTH), float(HEIGHT), 0.0] #beam = [WIDTH, WIDTH2, HEIGHT, 0.0]
dens = self.getPropertyValue('Density')
sigb = self.getPropertyValue('SigScat')
siga = self.getPropertyValue('SigAbs')
- sigss=sigb
temp = self.getPropertyValue('Temperature')
- sam = [temp, dens, siga, sigb]
+ sam = [float(temp), float(dens), float(siga), float(sigb)]
kr1 = 1
verbOp = self.getProperty('Verbose')
diff --git a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatFunc.py b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatFunc.py
index 5fc3239277c..028b96c7840 100644
--- a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatFunc.py
+++ b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/MuscatFunc.py
@@ -60,7 +60,7 @@ class MuscatFunc(PythonAlgorithm):
NMST = self.getPropertyValue('Nms')
JRAND = 12345
MRAND = 67890
- neut = [NRUN1, NRUN2, JRAND, MRAND, NMST]
+ neut = [int(NRUN1), int(NRUN2), int(JRAND), int(MRAND), int(NMST)]
HEIGHT = 3.0
alfa = self.getPropertyValue('DetAngle')
@@ -68,21 +68,21 @@ class MuscatFunc(PythonAlgorithm):
WIDTH = self.getPropertyValue('Width')
HEIGHT = self.getPropertyValue('Height')
if geom == 'Flat':
- beam = [THICK, WIDTH, HEIGHT, float(alfa)]
+ beam = [float(THICK), float(WIDTH), float(HEIGHT), float(alfa)]
if geom == 'Cyl':
- beam = [THICK, WIDTH, HEIGHT, 0.0] #beam = [WIDTH, WIDTH2, HEIGHT, 0.0]
+ beam = [float(THICK), float(WIDTH), float(HEIGHT), 0.0] #beam = [WIDTH, WIDTH2, HEIGHT, 0.0]
dens = self.getPropertyValue('Density')
sigb = self.getPropertyValue('SigScat')
siga = self.getPropertyValue('SigAbs')
sigss=sigb
temp = self.getPropertyValue('Temperature')
- sam = [temp, dens, siga, sigb]
+ sam = [float(temp), float(dens), float(siga), float(sigb)]
NQ = self.getPropertyValue('NQ')
dQ = self.getPropertyValue('dQ')
Nw = self.getPropertyValue('NW')
dw = self.getPropertyValue('dW') #in microeV
- grid = [NQ, dQ, Nw, dw]
+ grid = [int(NQ), float(dQ), int(Nw), float(dw)]
c1 = self.getPropertyValue('Coeff1')
c2 = self.getPropertyValue('Coeff2')
c3 = self.getPropertyValue('Coeff3')
diff --git a/Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py b/Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py
index 8ca949b8afd..9209c85e5a7 100644
--- a/Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py
+++ b/Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py
@@ -613,7 +613,7 @@ def plotInput(inputfiles,spectra=[]):
layer = graph.activeLayer().setTitle(", ".join(workspaces))
##############################################################################
-# AppCorr
+# Corrections
##############################################################################
def CubicFit(inputWS, spec, Verbose=False):
diff --git a/Code/Mantid/scripts/Inelastic/IndirectMoment.py b/Code/Mantid/scripts/Inelastic/IndirectMoment.py
index 17c897ce26c..80e13a0f82b 100644
--- a/Code/Mantid/scripts/Inelastic/IndirectMoment.py
+++ b/Code/Mantid/scripts/Inelastic/IndirectMoment.py
@@ -1,12 +1,10 @@
# Transmission main
#
from IndirectImport import *
-
from mantid.simpleapi import *
from mantid import config, logger, mtd
from IndirectCommon import *
import math, numpy, os.path
-
mp = import_mantidplot()
def CheckElimits(erange,Xin):
@@ -32,7 +30,7 @@ def CheckElimits(erange,Xin):
logger.notice('ERROR *** ' + error)
sys.exit(error)
-def MomentRun(samWS,erange,Verbose,Plot,Save):
+def MomentRun(samWS,erange,factor,Verbose,Plot,Save):
StartTime('Moments')
workdir = config['defaultsave.directory']
nq,nw = CheckHistZero(samWS)
@@ -51,6 +49,10 @@ def MomentRun(samWS,erange,Verbose,Plot,Save):
nw = len(Xin)-1
if Verbose:
logger.notice('Energy range is '+str(Xin[0])+' to '+str(Xin[nw]))
+ if factor > 0.0:
+ Scale(InputWorkspace=samWS, OutputWorkspace=samWS, Factor=factor, Operation='Multiply')
+ if Verbose:
+ logger.notice('S(q,w) scaled by '+str(factor))
w = Xin[:nw]
yM0 = []
yM1 = []
@@ -97,7 +99,7 @@ def MomentPlot(inputWS,Plot):
m0_plot=mp.plotSpectrum(inputWS+'_M0',0)
m2_plot=mp.plotSpectrum([inputWS+'_M2',inputWS+'_M4'],0)
-def MomentStart(inType,sname,erange,Verbose,Plot,Save):
+def MomentStart(inType,sname,erange,factor,Verbose,Plot,Save):
workdir = config['defaultsave.directory']
if inType == 'File':
spath = os.path.join(workdir, sname+'.nxs') # path name for sample nxs file
@@ -105,4 +107,4 @@ def MomentStart(inType,sname,erange,Verbose,Plot,Save):
LoadNexusProcessed(Filename=spath, OutputWorkspace=sname)
else:
logger.notice('Input from Workspace : '+sname)
- MomentRun(sname,erange,Verbose,Plot,Save)
\ No newline at end of file
+ MomentRun(sname,erange,factor,Verbose,Plot,Save)
\ No newline at end of file
diff --git a/Code/Mantid/scripts/Inelastic/IndirectMuscat.py b/Code/Mantid/scripts/Inelastic/IndirectMuscat.py
index 2dea102a983..9f822081763 100644
--- a/Code/Mantid/scripts/Inelastic/IndirectMuscat.py
+++ b/Code/Mantid/scripts/Inelastic/IndirectMuscat.py
@@ -74,22 +74,22 @@ def CheckCoeff(disp,coeff):
sys.exit(error)
def CheckQw(grid):
- nq = int(grid[0])
+ nq = grid[0]
if nq == 0:
error = 'Grid : Number of Q values is zero'
logger.notice('ERROR *** '+error)
sys.exit(error)
- nw = int(grid[2])
+ nw = grid[2]
if nw == 0:
error = 'Grid : Number of w values is zero'
logger.notice('ERROR *** '+error)
sys.exit(error)
- dq = float(grid[1])
+ dq = grid[1]
if dq < 1e-5:
error = 'Grid : Q increment is zero'
logger.notice('ERROR *** '+error)
sys.exit(error)
- dw = float(grid[3])*0.001
+ dw = grid[3]*0.001
if dw < 1e-8:
error = 'Grid : w increment is zero'
logger.notice('ERROR *** '+error)
@@ -111,27 +111,18 @@ def CreateSqw(disp,coeff,grid,Verbose):
def ReadSqw(sqw,Verbose):
logger.notice('Reading S(q,w) from workspace : '+sqw)
- Sqw_in = []
- nq = mtd[sqw].getNumberHistograms() # no. of hist/groups in sample
- if nq == 0:
- error = 'Sqw : Number of q histograms is zero'
- logger.notice('ERROR *** '+error)
- sys.exit(error)
+ nq,nw = CheckHistZero(sqw)
axis = mtd[sqw].getAxis(1)
Q = []
for i in range(0,nq):
Q.append(float(axis.label(i)))
Q_in = PadArray(Q,500)
+ Sqw_in = []
for n in range(0,nq):
Xw = mtd[sqw].readX(n) # energy array
Ys = mtd[sqw].readY(n) # S(q,w) values
Ys = PadArray(Ys,1000) # pad to Fortran energy size 1000
Sqw_in.append(Ys)
- nw = len(Xw)-1 # no. points from length of x array
- if nw == 0:
- error = 'Sqw : Number of w values is zero'
- logger.notice('ERROR *** '+error)
- sys.exit(error)
dw = Xw[2]-Xw[1]
if dw < 1e-8:
error = 'Sqw : w increment is zero'
@@ -158,40 +149,40 @@ def ReadSqw(sqw,Verbose):
def CheckNeut(neut):
# neut = [NRUN1, NRUN2, JRAND, MRAND, NMST]
- if neut[0] == '0':
+ if neut[0] == 0:
error = 'NRUN1 is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
- if neut[1] == '0':
+ if neut[1] == 0:
error = 'NRUN2 is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
- if neut[4] == '0':
+ if neut[4] == 0:
error = 'Number scatterings is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
def CheckBeam(beam):
# beam = [THICK, WIDTH, HEIGHT, alfa]
- if float(beam[0]) <1e-5:
+ if beam[0] <1e-5:
error = 'Beam thickness is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
- if float(beam[1]) <1e-5:
+ if beam[1] <1e-5:
error = 'Beam width is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
- if float(beam[2]) <1e-5:
+ if beam[2] <1e-5:
error = 'Beam height is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
def CheckSam(sam):
- if float(sam[1]) <1e-8:
+ if sam[1] <1e-8:
error = 'Sample density is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
- if (float(sam[2])+float(sam[3])) <1e-8:
+ if (sam[2]+sam[3]) <1e-8:
error = 'Sample total scattering cross-section (scat+abs) is Zero'
logger.notice('ERROR *** ' + error)
sys.exit(error)
@@ -201,6 +192,7 @@ def MuscatRun(sname,geom,neut,beam,sam,sqw,kr1,Verbose,Plot,Save):
# beam = [THICK, WIDTH, HEIGHT, alfa]
# sam = [temp, dens, siga, sigb]
workdir = config['defaultsave.directory']
+ hist,npt = CheckHistZero(sname)
CheckNeut(neut)
CheckBeam(beam)
CheckSam(sam)
@@ -233,9 +225,9 @@ def MuscatRun(sname,geom,neut,beam,sam,sqw,kr1,Verbose,Plot,Save):
lsqw = len(sqw)
nq,dq,Q_in,nw,dw,nel,Xw,Sqw_in = ReadSqw(sqw,Verbose)
# ims = [NMST, NQ, NW, Nel, KR1]
- nmst = int(neut[4])
+ nmst = neut[4]
ims = [neut[4], nq, nw, nel, 1]
- nw2 = 2*int(ims[2])+1
+ nw2 = 2*ims[2]+1
# dqw = [DQ, DW]
dqw = [dq, dw]
sname = sname[:-4]
--
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