def save_workspaces(self, workspaces_to_save=None):
"""
Use the private method _get_workspaces_to_save to get a list of workspaces that are present in the ADS to save
to the directory that was passed at object creation time, it will also add each of them to the output_list
private instance variable on the WorkspaceSaver class.
:param workspaces_to_save: List of Strings; The workspaces that are to be saved to the project.
"""
# Handle getting here and nothing has been given passed
if workspaces_to_save is None:
return
for workspace_name in workspaces_to_save:
# Get the workspace from the ADS
workspace = ADS.retrieve(workspace_name)
place_to_save_workspace = os.path.join(self.directory, workspace_name)
from mantid.simpleapi import SaveMD, SaveNexusProcessed
try:
if isinstance(workspace, MDHistoWorkspace) or isinstance(workspace, IMDEventWorkspace):
# Save normally using SaveMD
SaveMD(InputWorkspace=workspace_name, Filename=place_to_save_workspace + ".nxs")
else:
# Save normally using SaveNexusProcessed
SaveNexusProcessed(InputWorkspace=workspace_name, Filename=place_to_save_workspace + ".nxs")
except Exception:
logger.warning("Couldn't save workspace in project: " + workspace)
self.output_list.append(workspace_name)
def validate(self):
results = 'SCDR_output'
reference = 'SingleCrystalDiffuseReduction.nxs'
Load(Filename=reference,OutputWorkspace=reference)
checker = AlgorithmManager.create("CompareMDWorkspaces")
checker.setLogging(True)
checker.setPropertyValue("Workspace1",results)
checker.setPropertyValue("Workspace2",reference)
checker.setPropertyValue("Tolerance", "1e-7")
checker.execute()
if checker.getPropertyValue("Equals") != "1":
print(" Workspaces do not match, result: ",checker.getPropertyValue("Result"))
print(self.__class__.__name__)
SaveMD(InputWorkspace=results,Filename=self.__class__.__name__+'-mismatch.nxs')
return False
return True
def validate(self):
results = 'CMRSCMD_output_HKL'
reference = 'ConvertMultipleRunsToSingleCrystalMD_HKL.nxs'
Load(Filename=reference,OutputWorkspace=reference)
checker = AlgorithmManager.create("CompareMDWorkspaces")
checker.setLogging(True)
checker.setPropertyValue("Workspace1",results)
checker.setPropertyValue("Workspace2",reference)
checker.setPropertyValue("Tolerance", "1e-5")
checker.setPropertyValue("IgnoreBoxID", "1")
checker.execute()
if checker.getPropertyValue("Equals") != "1":
print(" Workspaces do not match, result: ",checker.getPropertyValue("Result"))
print(self.__class__.__name__)
SaveMD(InputWorkspace=results,Filename=self.__class__.__name__+'-mismatch.nxs')
return False
return True
SolidAngle='/SNS/CORELLI/shared/Vanadium/2016B/SolidAngle20160720NoCC.nxs',
Flux='/SNS/CORELLI/shared/Vanadium/2016B/Spectrum20160720NoCC.nxs',
UBMatrix="/SNS/CORELLI/IPTS-15526/shared/benzil_Hexagonal.mat",
OutputWorkspace='benzil_300k',
SetGoniometer=True,
Axis0="BL9:Mot:Sample:Axis1,0,1,0,1",
Uproj='1,1,0',
Vproj='1,-1,0',
Wproj='0,0,1',
BinningDim0='-7.525,7.525,301',
BinningDim1='-13.16875,13.16875,301',
BinningDim2='-3.1,3.1,31',
SymmetryOps="P 31 2 1")
#Plot2DMD(mtd['benzil_300k'],'/SNS/users/rwp/corelli/IPTS-15526-Benzil/benzil_300k.png',vmin=0,vmax=1e-5,cmap='hot')
SaveMD('benzil_300k','/SNS/users/rwp/corelli/IPTS-15526-Benzil/benzil_300k.nxs')
SingleCrystalDiffuseReduction(Filename=','.join('/SNS/CORELLI/IPTS-15526/shared/autoreduce/CORELLI_'+str(run)+'_elastic.nxs' for run in range(29782,29818)),
Background='/SNS/CORELLI/IPTS-15796/shared/autoreduce/CORELLI_28124_elastic.nxs',
BackgroundScale=0.95,
SolidAngle='/SNS/CORELLI/shared/Vanadium/2016B/SolidAngle20160720NoCC.nxs',
Flux='/SNS/CORELLI/shared/Vanadium/2016B/Spectrum20160720NoCC.nxs',
UBMatrix="/SNS/CORELLI/IPTS-15526/shared/benzil_Hexagonal.mat",
OutputWorkspace='benzil_300k_elastic',
SetGoniometer=True,
Axis0="BL9:Mot:Sample:Axis1,0,1,0,1",
Uproj='1,1,0',
Vproj='1,-1,0',
Wproj='0,0,1',
BinningDim0='-7.525,7.525,301',
BinningDim1='-13.16875,13.16875,301',
mtd['__ws'].run().getGoniometer().getR())
convertToHKL('__ws',
OutputWorkspace=data,
UB=ub,
Append=True,
Uproj=Uproj,
Vproj=Vproj,
Wproj=Wproj,
BinningDim0=BinningDim0,
BinningDim1=BinningDim1,
BinningDim2=BinningDim2)
convertToHKL('cal',
OutputWorkspace=norm,
UB=ub,
Append=True,
Uproj=Uproj,
Vproj=Vproj,
Wproj=Wproj,
scale=mtd['__ws'].run().getProtonCharge(),
BinningDim0=BinningDim0,
BinningDim1=BinningDim1,
BinningDim2=BinningDim2)
DeleteWorkspace('__ws')
SaveMD(
data, iptsdir + 'shared/{}_MDH_{}_to_{}_every_{}.nxs'.format(
data, first_run, last_run, load_every))
SaveMD(
norm, iptsdir + 'shared/{}_MDH_{}_to_{}_every_{}.nxs'.format(
norm, first_run, last_run, load_every))
from mantid.simpleapi import SaveMD
windows = 4
hostnames = ['ndav1.sns.gov', 'ndav2.sns.gov','ndav3.sns.gov']
node_numbers = windows * len(hostnames)
try:
window = int(os.environ['WINDOW'])
except KeyError:
exit("Run in screen")
if window >= windows:
exit("window out of range")
try:
hostname = hostnames.index(os.environ['HOSTNAME'])
except ValueError:
exit("Hostname not in list")
node = hostname * windows + window
print("Node {} out of {}".format(node, node_numbers))
all_runs = range(4756,6557+1)
runs = np.array_split(all_runs, node_numbers)[node]
for run in runs:
in_file = '/HFIR/HB2C/IPTS-7776/nexus/HB2C_{}.nxs.h5'.format(run)
out_file = '/SNS/snfs1/testing/ndav/rwp/PNO/HB2C_{}_MDE.nxs'.format(run)
SaveMD(convertToQSample(loadIntegrateData(in_file)), out_file)
LoadHistory=False,
OutputWorkspace='__md')
except ValueError:
filename = iptsdir + 'nexus/HB2C_{}.nxs.h5'.format(run)
LoadWAND(filename, OutputWorkspace='__ws')
ConvertToMD('__ws',
QDimensions='Q3D',
dEAnalysisMode='Elastic',
Q3DFrames='Q_sample',
OutputWorkspace='__md',
MinValues='-10,-1,-10',
MaxValues='10,1,10')
accumulateMD('__md', OutputWorkspace=name_MDE)
SaveMD(
name_MDE, iptsdir + 'shared/' + name +
'_MDE_{}_to_{}_every_{}.nxs'.format(first_run, last_run, load_every))
# Convert MD Event workspace to MD Histo workspace
name_MDH = name + '_MDH'
BinMD(InputWorkspace=name_MDE,
AlignedDim0='Q_sample_x,' + BinningDim0,
AlignedDim1='Q_sample_y,' + BinningDim1,
AlignedDim2='Q_sample_z,' + BinningDim2,
OutputWorkspace=name_MDH)
SaveMD(
name_MDH, iptsdir + 'shared/' + name +
'_MDH_{}_to_{}_every_{}.nxs'.format(first_run, last_run, load_every))