diff --git a/Code/Mantid/Framework/Kernel/CMakeLists.txt b/Code/Mantid/Framework/Kernel/CMakeLists.txt index 6063c3d3ff9b93b9a1069cb4091ef12fa9d24dae..e60d22d53aab342ec93b3d98f893171e4dc70d85 100644 --- a/Code/Mantid/Framework/Kernel/CMakeLists.txt +++ b/Code/Mantid/Framework/Kernel/CMakeLists.txt @@ -106,7 +106,7 @@ set ( SRC_UNITY_IGNORE_FILES src/Atom.cpp src/FileValidator.cpp src/DirectoryValidator.cpp src/PropertyManager.cpp - src/Unit.cpp + src/Unit.cpp src/System.cpp ) @@ -356,9 +356,9 @@ enable_precompiled_headers ( inc/MantidKernel/PrecompiledHeader.h SRC_FILES ) # Add the target for this directory add_library ( Kernel ${SRC_FILES} ${INC_FILES} ) # Set the name of the generated library -set_target_properties ( Kernel PROPERTIES OUTPUT_NAME MantidKernel +set_target_properties ( Kernel PROPERTIES OUTPUT_NAME MantidKernel COMPILE_DEFINITIONS "IN_MANTID_KERNEL;PSAPI_VERSION=1" ) - + # Add to the 'Framework' group in VS set_property ( TARGET Kernel PROPERTY FOLDER "MantidFramework" ) @@ -375,7 +375,7 @@ add_subdirectory ( test ) ########################################################################### # DON'T try to update the MantidVersion source file if we were not able to -# determine it from git and the file already exists. This makes sure the +# determine it from git and the file already exists. This makes sure the # version number is correct when building off the source tarball if ( NOT NOT_GIT_REPO OR NOT EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/src/MantidVersion.cpp ) @@ -388,7 +388,7 @@ endif () # This section deals with creating the ParaViewVersion implementation ########################################################################### configure_file ( ${CMAKE_CURRENT_SOURCE_DIR}/src/ParaViewVersion.cpp.in - ${CMAKE_CURRENT_SOURCE_DIR}/src/ParaViewVersion.cpp + ${CMAKE_CURRENT_SOURCE_DIR}/src/ParaViewVersion.cpp ) ########################################################################### @@ -408,7 +408,7 @@ set ( PV_PLUGINS "./pvplugins" ) set ( IGNORE_PARAVIEW "0" ) set ( QTPLUGINS "." ) set ( PYTHONPLUGIN_DIRS "${MANTID_ROOT}/Framework/PythonInterface/plugins" ) -set ( DATADIRS ${MANTID_ROOT}/../../Test/AutoTestData;${MANTID_ROOT}/instrument ) +set ( DATADIRS ${MANTID_ROOT}/../../Test/AutoTestData;${MANTID_ROOT}/../../Test/AutoTestData/UsageData;${MANTID_ROOT}/instrument ) set ( COLORMAPS_FOLDER ${MANTID_ROOT}/Installers/colormaps/ ) SET ( MANTIDPUBLISHER "http://upload.mantidproject.org/scriptrepository/payload/publish_debug" ) @@ -461,7 +461,7 @@ configure_file ( ../Properties/Mantid.properties.template # Then, at build time, copy into appropriate place add_custom_command ( TARGET Kernel POST_BUILD - COMMAND ${CMAKE_COMMAND} ARGS -E copy_if_different + COMMAND ${CMAKE_COMMAND} ARGS -E copy_if_different ${CMAKE_CURRENT_BINARY_DIR}/Mantid.properties ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR} ) @@ -528,6 +528,6 @@ endif () configure_file ( ../Properties/Mantid.properties.template ${CMAKE_CURRENT_BINARY_DIR}/Mantid.properties.install ) -install ( FILES ${CMAKE_CURRENT_BINARY_DIR}/Mantid.properties.install +install ( FILES ${CMAKE_CURRENT_BINARY_DIR}/Mantid.properties.install DESTINATION ${BIN_DIR} RENAME Mantid.properties ) diff --git a/Code/Mantid/docs/source/algorithms/DiffractionFocussing-v2.rst b/Code/Mantid/docs/source/algorithms/DiffractionFocussing-v2.rst index dfa15b287e056a44d9c335309ca8a2e9f19d5a18..a765a7ca6ab02b3d6db3c01121552930e178e1d2 100644 --- a/Code/Mantid/docs/source/algorithms/DiffractionFocussing-v2.rst +++ b/Code/Mantid/docs/source/algorithms/DiffractionFocussing-v2.rst @@ -50,6 +50,63 @@ means that you can rebin the resulting spectra to finer bins with no loss of data. In fact, it is unnecessary to bin your incoming data at all; binning can be performed as the very last step. +Usage +----- + +.. include:: ../usagedata-note.txt + +**Example - Diffraction focussing of HRPD data:** + +.. testcode:: ExHRPDFocussing + + # Load HRP dataset + ws = Load("HRP39180.RAW") + + # specify groupping file, here using CalFile format + cal_file = "hrpd_new_072_01_corr.cal" + + # For HRPD data, perform a unit convertion TOF->d-spacing, taking into account detector position offsets + ws = AlignDetectors(InputWorkspace='ws',CalibrationFile=cal_file) + # Focus the data + ws = DiffractionFocussing(InputWorkspace='ws',GroupingFileName=cal_file) + + print("The 51st y-value is: %.3f" % ws.readY(0)[50]) + +.. testcleanup:: ExHRPDFocussing + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExHRPDFocussing + + The 51st y-value is: 900.709 + +**Example - Demonstrating option PreserveEvents:** + +.. testcode:: ExEventFocussing + + # create event workspace with one bank of 4 detectors + ws = CreateSampleWorkspace(WorkspaceType="Event", XUnit="dSpacing", NumBanks=1, BankPixelWidth=2) + + # focus data in 4 spectra to 2 spectra according to .cal file and don't perserve events + ws = DiffractionFocussing(InputWorkspace='ws', GroupingFileName="4detector_cal_example_file.cal" \ + , PreserveEvents=False) + + print "Number of focussed spectra: " + str(ws.getNumberHistograms()) + print "What type is the workspace after focussing: " + str(type(ws)) + +.. testcleanup:: ExEventFocussing + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExEventFocussing + + Number of focussed spectra: 2 + What type is the workspace after focussing: <class 'mantid.api._api.MatrixWorkspace'> + Previous Versions ----------------- diff --git a/Code/Mantid/docs/source/algorithms/Fit-v1.rst b/Code/Mantid/docs/source/algorithms/Fit-v1.rst index c4fd9e80cc7d85694919e068a45da828698a98ca..405db213df1b6bce1708e74b5bfdcfa6660a4ffa 100644 --- a/Code/Mantid/docs/source/algorithms/Fit-v1.rst +++ b/Code/Mantid/docs/source/algorithms/Fit-v1.rst @@ -129,7 +129,7 @@ In case of a composite function the variable name must refer to both the parameter name and the simple function it belongs to. It is done by writing the variable name in the following format: -``f``\ \ ``.``\ +``f``\ \ ``.``\ The format consists of two parts separated by a period '.'. The first part defines the function by its index in the composite function @@ -268,4 +268,59 @@ Gaussians tied: Gaussian2Fit\_Ties.jpg +Usage +----- + +**Example - Fit a Gaussian to a peak in a spectrum:** + +.. testcode:: ExFitPeak + + # create a workspace with a gaussian peak sitting on top of a linear (here flat) background + ws = CreateSampleWorkspace(Function="User Defined", UserDefinedFunction="name=LinearBackground, \ + A0=0.3;name=Gaussian, PeakCentre=5, Height=10, Sigma=0.7", NumBanks=1, BankPixelWidth=1, XMin=0, XMax=10, BinWidth=0.1) + + # Setup the data to fit: + workspaceIndex = 0 # the spectrum with which WorkspaceIndex to fit + startX = 1 # specify fitting region + endX = 9 # + + # Setup the model, here a Gaussian, to fit to data + tryCentre = '4' # A start guess on peak centre + sigma = '1' # A start guess on peak width + height = '8' # A start guess on peak height + myFunc = 'name=Gaussian, Height='+height+', PeakCentre='+tryCentre+', Sigma='+sigma + # here purposely haven't included a linear background which mean fit will not be spot on + # to include a linear background uncomment the line below + #myFunc = 'name=LinearBackground, A0=0.3;name=Gaussian, Height='+height+', PeakCentre='+tryCentre+', Sigma='+sigma + + # Do the fitting + fitStatus, chiSq, covarianceTable, paramTable, fitWorkspace = Fit(InputWorkspace='ws', \ + WorkspaceIndex=0, StartX = startX, EndX=endX, Output='fit', Function=myFunc) + + print "The fit was: " + fitStatus + print("chi-squared of fit is: %.2f" % chiSq) + print("Fitted Height value is: %.2f" % paramTable.column(1)[0]) + print("Fitted centre value is: %.2f" % paramTable.column(1)[1]) + print("Fitted sigma value is: %.2f" % paramTable.column(1)[2]) + # fitWorkspace contains the data, the calculated and the difference patterns + print "Number of spectra in fitWorkspace is: " + str(fitWorkspace.getNumberHistograms()) + print("The 20th y-value of the calculated pattern: %.4f" % fitWorkspace.readY(1)[19]) + +.. testcleanup:: ExFitPeak + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExFitPeak + + The fit was: success + chi-squared of fit is: 0.14 + Fitted Height value is: 9.79 + Fitted centre value is: 5.05 + Fitted sigma value is: 0.77 + Number of spectra in fitWorkspace is: 3 + The 20th y-value of the calculated pattern: 0.2361 + + .. categories:: diff --git a/Code/Mantid/docs/source/algorithms/Load-v1.rst b/Code/Mantid/docs/source/algorithms/Load-v1.rst index 5f45da409026ae958c588842dbeccb24e1492f25..d6fe705bb35382e604e9d6f8566019a3f905d057 100644 --- a/Code/Mantid/docs/source/algorithms/Load-v1.rst +++ b/Code/Mantid/docs/source/algorithms/Load-v1.rst @@ -26,4 +26,89 @@ about these properties until it has been told the filename and found the correct loader. Once this has happened the properties of the specific Load algorithm are redeclared on to that copy of Load. +Usage +----- + +.. include:: ../usagedata-note.txt + +**Example - Load ISIS histogram Nexus file:** +(see `LoadISISNexus <http://www.mantidproject.org/LoadISISNexus>`_ for more options) + +.. testcode:: ExLoadISISnexusHist + + # Load ISIS LOQ histogram dataset + ws = Load('LOQ49886.nxs') + + print "The 1st x-value of the first spectrum is: " + str(ws.readX(0)[0]) + +.. testcleanup:: ExLoadISISnexusHist + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadISISnexusHist + + The 1st x-value of the first spectrum is: 5.0 + +**Example - Load SNS/ISIS event Nexus file:** +(see `LoadEventNexus <http://www.mantidproject.org/LoadEventNexus>`_ for more options) + +.. testcode:: ExLoadEventNexus + + # Load SNS HYS event dataset + ws = Load('HYS_11092_event.nxs') + + print "The number of histograms (spectra) is: " + str(ws.getNumberHistograms()) + +.. testcleanup:: ExLoadEventNexus + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadEventNexus + + The number of histograms (spectra) is: 20480 + +**Example - Load ISIS Muon file:** +(see `LoadMuonNexus <http://www.mantidproject.org/LoadMuonNexus>`_ for more options) + +.. testcode:: ExLoadISISMuon + + # Load ISIS multiperiod muon MUSR dataset + ws = Load('MUSR00015189.nxs') + + print "The number of periods (entries) is: " + str(ws[0].getNumberOfEntries()) + +.. testcleanup:: ExLoadISISMuon + + DeleteWorkspace(ws[0]) + +Output: + +.. testoutput:: ExLoadISISMuon + + The number of periods (entries) is: 2 + +**Example - Load Mantid processed Nexus file ISIS:** +(see `LoadNexusProcessed <http://www.mantidproject.org/LoadNexusProcessed>`_ for more options) + +.. testcode:: ExLoadNexusProcessedWithLoad + + # Load Mantid processed GEM data file + ws = Load('focussed.nxs') + + print "The number of histograms (spectra) is: " + str(ws.getNumberHistograms()) + +.. testcleanup:: ExLoadNexusProcessedWithLoad + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadNexusProcessedWithLoad + + The number of histograms (spectra) is: 6 + .. categories:: diff --git a/Code/Mantid/docs/source/algorithms/LoadISISNexus-v2.rst b/Code/Mantid/docs/source/algorithms/LoadISISNexus-v2.rst index 9f4fde83c6fa01d37768d4a566266937c978d75e..c0a2bb50ea146481f20ddd6488394d16f9023ad6 100644 --- a/Code/Mantid/docs/source/algorithms/LoadISISNexus-v2.rst +++ b/Code/Mantid/docs/source/algorithms/LoadISISNexus-v2.rst @@ -11,4 +11,66 @@ Description Loads a Nexus file created from an ISIS instrument. +Usage +----- + +.. include:: ../usagedata-note.txt + +**Example - Load without any optional arguments:** + +.. testcode:: ExLoadISISnexus + + # Load LOQ histogram dataset + ws = LoadISISNexus('LOQ49886.nxs') + + print "The 1st x-value of the first spectrum is: " + str(ws.readX(0)[0]) + +.. testcleanup:: ExLoadISISnexus + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadISISnexus + + The 1st x-value of the first spectrum is: 5.0 + +**Example - Using SpectrumMin and SpectrumMax:** + +.. testcode:: ExLoadSpectrumMinMax + + # Load from LOQ data file spectrum 2 to 3. + ws = LoadISISNexus('LOQ49886.nxs',SpectrumMin=2,SpectrumMax=3) + + print "The number of histograms (spectra) is: " + str(ws.getNumberHistograms()) + +.. testcleanup:: ExLoadSpectrumMinMax + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadSpectrumMinMax + + The number of histograms (spectra) is: 2 + +**Example - Using EntryNumber:** + +.. testcode:: ExLoadEntryNumber + + # Load first period of multiperiod POLREF data file + ws = LoadISISNexus('POLREF00004699.nxs', EntryNumber=1) + + print "The number of histograms (spectra) is: " + str(ws.getNumberHistograms()) + +.. testcleanup:: ExLoadEntryNumber + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadEntryNumber + + The number of histograms (spectra) is: 246 + .. categories:: diff --git a/Code/Mantid/docs/source/algorithms/LoadNexus-v1.rst b/Code/Mantid/docs/source/algorithms/LoadNexus-v1.rst index e1c313753f78cbc23fdcd59c72bf50e99fe1e46a..f5fd03f275f8e426f4855f6a2d79e5f202ef0f2b 100644 --- a/Code/Mantid/docs/source/algorithms/LoadNexus-v1.rst +++ b/Code/Mantid/docs/source/algorithms/LoadNexus-v1.rst @@ -24,4 +24,70 @@ which spectra are loaded into the workspace. If spectrum\_min and spectrum\_max are given, then only that range to data will be loaded. If a spectrum\_list is given than those values will be loaded. +Usage +----- + +.. include:: ../usagedata-note.txt + +**Example - Load ISIS histogram Nexus file:** +(see `LoadISISNexus <http://www.mantidproject.org/LoadISISNexus>`_ for more options) + +.. testcode:: ExLoadISISnexus + + # Load LOQ histogram dataset + ws = LoadNexus('LOQ49886.nxs') + + print "The 1st x-value of the first spectrum is: " + str(ws.readX(0)[0]) + +.. testcleanup:: ExLoadISISnexus + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadISISnexus + + The 1st x-value of the first spectrum is: 5.0 + +**Example - Load ISIS Muon file:** +(see `LoadMuonNexus <http://www.mantidproject.org/LoadMuonNexus>`_ for more options) + +.. testcode:: ExLoadISISMuon + + # Load ISIS multiperiod muon MUSR dataset + ws = LoadNexus('MUSR00015189.nxs') + + print "The number of periods (entries) is: " + str(ws[0].getNumberOfEntries()) + +.. testcleanup:: ExLoadISISMuon + + DeleteWorkspace(ws[0]) + +Output: + +.. testoutput:: ExLoadISISMuon + + The number of periods (entries) is: 2 + +**Example - Load Mantid processed Nexus file ISIS:** +(see `LoadNexusProcessed <http://www.mantidproject.org/LoadNexusProcessed>`_ for more options: + +.. testcode:: ExLoadNexusProcessedWithLoadNexus + + # Load Mantid processed GEM data file + ws = LoadNexus('focussed.nxs') + + print "The number of histograms (spectra) is: " + str(ws.getNumberHistograms()) + +.. testcleanup:: ExLoadNexusProcessedWithLoadNexus + + DeleteWorkspace(ws) + +Output: + +.. testoutput:: ExLoadNexusProcessedWithLoadNexus + + The number of histograms (spectra) is: 6 + + .. categories:: diff --git a/Code/Mantid/docs/source/usagedata-note.txt b/Code/Mantid/docs/source/usagedata-note.txt new file mode 100644 index 0000000000000000000000000000000000000000..d133e4ca2d5aac9d77a16e9e3b6b69824c6e550e --- /dev/null +++ b/Code/Mantid/docs/source/usagedata-note.txt @@ -0,0 +1,5 @@ +.. note:: + + To run these usage example please first download the + `usage data <https://github.com/mantidproject/usagedata>`_, + and add these to your path. In MantidPlot this is done using `Manage User Directories <http://www.mantidproject.org/ManageUserDirectories>`_. diff --git a/Test/AutoTestData/UsageData/4detector_cal_example_file.cal b/Test/AutoTestData/UsageData/4detector_cal_example_file.cal new file mode 100644 index 0000000000000000000000000000000000000000..621129e8e6bd2ed8505a6427ae41a6bd2c3d67e5 --- /dev/null +++ b/Test/AutoTestData/UsageData/4detector_cal_example_file.cal @@ -0,0 +1,6 @@ +# Ariel detector file, written Sat Nov 24 16:52:56 2007 +# Format: number UDET offset select group + 0 4 0.0000000 1 1 + 1 5 0.0000000 1 1 + 2 6 0.0000000 1 2 + 3 7 0.0000000 1 2 diff --git a/Test/AutoTestData/UsageData/HRP39180.RAW b/Test/AutoTestData/UsageData/HRP39180.RAW new file mode 100644 index 0000000000000000000000000000000000000000..c4550ac2048ad6912913411682f5a856067f7bcd Binary files /dev/null and b/Test/AutoTestData/UsageData/HRP39180.RAW differ diff --git a/Test/AutoTestData/HYS_11092_event.nxs b/Test/AutoTestData/UsageData/HYS_11092_event.nxs similarity index 100% rename from Test/AutoTestData/HYS_11092_event.nxs rename to Test/AutoTestData/UsageData/HYS_11092_event.nxs diff --git a/Test/AutoTestData/LOQ49886.nxs b/Test/AutoTestData/UsageData/LOQ49886.nxs similarity index 100% rename from Test/AutoTestData/LOQ49886.nxs rename to Test/AutoTestData/UsageData/LOQ49886.nxs diff --git a/Test/AutoTestData/MUSR00015189.nxs b/Test/AutoTestData/UsageData/MUSR00015189.nxs similarity index 100% rename from Test/AutoTestData/MUSR00015189.nxs rename to Test/AutoTestData/UsageData/MUSR00015189.nxs diff --git a/Test/AutoTestData/POLREF00004699.nxs b/Test/AutoTestData/UsageData/POLREF00004699.nxs similarity index 100% rename from Test/AutoTestData/POLREF00004699.nxs rename to Test/AutoTestData/UsageData/POLREF00004699.nxs diff --git a/Test/AutoTestData/UsageData/README.md b/Test/AutoTestData/UsageData/README.md new file mode 100644 index 0000000000000000000000000000000000000000..5561c80bf2a1a0489bc46b30d05513d7f4d58705 --- /dev/null +++ b/Test/AutoTestData/UsageData/README.md @@ -0,0 +1,3 @@ +This directory should contain only the data files required to run the documentation usage tests. + +The files in here are zipped up and supplied to users for download in order that they may run the usage tests on the help pages. **Do not add files here unless absolutely necessary. First check whether an existing file will do the job. ** \ No newline at end of file diff --git a/Test/AutoTestData/focussed.nxs b/Test/AutoTestData/UsageData/focussed.nxs similarity index 100% rename from Test/AutoTestData/focussed.nxs rename to Test/AutoTestData/UsageData/focussed.nxs diff --git a/Test/AutoTestData/UsageData/hrpd_new_072_01_corr.cal b/Test/AutoTestData/UsageData/hrpd_new_072_01_corr.cal new file mode 100644 index 0000000000000000000000000000000000000000..9b148037f6a91a9f994e125738b94017acfb0009 --- /dev/null +++ b/Test/AutoTestData/UsageData/hrpd_new_072_01_corr.cal @@ -0,0 +1,2780 @@ +# Ariel detector file, written Sat Nov 24 16:52:56 2007 +# Format: number UDET offset select group + 0 1100 0.0000000 0 1 + 1 1101 0.0000000 0 1 + 2 1102 0.0000000 0 1 + 3 1103 0.0000000 0 1 + 4 1104 0.0000000 0 1 + 5 1105 0.0000000 0 1 + 6 1106 0.0000000 0 1 + 7 1107 0.0000000 0 1 + 8 1108 0.0000000 0 1 + 9 1109 0.0000000 0 1 + 10 1110 0.0000000 0 1 + 11 1111 0.0000000 0 1 + 12 1112 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