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Mantid::MDAlgorithms Namespace Reference

Namespaces

namespace  CnvrtToMD
 The class defines default axis names/dimension ID-s for MD workspace which can be obtained/used in the MD transformations converting matrix workspace to Q or Q-dE space.
 
namespace  LoadSQWHelper
 LoadSQW : Load an SQW file and read observations in as events to generate a IMDEventWorkspace, with events in reciprocal space (Qx, Qy, Qz)
 
namespace  MDAlgorithmsTestHelper
 

Classes

class  AccumulateMD
 AccumulateMD : Algorithm for appending new data to a MDHistoWorkspace. More...
 
class  AndMD
 AndMD : Perform the And boolean operation on two MDHistoWorkspaces. More...
 
class  ApplyDetailedBalanceMD
 ApplyDetailedBalance : Perform the And boolean operation on two MDHistoWorkspaces. More...
 
class  BaseConvertToDiffractionMDWorkspace
 BaseConvertToDiffractionMDWorkspace. More...
 
class  BinaryOperationMD
 Abstract base class for binary operations on IMDWorkspaces, e.g. More...
 
class  BinMD
 Take a MDEventWorkspace and bin it to a dense histogram in a MDHistoWorkspace. More...
 
class  BooleanBinaryOperationMD
 BooleanBinaryOperationMD : base class for boolean-type operations on MDHistoWorkspaces. More...
 
class  CalculateCoverageDGS
 CalculateCoverageDGS : Calculate coverage for single crystal direct geometry scattering. More...
 
struct  CellCoords
 Partition QLab space into a cubic lattice. More...
 
class  CentroidPeaksMD
 Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions. More...
 
class  CentroidPeaksMD2
 Find the centroid of single-crystal peaks in a MDEventWorkspace, in order to refine their positions. More...
 
class  ChangeQConvention
 Save a MDEventWorkspace to a .nxs file. More...
 
class  CloneMDWorkspace
 Algorithm to clone a MDEventWorkspace to a new one. More...
 
class  CompactMD
 
class  CompareMDWorkspaces
 Compare two MDWorkspaces for equality. More...
 
class  ConvertCWPDMDToSpectra
 ConvertCWPDMDToSpectra : Convert one MDWorkspaces containing reactor-source powder diffractometer's data to single spectrum matrix workspace by merging and binning the detectors' counts by their 2theta value. More...
 
class  ConvertCWSDExpToMomentum
 ConvertCWSDExpToMomentum : TODO: DESCRIPTION. More...
 
class  ConvertCWSDMDtoHKL
 ConvertCWSDMDtoHKL : TODO: DESCRIPTION. More...
 
class  ConvertHFIRSCDtoMDE
 ConvertHFIRSCDtoMDE : TODO: DESCRIPTION. More...
 
class  ConvertMDHistoToMatrixWorkspace
 Creates a single spectrum Workspace2D with X,Y, and E copied from an first non-integrated dimension of a IMDHistoWorkspace. More...
 
class  ConvertSpiceDataToRealSpace
 ConvertSpiceDataToRealSpace : Convert data from SPICE file to singals in real space contained in MDEventWrokspaces. More...
 
class  ConvertToDetectorFaceMD
 Convert a MatrixWorkspace containing to a MD workspace for viewing the detector face. More...
 
class  ConvertToDiffractionMDWorkspace
 ConvertToDiffractionMDWorkspace : Create a MDEventWorkspace with events in reciprocal space (Qx, Qy, Qz) from an input EventWorkspace. More...
 
class  ConvertToDiffractionMDWorkspace2
 ConvertToDiffractionMDWorkspace2 : Create a MDEventWorkspace with events in reciprocal space (Qx, Qy, Qz) from an input EventWorkspace. More...
 
class  ConvertToDiffractionMDWorkspace3
 ConvertToDiffractionMDWorkspace3 : Create a MDEventWorkspace with events in reciprocal space (Qx, Qy, Qz) from an input EventWorkspace. More...
 
class  ConvertToMD
 ConvertToMD : Transform a workspace into MD workspace with components defined by user. More...
 
class  ConvertToMDMinMaxGlobal
 ConvertToMDMinMaxGlobal : Algorithm to calculate limits for ConvertToMD transformation which can be observed using an instrument which covers whole MD-space The current version knows. More...
 
class  ConvertToMDMinMaxLocal
 ConvertToMDMinMaxLocal : Algorithm to calculate limits for ConvertToMD. More...
 
class  ConvertToMDParent
 ConvertToMDParent : Main part of two algorithms which use ConvertToMD factory to transform points from instrument space to physical MD space. More...
 
class  ConvToMDBase
 Class describes the interface to the methods, which perform conversion from usual workspaces to MDEventWorkspace. More...
 
class  ConvToMDEventsWS
 The class specializes ConvToDataObjectsBase for the case when the conversion occurs from Events WS to the MD events WS. More...
 
class  ConvToMDEventsWSIndexing
 This class creates the MDWorkspace from the collection of ToF events: converts to the MD events with proper Nd coordinate and than assigns the groups of them to the spatial tree-like box structure. More...
 
class  ConvToMDHistoWS
 The class to transform matrix workspace into MDEvent workspace when matrix workspace is ragged 2D workspace. More...
 
class  ConvToMDSelector
 small class to select proper solver as function of the workspace kind and (possibly, in a future) other workspace parameters. More...
 
class  CreateMD
 CreateMD : This workflow algorithm creates MDWorkspaces in the Q3D, HKL frame using ConvertToMD. More...
 
class  CreateMDHistoWorkspace
 CreateMDHistoWorkspace. More...
 
class  CreateMDWorkspace
 CreateMDWorkspace : More...
 
class  CutMD
 CutMD : Slices multidimensional workspaces. More...
 
class  DgsScatteredTransmissionCorrectionMD
 
class  DisabledProperty
 Small class to diable propery on interface. More...
 
class  DisplayNormalizationSetter
 DisplayNormalizationSetter: Sets the displaynormalization on a workspace based on several parameters such as workspace-type, energy-transfer-mode and if we are dealing with Q3D. More...
 
class  DivideMD
 DivideMD : divide operation for MDWorkspaces. More...
 
class  EqualToMD
 EqualToMD : boolean operation on MDHistoWorkspaces. More...
 
class  EvaluateMDFunction
 EvaluateMDFunction : TODO: DESCRIPTION. More...
 
class  ExponentialMD
 ExponentialMD : exponential function on MDHistoWorkspace. More...
 
class  FakeMDEventData
 FakeMDEventData : Algorithm to create fake multi-dimensional event data that gets added to MDEventWorkspace, for use in testing. More...
 
class  FindPeaksMD
 FindPeaksMD : TODO: DESCRIPTION. More...
 
class  FitMD
 Creates FunctionDomainMD from an IMDWorkspace. More...
 
class  FlippingRatioCorrectionMD
 FlippingRatioCorrectionMD : Algorithm to correct MDEvents for flipping ratio. More...
 
class  GetSpiceDataRawCountsFromMD
 GetSpiceDataRawCountsFromMD : Export raw detectors' counts or sample log values from IMDEventWorkspaces from the output of algorithm ConvertSpiceDataToRealSpace. More...
 
class  GreaterThanMD
 GreaterThanMD : boolean operation on MDHistoWorkspaces. More...
 
class  IDynamicRebinning
 Class provides commont interface for various classes performing rebinning operations;. More...
 
class  ImportMDEventWorkspace
 ImportMDEventWorkspace : Loads a file containing dimensionality and data for an MDEventWorkspace. More...
 
class  ImportMDHistoWorkspace
 ImportMDHistoWorkspace : Takes a text file containing structured signal and error information and imports it as a new MDHistoWorkspace. More...
 
class  ImportMDHistoWorkspaceBase
 ImportMDHistoWorkspaceBase : Base class for algorithms Importing data as MDHistoWorkspaces. More...
 
struct  InputArgument
 Local type to group min, max extents with a dimension index. More...
 
class  Integrate3DEvents
 This is a low-level class to construct a map with lists of events near each peak Q-vector, shifted to be centered at (0,0,0). More...
 
class  IntegrateEllipsoids
 
class  IntegrateEllipsoidsTwoStep
 IntegrateEllipsoidsTwoStep provides a two pass peak integration algorithm. More...
 
class  IntegrateEllipsoidsV1
 
class  IntegrateEllipsoidsV2
 
class  IntegrateFlux
 Algorithm IntegrateFlux. More...
 
class  IntegrateMDHistoWorkspace
 IntegrateMDHistoWorkspace : Algorithm to perform axis aligned integration of an MDHistoWorkspace. More...
 
class  IntegratePeaksCWSD
 Integrate single-crystal peaks in reciprocal-space. More...
 
class  IntegratePeaksMD
 Integrate single-crystal peaks in reciprocal-space. More...
 
class  IntegratePeaksMD2
 Integrate single-crystal peaks in reciprocal-space. More...
 
class  IntegratePeaksMDHKL
 Integrate single-crystal peaks in reciprocal-space. More...
 
class  IntegrateQLabEvents
 This is a low-level class to construct a map with lists of events near each peak Q-vector in the lab frame. More...
 
struct  IntegrationParameters
 
class  InvalidParameter
 Invalid parameter type. More...
 
class  InvalidParameterParser
 XML Parser for invalid parameter types. More...
 
struct  LessThanIndex
 Comparator to allow sorting by dimension index. More...
 
class  LessThanMD
 LessThanMD : boolean operation on MDHistoWorkspaces. More...
 
class  LoadDNSSCD
 LoadDNSSCD : Load a list of DNS .d_dat files into a MDEventWorkspace. More...
 
class  LoadMD
 Load a .nxs file into a MDEventWorkspace. More...
 
class  LoadSQW
 
class  LoadSQW2
 
class  LogarithmMD
 LogarithmMD : natural logarithm of a MDHistoWorkspace. More...
 
class  LOOP
 
class  LOOP< 0 >
 
class  MaskMD
 MaskMD : Mask an MDWorkspace. More...
 
class  MDEventTreeBuilder
 Class to create the box structure of MDWorkspace. More...
 
class  MDEventWSWrapper
 
class  MDNorm
 MDNormalization : Bin single crystal diffraction or direct geometry inelastic data and calculate the corresponding statistical weight. More...
 
class  MDNormDirectSC
 MDNormSCD : Generate MD normalization for single crystal diffraction. More...
 
class  MDNormSCD
 MDNormSCD : Generate MD normalization for single crystal diffraction. More...
 
class  MDTransfAxisNames
 
class  MDTransfFactoryImpl
 Creates instances of concrete transformations into multidimensional (MD) coordinates. More...
 
class  MDTransfInterface
 Interface to set of sub-classes used by ConvertToMD algorithm and responsible for conversion of input workspace data into MD events. More...
 
class  MDTransfModQ
 Class responsible for conversion of input workspace data into proper number of output dimensions for ModQ case. More...
 
class  MDTransfNoQ
 Class responsible for conversion of input workspace data into proper number of output dimensions in NoQ case, when the data from a ws are just copied to MD WS. More...
 
class  MDTransfQ3D
 Class responsible for conversion of input workspace data into proper number of output dimensions for Q3D case. More...
 
class  MDWSDescription
 helper class describes the properties of target MD workspace, which should be obtained as the result of conversion algorithm. More...
 
class  MDWSTransform
 
class  MergeMD
 Merge several MDWorkspaces into one. More...
 
class  MergeMDFiles
 Algorithm to merge multiple MDEventWorkspaces from files that obey a common box format. More...
 
class  MinusMD
 MinusMD : minus operation for MDWorkspaces. More...
 
class  MultiplyMD
 MultiplyMD : multiplication operation for MDWorkspaces. More...
 
class  NotMD
 NotMD : boolean negation of a MDHistoWorkspace. More...
 
struct  OccupiedCell
 
class  OrMD
 OrMD : boolean operation on MDHistoWorkspaces. More...
 
class  PlusMD
 Sum two MDWorkspaces together. More...
 
class  PolarizationAngleCorrectionMD
 PolarizationAngleCorrection : Perform polarization angle correction to an MDEventWorkspace. More...
 
class  PowerMD
 PowerMD : raise a MDHistoWorkspace to a power. More...
 
class  PreprocessDetectorsToMD
 This is helper algorithm used to preprocess detector's positions namely to perform generic part of the transformation from a matrix workspace of a real instrument to physical MD workspace of an experimental results (e.g Q-space). More...
 
struct  Product
 Functor to compute the product of the set. More...
 
class  QueryMDWorkspace
 QueryMDWorkspace : Query an MDWorkspace in order to extract overview information as a table workspace. More...
 
class  RecalculateTrajectoriesExtents
 RecalculateTrajectoriesExtents : More...
 
class  ReplicateMD
 ReplicateMD : Algorithm header for ReplicateMD. More...
 
class  SaveIsawQvector
 SaveIsawQvector. More...
 
class  SaveMD
 Save a MDEventWorkspace to a .nxs file. More...
 
class  SaveMD2
 Save a MDEventWorkspace to a .nxs file. More...
 
class  SaveZODS
 Save a MDHistoWorkspace to a HDF5 format for use with the ZODS analysis software. More...
 
class  SetMDFrame
 SetMDFrame : This algorithm changes the MDFrame stored alongside the dimension of MDWorkspaes.The algorithm should primarily be used to introduce the correct MDFrame type to workspaces based on legacy files. More...
 
class  SetMDUsingMask
 Algorithm to set a MDHistoWorkspace in points determined by a mask boolean MDHistoWorkspace. More...
 
class  SimpleMDEvent
 
class  SliceMD
 Algorithm that can take a slice out of an original MDEventWorkspace while preserving all the events contained wherein. More...
 
class  SlicingAlgorithm
 Abstract Algorithm class that will be used by: BinMD and SliceMD and shares code for getting a slice from one workspace to another. More...
 
class  SmoothMD
 SmoothMD : Algorithm for smoothing MDHistoWorkspaces. More...
 
struct  Square
 Helper type to compute the square in-place. More...
 
class  ThresholdMD
 ThresholdMD : TODO: DESCRIPTION. More...
 
class  TransformMD
 Scale and/or offset the coordinates of a MDWorkspace. More...
 
class  TransposeMD
 TransposeMD : Transpose an MDWorkspace. More...
 
class  UnaryOperationMD
 Abstract base class for unary operations (e.g. More...
 
class  UnitsConversionHelper
 
class  UserFunctionMD
 A user defined function. More...
 
class  Vector3DParameter
 Vector3DParameter is abstract type implementing curiously recurring template pattern to implement common code associated with vector storage. More...
 
class  Vector3DParameterParser
 XML parser for vector value (3 elements) parameter types. More...
 
class  WeightedMeanMD
 WeightedMeanMD : Find the weighted mean of two MDWorkspaces. More...
 
class  XorMD
 XorMD : boolean operation on MDHistoWorkspaces. More...
 

Typedefs

using EventListMap = std::unordered_map< int64_t, std::vector< std::pair< std::pair< double, double >, Mantid::Kernel::V3D > > >
 
using fpAddData = void(MDEventWSWrapper::*)(const float *, const uint16_t *, const uint16_t *, const uint32_t *, const coord_t *, size_t) const
 signature for the internal templated function pointer to add data to an existing workspace More...
 
using fpCreateWS = void(MDEventWSWrapper::*)(const MDWSDescription &)
 signature for the internal templated function pointer to create workspace More...
 
using fpVoidMethod = void(MDEventWSWrapper::*)()
 signature to void templated function More...
 
using MDE = DataObjects::MDLeanEvent< 3 >
 Our MDLeanEvent dimension. More...
 
using MDTransf_const_sptr = std::shared_ptr< const MDTransfInterface >
 
using MDTransf_sptr = std::shared_ptr< MDTransfInterface >
 
using MDTransfFactory = Kernel::SingletonHolder< MDTransfFactoryImpl >
 The specialization of the SingletonHolder class that holds the MDTransformations Factory. More...
 
using PeakQMap = std::unordered_map< int64_t, Mantid::Kernel::V3D >
 
using SlimEvent = std::pair< std::pair< double, double >, V3D >
 
using SlimEvents = std::vector< SlimEvent >
 
using Strings = std::vector< std::string >
 The class which wraps MD Events factory and allow to work with a N-dimensional templated MDEvent workspace like usuall class with n-dimension as a parameter. More...
 
using VectorDoubleProperty = Kernel::PropertyWithValue< std::vector< double > >
 

Enumerations

enum  wsType { Matrix2DWS , EventWS , Undefined }
 

Functions

bool all_given (const std::vector< std::vector< double > > &params)
 
bool any_given (const std::vector< std::vector< double > > &params)
 
bool appearsInCurrentData (const std::string &data_source, std::vector< std::string > &current_data)
 Check if the named data source is in the vector of data currently in the workspace. More...
 
const std::size_t BUFF_SIZE (DIMS *sizeof(float))
 Constant for the size of the buffer to write to disk. More...
 
double calcualte2ThetaFromQ (const double &q, const double &wavelength)
 Calculate detector's 2theta value from Q 2theta = 2*asin(lambda*Q/(4pi)) More...
 
double calculate2Theta (const Kernel::V3D &detpos, const Kernel::V3D &samplepos)
 Calculate 2theta value of detector postion from sample position. More...
 
double calculate2ThetaFromD (const double &dspace, const double &wavelength)
 Calcualte detector's 2theta value from d-spacing value 2theta = 2*asin(lamba/2/d) More...
 
double calculateDspaceFrom2Theta (const double &twotheta, const double &wavelength)
 Calculate d-space value from detector's position (2theta/theta) and wavelength. More...
 
double calculateQFrom2Theta (const double &twotheta, const double &wavelength)
 Calculate Q value from detector's positin (2theta/theta) and wavelength q = 2 k sin(theta) = (4 pi)/(lambda) * sin(theta) More...
 
bool compareSimpleEvents (const SimpleMDEvent &self, const SimpleMDEvent &other)
 
template<size_t nd, size_t ond>
void copyEvent (const MDEvent< nd > &srcEvent, MDEvent< ond > &newEvent)
 Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions. More...
 
template<size_t nd, size_t ond>
void copyEvent (const MDEvent< nd > &srcEvent, MDEvent< ond > &newEvent, const uint16_t expInfoIndexOffset)
 Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions. More...
 
template<size_t nd, size_t ond>
void copyEvent (const MDLeanEvent< nd > &srcEvent, MDLeanEvent< ond > &newEvent)
 Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions. More...
 
template<size_t nd, size_t ond>
void copyEvent (const MDLeanEvent< nd > &srcEvent, MDLeanEvent< ond > &newEvent, const uint16_t expInfoIndexOffset)
 Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions. More...
 
bool MANTID_MDALGORITHMS_DLL dataExists (const std::string &data_name)
 Check if the named data source is an existing workspace or file. More...
 
const std::size_t DIMS (3)
 Q-vector is always three dimensional. More...
 
const std::string ELASTIC ("Elastic")
 This only works for diffraction. More...
 
constexpr double EMPTY_FLT () noexcept
 
double f_eval (double x, void *params)
 
double f_eval2 (double x, void *params)
 
bool fileExists (const std::string &filename)
 Test if a file with the given full path name exists. More...
 
std::string MANTID_MDALGORITHMS_DLL filterToExistingSources (std::vector< std::string > &input_data, std::vector< double > &psi, std::vector< double > &gl, std::vector< double > &gs, std::vector< double > &efix)
 Reduce the vector of input data to only data files and workspaces which can be found. More...
 
std::string MANTID_MDALGORITHMS_DLL filterToNew (std::vector< std::string > &input_data, std::vector< std::string > &current_data, std::vector< double > &psi, std::vector< double > &gl, std::vector< double > &gs, std::vector< double > &efix)
 Reduce the vector of input data to only data files and workspaces which are not found in the vector of data currently in the workspace. More...
 
std::vector< std::string > DLLExport findOriginalQUnits (const IMDWorkspace_const_sptr &inws, Mantid::Kernel::Logger &logger)
 Determine the original q units. More...
 
DLLExport std::vector< double > gaussianKernel (const double fwhm)
 
std::vector< std::string > getHistoricalDataSources (const API::WorkspaceHistory &ws_history, const std::string &create_alg_name, const std::string &accumulate_alg_name)
 Return a vector of the names of files and workspaces which have been previously added to the workspace. More...
 
int getIndexCount (PeaksWorkspace_sptr peakWorkspace)
 
int getSatelliteIndexCount (PeaksWorkspace_sptr peakWorkspace)
 
std::string GreaterThan ()
 
bool inRange (const double &xMin, const double &xMax, const double &val)
 
bool inRange (const std::pair< double, double > &range, const double &val)
 
void MANTID_MDALGORITHMS_DLL insertDataSources (const std::string &data_sources, std::unordered_set< std::string > &historical_data_sources)
 Extract names of data sources from workspace history and form a set of historical data sources. More...
 
template<class T >
bool isNaN (T val)
 Template to check if a variable equal to NaN. More...
 
std::string LessThan ()
 
std::string DLLExport makeAxisName (const Kernel::V3D &Dir, const std::vector< std::string > &QNames)
 function to build mslice-like axis name from the vector, which describes crystallographic direction along this axis More...
 
static const std::string MAXRECURSIONDEPTH ("20")
 
std::string noNormalisationOption ()
 Non-member defining the no normalisation option. More...
 
DLLExport std::vector< double > normaliseKernel (std::vector< double > kernel)
 
std::string numberOfEventsNormalisationOption ()
 Non-member defining the number of events normalisation option. More...
 
void MANTID_MDALGORITHMS_DLL padParameterVector (std::vector< double > &param_vector, const size_t grow_to_size)
 Pad vector of parameters to given length. More...
 
std::vector< std::string > MANTID_MDALGORITHMS_DLL parseDimensionNames (const std::string &names_string)
 
std::vector< std::string > MANTID_MDALGORITHMS_DLL parseNames (const std::string &names_string)
 
const std::string Q3D ("Q3D")
 Only convert to Q-vector. More...
 
DLLExport std::vector< double > renormaliseKernel (std::vector< double > kernel, const std::vector< bool > &validity)
 
static const std::string SPLITINTO ("2")
 
static const std::string SPLITTHRESHOLD ("500")
 
std::string DLLExport sprintfd (const double data, const double eps)
 creates string representation of the number with accuracy, cpecified by eps More...
 
size_t tryFetchDimensionIndex (const Mantid::API::IMDWorkspace_sptr &ws, const std::string &candidateNameOrId)
 Free helper function. More...
 
template<typename T >
std::string versus (T a, T b)
 Return a string "(a vs b)". More...
 
std::string volumeNormalisationOption ()
 Non-member defining the volume normalisation option. More...
 
Mantid::API::MDNormalization whichNormalisation (const std::string &strNormalisation)
 Non-member method to interpret an normalisation option. More...
 

Variables

const double BIGNUMBER = 1.0E100
 
bool DODEBUG = true
 
const signal_t THRESHOLD_SIGNAL = 0
 

Typedef Documentation

◆ EventListMap

using Mantid::MDAlgorithms::EventListMap = typedef std::unordered_map<int64_t, std::vector<std::pair<std::pair<double, double>, Mantid::Kernel::V3D> >>

Definition at line 54 of file Integrate3DEvents.h.

◆ fpAddData

using Mantid::MDAlgorithms::fpAddData = typedef void (MDEventWSWrapper::*)(const float *, const uint16_t *, const uint16_t *, const uint32_t *, const coord_t *, size_t) const

signature for the internal templated function pointer to add data to an existing workspace

Definition at line 38 of file MDEventWSWrapper.h.

◆ fpCreateWS

using Mantid::MDAlgorithms::fpCreateWS = typedef void (MDEventWSWrapper::*)(const MDWSDescription &)

signature for the internal templated function pointer to create workspace

Definition at line 41 of file MDEventWSWrapper.h.

◆ fpVoidMethod

using Mantid::MDAlgorithms::fpVoidMethod = typedef void (MDEventWSWrapper::*)()

signature to void templated function

Definition at line 35 of file MDEventWSWrapper.h.

◆ MDE

Our MDLeanEvent dimension.

Definition at line 119 of file ConvertToDiffractionMDWorkspace.cpp.

◆ MDTransf_const_sptr

using Mantid::MDAlgorithms::MDTransf_const_sptr = typedef std::shared_ptr<const MDTransfInterface>

Definition at line 211 of file MDTransfInterface.h.

◆ MDTransf_sptr

using Mantid::MDAlgorithms::MDTransf_sptr = typedef std::shared_ptr<MDTransfInterface>

Definition at line 210 of file MDTransfInterface.h.

◆ MDTransfFactory

The specialization of the SingletonHolder class that holds the MDTransformations Factory.

Definition at line 86 of file MDTransfFactory.h.

◆ PeakQMap

using Mantid::MDAlgorithms::PeakQMap = typedef std::unordered_map<int64_t, Mantid::Kernel::V3D>

Definition at line 56 of file Integrate3DEvents.h.

◆ SlimEvent

using Mantid::MDAlgorithms::SlimEvent = typedef std::pair<std::pair<double, double>, V3D>

Definition at line 63 of file IntegrateQLabEvents.h.

◆ SlimEvents

using Mantid::MDAlgorithms::SlimEvents = typedef std::vector<SlimEvent>

Definition at line 64 of file IntegrateQLabEvents.h.

◆ Strings

using Mantid::MDAlgorithms::Strings = typedef std::vector<std::string>

The class which wraps MD Events factory and allow to work with a N-dimensional templated MDEvent workspace like usuall class with n-dimension as a parameter.

Introduced to decrease code bloat and increase efficiency of methods and

algorithms, which use DataObjects write interface and run-time defined number of dimensions

Date
2011-28-12 vectors of strings are often used here

Definition at line 27 of file MDEventWSWrapper.h.

◆ VectorDoubleProperty

Definition at line 21 of file RecalculateTrajectoriesExtents.cpp.

Enumeration Type Documentation

◆ wsType

Enumerator
Matrix2DWS 
EventWS 
Undefined 

Definition at line 17 of file ConvToMDSelector.cpp.

Function Documentation

◆ all_given()

bool Mantid::MDAlgorithms::all_given ( const std::vector< std::vector< double > > &  params)

Definition at line 73 of file CreateMD.cpp.

Referenced by Mantid::MDAlgorithms::CreateMD::single_run().

◆ any_given()

bool Mantid::MDAlgorithms::any_given ( const std::vector< std::vector< double > > &  params)

Definition at line 56 of file CreateMD.cpp.

Referenced by Mantid::MDAlgorithms::CreateMD::single_run().

◆ appearsInCurrentData()

bool Mantid::MDAlgorithms::appearsInCurrentData ( const std::string &  data_source,
std::vector< std::string > &  current_data 
)

Check if the named data source is in the vector of data currently in the workspace.

Definition at line 128 of file AccumulateMD.cpp.

Referenced by filterToNew().

◆ BUFF_SIZE()

const std::size_t Mantid::MDAlgorithms::BUFF_SIZE ( DIMS sizeoffloat)

Constant for the size of the buffer to write to disk.

Referenced by Mantid::MDAlgorithms::SaveIsawQvector::exec().

◆ calcualte2ThetaFromQ()

double Mantid::MDAlgorithms::calcualte2ThetaFromQ ( const double &  q,
const double &  wavelength 
)
inline

Calculate detector's 2theta value from Q 2theta = 2*asin(lambda*Q/(4pi))

calcualte2ThetaFromQ

Parameters
q
wavelength
Returns

Definition at line 63 of file ConvertCWPDMDToSpectra.h.

◆ calculate2Theta()

double Mantid::MDAlgorithms::calculate2Theta ( const Kernel::V3D detpos,
const Kernel::V3D samplepos 
)
inline

Calculate 2theta value of detector postion from sample position.

calculate2Theta

Parameters
detpos
samplepos
Returns

Definition at line 74 of file ConvertCWPDMDToSpectra.h.

References Mantid::Kernel::V3D::angle().

Referenced by Mantid::MDAlgorithms::ConvertCWPDMDToSpectra::binMD(), and Mantid::MDAlgorithms::ConvertCWPDMDToSpectra::findXBoundary().

◆ calculate2ThetaFromD()

double Mantid::MDAlgorithms::calculate2ThetaFromD ( const double &  dspace,
const double &  wavelength 
)
inline

Calcualte detector's 2theta value from d-spacing value 2theta = 2*asin(lamba/2/d)

calculate2ThetaFromD

Parameters
dspace
wavelength
Returns

Definition at line 39 of file ConvertCWPDMDToSpectra.h.

◆ calculateDspaceFrom2Theta()

double Mantid::MDAlgorithms::calculateDspaceFrom2Theta ( const double &  twotheta,
const double &  wavelength 
)
inline

Calculate d-space value from detector's position (2theta/theta) and wavelength.

calculateDspaceFrom2Theta

Parameters
twotheta
wavelength
Returns

Definition at line 27 of file ConvertCWPDMDToSpectra.h.

Referenced by Mantid::MDAlgorithms::ConvertCWPDMDToSpectra::binMD(), and Mantid::MDAlgorithms::ConvertCWPDMDToSpectra::findXBoundary().

◆ calculateQFrom2Theta()

double Mantid::MDAlgorithms::calculateQFrom2Theta ( const double &  twotheta,
const double &  wavelength 
)
inline

Calculate Q value from detector's positin (2theta/theta) and wavelength q = 2 k sin(theta) = (4 pi)/(lambda) * sin(theta)

calculateQ

Parameters
twotheta
wavelength
Returns

Definition at line 51 of file ConvertCWPDMDToSpectra.h.

Referenced by Mantid::MDAlgorithms::ConvertCWPDMDToSpectra::binMD(), and Mantid::MDAlgorithms::ConvertCWPDMDToSpectra::findXBoundary().

◆ compareSimpleEvents()

bool Mantid::MDAlgorithms::compareSimpleEvents ( const SimpleMDEvent self,
const SimpleMDEvent other 
)

Definition at line 144 of file CompareMDWorkspaces.cpp.

◆ copyEvent() [1/4]

template<size_t nd, size_t ond>
void Mantid::MDAlgorithms::copyEvent ( const MDEvent< nd > &  srcEvent,
MDEvent< ond > &  newEvent 
)
inline

Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions.

Parameters
srcEvent:: the source event, being copied
newEvent:: the destination event

Definition at line 87 of file SliceMD.cpp.

References Mantid::DataObjects::MDEvent< nd >::getDetectorID(), Mantid::DataObjects::MDEvent< nd >::getExpInfoIndex(), Mantid::DataObjects::MDEvent< nd >::setDetectorId(), and Mantid::DataObjects::MDEvent< nd >::setExpInfoIndex().

◆ copyEvent() [2/4]

template<size_t nd, size_t ond>
void Mantid::MDAlgorithms::copyEvent ( const MDEvent< nd > &  srcEvent,
MDEvent< ond > &  newEvent,
const uint16_t  expInfoIndexOffset 
)
inline

Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions.

Parameters
srcEvent:: the source event, being copied
newEvent:: the destination event
expInfoIndexOffset:: offset to be added to the expInfoIndex

Definition at line 177 of file MergeMD.cpp.

References Mantid::DataObjects::MDEvent< nd >::getDetectorID(), Mantid::DataObjects::MDEvent< nd >::getExpInfoIndex(), Mantid::DataObjects::MDEvent< nd >::setDetectorId(), and Mantid::DataObjects::MDEvent< nd >::setExpInfoIndex().

◆ copyEvent() [3/4]

template<size_t nd, size_t ond>
void Mantid::MDAlgorithms::copyEvent ( const MDLeanEvent< nd > &  srcEvent,
MDLeanEvent< ond > &  newEvent 
)
inline

Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions.

Parameters
srcEvent:: the source event, being copied
newEvent:: the destination event

Definition at line 73 of file SliceMD.cpp.

References UNUSED_ARG.

◆ copyEvent() [4/4]

template<size_t nd, size_t ond>
void Mantid::MDAlgorithms::copyEvent ( const MDLeanEvent< nd > &  srcEvent,
MDLeanEvent< ond > &  newEvent,
const uint16_t  expInfoIndexOffset 
)
inline

Copy the extra data (not signal, error or coordinates) from one event to another with different numbers of dimensions.

Parameters
srcEvent:: the source event, being copied
newEvent:: the destination event
expInfoIndexOffset:: offset to be added to the expInfoIndex

Definition at line 161 of file MergeMD.cpp.

References UNUSED_ARG.

Referenced by Mantid::MDAlgorithms::MergeMD::doPlus(), and Mantid::MDAlgorithms::SliceMD::slice().

◆ dataExists()

bool Mantid::MDAlgorithms::dataExists ( const std::string &  data_name)

Check if the named data source is an existing workspace or file.

Definition at line 67 of file AccumulateMD.cpp.

References fileExists(), and Mantid::Kernel::SingletonHolder< T >::Instance().

Referenced by filterToExistingSources(), and Mantid::MDAlgorithms::CreateMD::validateInputs().

◆ DIMS()

const std::size_t Mantid::MDAlgorithms::DIMS ( )

◆ ELASTIC()

const std::string Mantid::MDAlgorithms::ELASTIC ( "Elastic"  )

◆ EMPTY_FLT()

constexpr double Mantid::MDAlgorithms::EMPTY_FLT ( )
constexprnoexcept

Definition at line 30 of file DgsScatteredTransmissionCorrectionMD.cpp.

◆ f_eval()

double Mantid::MDAlgorithms::f_eval ( double  x,
void *  params 
)

◆ f_eval2()

double Mantid::MDAlgorithms::f_eval2 ( double  x,
void *  params 
)

◆ fileExists()

bool Mantid::MDAlgorithms::fileExists ( const std::string &  filename)

Test if a file with the given full path name exists.

Definition at line 82 of file AccumulateMD.cpp.

Referenced by dataExists().

◆ filterToExistingSources()

std::string Mantid::MDAlgorithms::filterToExistingSources ( std::vector< std::string > &  input_data,
std::vector< double > &  psi,
std::vector< double > &  gl,
std::vector< double > &  gs,
std::vector< double > &  efix 
)

Reduce the vector of input data to only data files and workspaces which can be found.

Definition at line 46 of file AccumulateMD.cpp.

References dataExists().

Referenced by Mantid::MDAlgorithms::AccumulateMD::exec().

◆ filterToNew()

std::string Mantid::MDAlgorithms::filterToNew ( std::vector< std::string > &  input_data,
std::vector< std::string > &  current_data,
std::vector< double > &  psi,
std::vector< double > &  gl,
std::vector< double > &  gs,
std::vector< double > &  efix 
)

Reduce the vector of input data to only data files and workspaces which are not found in the vector of data currently in the workspace.

Definition at line 103 of file AccumulateMD.cpp.

References appearsInCurrentData().

Referenced by Mantid::MDAlgorithms::AccumulateMD::exec().

◆ findOriginalQUnits()

std::vector< std::string > Mantid::MDAlgorithms::findOriginalQUnits ( const IMDWorkspace_const_sptr inws,
Mantid::Kernel::Logger logger 
)

Determine the original q units.

Assumes first 3 dimensions by index are r,l,d

Parameters
inws: Input workspace to extract dimension info from
logger: logging object
Returns
vector of markers

Definition at line 199 of file CutMD.cpp.

References Mantid::Kernel::Logger::debug(), Mantid::MDAlgorithms::CutMD::InvAngstromSymbol, and Mantid::MDAlgorithms::CutMD::RLUSymbol.

Referenced by Mantid::MDAlgorithms::CutMD::exec().

◆ gaussianKernel()

KernelVector Mantid::MDAlgorithms::gaussianKernel ( const double  fwhm)

Definition at line 77 of file SmoothMD.cpp.

References normaliseKernel(), and sigma.

◆ getHistoricalDataSources()

std::vector< std::string > Mantid::MDAlgorithms::getHistoricalDataSources ( const API::WorkspaceHistory ws_history,
const std::string &  create_alg_name,
const std::string &  accumulate_alg_name 
)

Return a vector of the names of files and workspaces which have been previously added to the workspace.

Definition at line 144 of file AccumulateMD.cpp.

References Mantid::API::WorkspaceHistory::createView(), and insertDataSources().

Referenced by Mantid::MDAlgorithms::AccumulateMD::exec().

◆ getIndexCount()

int Mantid::MDAlgorithms::getIndexCount ( PeaksWorkspace_sptr  peakWorkspace)

◆ getSatelliteIndexCount()

int Mantid::MDAlgorithms::getSatelliteIndexCount ( PeaksWorkspace_sptr  peakWorkspace)

◆ GreaterThan()

std::string Mantid::MDAlgorithms::GreaterThan ( )

◆ inRange() [1/2]

bool Mantid::MDAlgorithms::inRange ( const double &  xMin,
const double &  xMax,
const double &  val 
)
inline

Definition at line 108 of file UnitsConversionHelper.cpp.

◆ inRange() [2/2]

bool Mantid::MDAlgorithms::inRange ( const std::pair< double, double > &  range,
const double &  val 
)
inline

◆ insertDataSources()

void Mantid::MDAlgorithms::insertDataSources ( const std::string &  data_sources,
std::unordered_set< std::string > &  historical_data_sources 
)

Extract names of data sources from workspace history and form a set of historical data sources.

Definition at line 179 of file AccumulateMD.cpp.

Referenced by getHistoricalDataSources().

◆ isNaN()

template<class T >
bool Mantid::MDAlgorithms::isNaN ( val)
inline

Template to check if a variable equal to NaN.

Definition at line 14 of file ConvToMDHistoWS.cpp.

Referenced by Mantid::MDAlgorithms::ConvToMDHistoWS::conversionChunk().

◆ LessThan()

std::string Mantid::MDAlgorithms::LessThan ( )

Definition at line 25 of file ThresholdMD.cpp.

Referenced by Mantid::MDAlgorithms::ThresholdMD::init().

◆ makeAxisName()

std::string Mantid::MDAlgorithms::makeAxisName ( const Kernel::V3D Dir,
const std::vector< std::string > &  QNames 
)

function to build mslice-like axis name from the vector, which describes crystallographic direction along this axis

Definition at line 62 of file MDTransfAxisNames.cpp.

References fabs, sprintfd(), Mantid::Kernel::V3D::X(), Mantid::Kernel::V3D::Y(), and Mantid::Kernel::V3D::Z().

Referenced by Mantid::MDAlgorithms::MDWSTransform::setQ3DDimensionsNames().

◆ MAXRECURSIONDEPTH()

static const std::string Mantid::MDAlgorithms::MAXRECURSIONDEPTH ( "20"  )
static

◆ noNormalisationOption()

std::string Mantid::MDAlgorithms::noNormalisationOption ( )

Non-member defining the no normalisation option.

Returns
no normalisation option.

Definition at line 33 of file QueryMDWorkspace.cpp.

Referenced by Mantid::MDAlgorithms::QueryMDWorkspace::init(), and whichNormalisation().

◆ normaliseKernel()

KernelVector Mantid::MDAlgorithms::normaliseKernel ( std::vector< double >  kernel)

Definition at line 131 of file SmoothMD.cpp.

References value.

Referenced by gaussianKernel(), and renormaliseKernel().

◆ numberOfEventsNormalisationOption()

std::string Mantid::MDAlgorithms::numberOfEventsNormalisationOption ( )

Non-member defining the number of events normalisation option.

Returns
number of events normalisation.

Definition at line 45 of file QueryMDWorkspace.cpp.

Referenced by Mantid::MDAlgorithms::QueryMDWorkspace::init().

◆ padParameterVector()

void Mantid::MDAlgorithms::padParameterVector ( std::vector< double > &  param_vector,
const size_t  grow_to_size 
)

Pad vector of parameters to given length.

Definition at line 40 of file CreateMD.cpp.

Referenced by Mantid::MDAlgorithms::AccumulateMD::exec(), and Mantid::MDAlgorithms::CreateMD::exec().

◆ parseDimensionNames()

std::vector< std::string > Mantid::MDAlgorithms::parseDimensionNames ( const std::string &  names_string)

◆ parseNames()

std::vector< std::string > Mantid::MDAlgorithms::parseNames ( const std::string &  names_string)

Definition at line 41 of file CreateMDWorkspace.cpp.

Referenced by Mantid::MDAlgorithms::CreateMDWorkspace::exec().

◆ Q3D()

const std::string Mantid::MDAlgorithms::Q3D ( "Q3D"  )

◆ renormaliseKernel()

KernelVector Mantid::MDAlgorithms::renormaliseKernel ( std::vector< double >  kernel,
const std::vector< bool > &  validity 
)

Definition at line 114 of file SmoothMD.cpp.

References normaliseKernel().

Referenced by Mantid::MDAlgorithms::SmoothMD::gaussianSmooth().

◆ SPLITINTO()

static const std::string Mantid::MDAlgorithms::SPLITINTO ( "2"  )
static

◆ SPLITTHRESHOLD()

static const std::string Mantid::MDAlgorithms::SPLITTHRESHOLD ( "500"  )
static

◆ sprintfd()

std::string DLLExport Mantid::MDAlgorithms::sprintfd ( const double  data,
const double  eps 
)

creates string representation of the number with accuracy, cpecified by eps

Definition at line 96 of file MDTransfAxisNames.cpp.

Referenced by Mantid::MDAlgorithms::LoadSQW2::createQDimension(), makeAxisName(), and Mantid::MDAlgorithms::MDWSTransform::setQ3DDimensionsNames().

◆ tryFetchDimensionIndex()

size_t Mantid::MDAlgorithms::tryFetchDimensionIndex ( const Mantid::API::IMDWorkspace_sptr ws,
const std::string &  candidateNameOrId 
)

Free helper function.

try to fetch the workspace index.

Parameters
ws: The workspace to find the dimensions in
candidateNameOrIdEither the name or the id of a dimension in the workspace.
Returns
the index of the dimension in the workspace.
Exceptions
runtime_errorif the requested dimension is unknown either by id, or by name in the workspace.

Definition at line 104 of file MaskMD.cpp.

Referenced by Mantid::MDAlgorithms::MaskMD::exec(), and Mantid::MDAlgorithms::MaskMD::validateInputs().

◆ versus()

template<typename T >
std::string Mantid::MDAlgorithms::versus ( a,
b 
)

◆ volumeNormalisationOption()

std::string Mantid::MDAlgorithms::volumeNormalisationOption ( )

Non-member defining the volume normalisation option.

Returns
volume normalisation option.

Definition at line 39 of file QueryMDWorkspace.cpp.

Referenced by Mantid::MDAlgorithms::QueryMDWorkspace::init(), and whichNormalisation().

◆ whichNormalisation()

Mantid::API::MDNormalization Mantid::MDAlgorithms::whichNormalisation ( const std::string &  strNormalisation)

Non-member method to interpret an normalisation option.

Parameters
strNormalisationstring normalisation property value.
Returns
MDNormalisation option.

Definition at line 52 of file QueryMDWorkspace.cpp.

References noNormalisationOption(), Mantid::API::NoNormalization, Mantid::API::NumEventsNormalization, volumeNormalisationOption(), and Mantid::API::VolumeNormalization.

Referenced by Mantid::MDAlgorithms::QueryMDWorkspace::exec().

Variable Documentation

◆ BIGNUMBER

const double Mantid::MDAlgorithms::BIGNUMBER = 1.0E100

◆ DODEBUG

bool Mantid::MDAlgorithms::DODEBUG = true

◆ THRESHOLD_SIGNAL

const signal_t Mantid::MDAlgorithms::THRESHOLD_SIGNAL = 0