12#include "MantidCrystal/DllConfig.h"
38 const std::string
name()
const override {
return "PredictPeaks"; };
40 const std::string
summary()
const override {
41 return "Using a known crystal lattice and UB matrix, predict where single "
42 "crystal peaks should be found in detector/TOF space. Creates a "
43 "PeaksWorkspace containing the peaks at the expected positions.";
47 int version()
const override {
return 1; };
48 const std::vector<std::string>
seeAlso()
const override {
return {
"CountReflections",
"PredictFractionalPeaks"}; }
50 const std::string
category()
const override {
return "Crystal\\Peaks"; }
58 void checkBeamDirection()
const;
63 std::vector<Kernel::V3D> &possibleHKLs)
const;
66 std::vector<Kernel::V3D> &possibleHKLs)
const;
68 void setStructureFactorCalculatorFromSample(
const API::Sample &sample);
77 std::tuple<Kernel::V3D, double> getPeakParametersFromQ(
const Kernel::V3D &q)
const;
79 void setReferenceFrameAndBeamDirection();
80 void logNumberOfPeaksFound(
size_t allowedPeakCount)
const;
86 std::vector<Mantid::Geometry::ReflectionCondition_sptr>
m_refConds;
94 std::shared_ptr<const Geometry::ReferenceFrame>
m_refFrame;
100 bool m_leanElasticPeak =
false;
Base class from which all concrete algorithm classes should be derived.
This class stores information about the sample used in particular run.
Using a known crystal lattice and UB matrix, predict where single crystal peaks should be found in de...
double m_qConventionFactor
int m_runNumber
Run number of input workspace.
const std::string name() const override
Algorithm's name for identification.
int m_edge
Number of edge pixels with no peaks.
const std::string category() const override
Algorithm's category for identification.
const std::string summary() const override
Summary of algorithms purpose.
std::shared_ptr< const Geometry::ReferenceFrame > m_refFrame
Reference frame for the instrument.
const std::vector< std::string > seeAlso() const override
Function to return all of the seeAlso (these are not validated) algorithms related to this algorithm....
Geometry::Instrument_const_sptr m_inst
Instrument reference.
std::unique_ptr< API::DetectorSearcher > m_detectorCacheSearch
Detector search cache for fast look-up of detectors.
std::vector< Mantid::Geometry::ReflectionCondition_sptr > m_refConds
Reflection conditions possible.
Mantid::API::IPeaksWorkspace_sptr m_pw
Output peaks workspace.
Geometry::StructureFactorCalculator_sptr m_sfCalculator
Kernel::V3D m_refBeamDir
Direction of the beam for this instrument.
int version() const override
Algorithm's version for identification.
Class to implement UB matrix.
std::shared_ptr< IPeaksWorkspace > IPeaksWorkspace_sptr
shared pointer to Mantid::API::IPeaksWorkspace
std::shared_ptr< ExperimentInfo > ExperimentInfo_sptr
Shared pointer to ExperimentInfo.
std::shared_ptr< StructureFactorCalculator > StructureFactorCalculator_sptr
std::shared_ptr< const Instrument > Instrument_const_sptr
Shared pointer to an const instrument object.
Helper class which provides the Collimation Length for SANS instruments.