-
Notifications
You must be signed in to change notification settings - Fork 122
/
OptimizeLatticeForCellType.h
52 lines (45 loc) · 1.84 KB
/
OptimizeLatticeForCellType.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2009 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/IFunction.h"
#include "MantidAPI/ILatticeFunction.h"
#include "MantidCrystal/DllConfig.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
#include "MantidGeometry/Crystal/UnitCell.h"
#include <gsl/gsl_blas.h>
#include <gsl/gsl_multifit_nlin.h>
#include <gsl/gsl_multimin.h>
#include <gsl/gsl_statistics.h>
namespace Mantid {
namespace Crystal {
/**
Find the offsets for each detector
@author Vickie Lynch, SNS
@date 02/06/2012
*/
class MANTID_CRYSTAL_DLL OptimizeLatticeForCellType : public API::Algorithm {
public:
/// Algorithm's name for identification overriding a virtual method
const std::string name() const override { return "OptimizeLatticeForCellType"; }
/// Summary of algorithms purpose
const std::string summary() const override { return "Optimize lattice parameters for cell type."; }
/// Algorithm's version for identification overriding a virtual method
int version() const override { return 1; }
const std::vector<std::string> seeAlso() const override {
return {"FindUBUsingFFT", "FindUBUsingIndexedPeaks", "FindUBUsingLatticeParameters"};
}
/// Algorithm's category for identification overriding a virtual method
const std::string category() const override { return "Crystal\\Cell"; }
API::ILatticeFunction_sptr getLatticeFunction(const std::string &cellType, const Geometry::UnitCell &cell) const;
private:
// Overridden Algorithm methods
void init() override;
void exec() override;
};
} // namespace Crystal
} // namespace Mantid