-
Notifications
You must be signed in to change notification settings - Fork 122
/
GeneralisedSecondDifference.h
101 lines (87 loc) · 3.52 KB
/
GeneralisedSecondDifference.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
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
#ifndef MANTID_ALGORITHMS_GENERALISEDSECONDDIFFERENCE_H_
#define MANTID_ALGORITHMS_GENERALISEDSECONDDIFFERENCE_H_
#include "MantidAPI/Algorithm.h"
namespace Mantid {
namespace Algorithms {
/** Compute the generalised second difference of a spectrum or several spectra
based on the method
* described by M.A. Mariscotti., Nuclear Instruments and Methods 50, 309
(1967).
* This is used for example by a peak-finding algorithm.
* Given a spectrum with value yi (0<=i<n), the generalised second difference
corresponds to
* the second difference curve, smoothed by averaging each point in the interval
[-m,+m],
* and applying this procedure z times.
Required Properties:
<UL>
<LI> InputWorkspace - The name of the workspace to take as input. </LI>
<LI> OutputWorkspace - The name under which to store the output workspace.
</LI>
<LI> m - The number of points for averaging, i.e. summing will
be done in the range [y(i-m),y(i+m)] </LI>
<LI> z - The number of iteration steps in the averaging
procedure </LI>
<LI> Spectra_min - Lower bound of the spectra range </LI>
<LI> Spectra_max - Upper bound of the spectra range </LI>
</UL>
@author Laurent C Chapon, ISIS Facility Rutherford Appleton Laboratory
@date 26/12/2008
Copyright © 2008 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
This file is part of Mantid.
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class DLLExport GeneralisedSecondDifference : public API::Algorithm {
public:
/// (Empty) Constructor
GeneralisedSecondDifference();
/// Virtual destructor
virtual ~GeneralisedSecondDifference();
/// Algorithm's name
virtual const std::string name() const {
return "GeneralisedSecondDifference";
}
/// Summary of algorithms purpose
virtual const std::string summary() const {
return "Computes the generalised second difference of a spectrum or "
"several spectra.";
}
/// Algorithm's version
virtual int version() const { return (1); }
/// Algorithm's category for identification
virtual const std::string category() const { return "Arithmetic"; }
private:
/// Initialisation code
void init();
/// Execution code
void exec();
///
void computePrefactors();
/// Vector that contains the prefactor coefficients Cij in the range
/// [-zm-1,zm+1]
std::vector<double> m_Cij;
/// Vector that contains the prefactor coefficients Cij^2 in the range
/// [-zm-1,zm+1]
std::vector<double> m_Cij2;
/// Contains the value of the property z
int m_z;
/// Contains the value of the property m
int m_m;
/// Progress reporting
API::Progress *m_progress;
};
} // Namespace Algorithms
} // Namespace Mantid
#endif /* MANTID_ALGORITHMS_GENERALIZEDSECONDDIFFERENCE_H_ */