libpappsomspp
Library for mass spectrometry
precision.h
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1 /**
2  * \file pappsomspp/mass_range.h
3  * \date 4/3/2015
4  * \author Olivier Langella
5  * \brief object to handle a mass range (an mz value + or - some delta)
6  */
7 
8 /*******************************************************************************
9  * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
10  *
11  * This file is part of the PAPPSOms++ library.
12  *
13  * PAPPSOms++ is free software: you can redistribute it and/or modify
14  * it under the terms of the GNU General Public License as published by
15  * the Free Software Foundation, either version 3 of the License, or
16  * (at your option) any later version.
17  *
18  * PAPPSOms++ is distributed in the hope that it will be useful,
19  * but WITHOUT ANY WARRANTY; without even the implied warranty of
20  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
21  * GNU General Public License for more details.
22  *
23  * You should have received a copy of the GNU General Public License
24  * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
25  *
26  * Contributors:
27  * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
28  *implementation
29  ******************************************************************************/
30 
31 #pragma once
32 
33 #include <map>
34 
35 #include <QString>
36 
37 #include "exportinmportconfig.h"
38 #include "types.h"
39 
40 namespace pappso
41 {
42 
44 {
45  protected:
47 
48  PrecisionBase(pappso_double nominal) : m_nominal(nominal)
49  {
50  }
51 
52  public:
53  virtual PrecisionUnit unit() const = 0;
54  virtual pappso_double getNominal() const final;
55  virtual pappso_double delta(pappso_double value) const = 0;
56  virtual QString toString() const = 0;
57 };
58 
59 
60 /** \def specific type for a dalton precision
61  *
62  */
64 {
65  friend class PrecisionFactory;
66 
67  protected:
69 
70  public:
71  virtual ~DaltonPrecision();
72 
73  virtual PrecisionUnit unit() const override;
74 
75  virtual pappso_double delta(pappso_double value) const override;
76 
77  virtual QString toString() const override;
78 };
79 
80 /** \def specific type for a ppm precision
81  *
82  */
84 {
85  friend class PrecisionFactory;
86 
87  protected:
89 
90  public:
91  virtual ~PpmPrecision();
92 
93  virtual PrecisionUnit unit() const override;
94 
95  virtual pappso_double delta(pappso_double value) const override;
96 
97  virtual QString toString() const override;
98 };
99 
100 
101 /** \def specific type for a res precision
102  *
103  */
105 {
106  friend class PrecisionFactory;
107 
108  protected:
110 
111  public:
112  virtual ~ResPrecision();
113 
114  virtual PrecisionUnit unit() const override;
115 
116  virtual pappso_double delta(pappso_double value) const override;
117 
118  virtual QString toString() const override;
119 };
120 
121 
123 
124 
125 // was class Precision
127 {
128  using MapDaltonPrecision = std::map<pappso_double, DaltonPrecision *>;
129  using MapPpmPrecision = std::map<pappso_double, PpmPrecision *>;
130  using MapResPrecision = std::map<pappso_double, ResPrecision *>;
131 
132  private:
136 
137  public:
138  /** @brief get a precision pointer from a string
139  * @param str is of the form : "nominal_value unit", example : "0.02 dalton"
140  */
141  static PrecisionPtr fromString(const QString &str);
142 
143 
144  /** @brief get a Dalton precision pointer
145  * @param value the precision value in dalton
146  */
147  static PrecisionPtr getDaltonInstance(pappso_double value);
148 
149 
150  /** @brief get a ppm precision pointer
151  * @param value the precision value in ppm
152  */
153  static PrecisionPtr getPpmInstance(pappso_double value);
154 
155  /** @brief get a resolution precision pointer
156  * @param value the precision value in resolution
157  */
158  static PrecisionPtr getResInstance(pappso_double value);
159 
160 
161  /** @brief get the fraction of an existing precision pointer
162  * @param origin the original precision pointer
163  * @param fraction the fraction to apply on the original precision
164  */
165  static PrecisionPtr getPrecisionPtrFractionInstance(PrecisionPtr origin,
166  double fraction);
167 
168  /** @brief get a precision pointer instance
169  * @param unit the precision unit
170  * @param value the precision value
171  */
172  static PrecisionPtr getPrecisionPtrInstance(PrecisionUnit unit, double value);
173 };
174 
175 } // namespace pappso
const pappso_double m_nominal
Definition: precision.h:46
PrecisionBase(pappso_double nominal)
Definition: precision.h:48
virtual PrecisionUnit unit() const =0
static MapResPrecision m_mapRes
Definition: precision.h:135
static MapPpmPrecision m_mapPpm
Definition: precision.h:134
std::map< pappso_double, PpmPrecision * > MapPpmPrecision
Definition: precision.h:129
std::map< pappso_double, DaltonPrecision * > MapDaltonPrecision
Definition: precision.h:128
static MapDaltonPrecision m_mapDalton
Definition: precision.h:133
std::map< pappso_double, ResPrecision * > MapResPrecision
Definition: precision.h:130
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
PrecisionUnit
Definition: types.h:64
double pappso_double
A type definition for doubles.
Definition: types.h:49
const PrecisionBase * PrecisionPtr
Definition: precision.h:122
This header contains all the type re-definitions and all the global variables definitions used in the...