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
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
|
// --------------------------------------------------------------------------
// OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// This software is released under a three-clause BSD license:
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
// * Neither the name of any author or any participating institution
// may be used to endorse or promote products derived from this software
// without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
// --------------------------------------------------------------------------
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Andreas Bertsch $
// $Authors: $
// --------------------------------------------------------------------------
#ifndef OPENMS_METADATA_IDENTIFICATIONHIT_H
#define OPENMS_METADATA_IDENTIFICATIONHIT_H
#include <OpenMS/METADATA/MetaInfoInterface.h>
namespace OpenMS
{
/**
@brief Represents a object which can store the information of an analysisXML instance
//@todo docu (Andreas)
@ingroup Metadata
*/
class OPENMS_DLLAPI IdentificationHit :
public MetaInfoInterface
{
public:
/// @name constructors,destructors,assignment operator
//@{
/// default constructor
IdentificationHit();
/// destructor
virtual ~IdentificationHit();
/// copy constructor
IdentificationHit(const IdentificationHit & source);
/// assignment operator
IdentificationHit & operator=(const IdentificationHit & source);
/// Equality operator
bool operator==(const IdentificationHit & rhs) const;
/// Inequality operator
bool operator!=(const IdentificationHit & rhs) const;
//@}
/// @name Accessors
//@{
/// sets the identifier
void setId(const String & id);
/// returns the id
const String & getId() const;
/// sets the charge state of the peptide
void setCharge(Int charge);
/// returns the charge state
Int getCharge() const;
/// sets the calculated mass to charge ratio
void setCalculatedMassToCharge(DoubleReal mz);
/// returns the calculated mass to charge ratio
DoubleReal getCalculatedMassToCharge() const;
/// sets the experimental mass to charge ratio
void setExperimentalMassToCharge(DoubleReal mz);
/// returns the experimental mass to charge
DoubleReal getExperimentalMassToCharge() const;
/// sets the name
void setName(const String & name);
/// returns the name
const String & getName() const;
/// sets whether the peptide passed the threshold
void setPassThreshold(bool pass);
/// returns whether the peptide passed the threshold
bool getPassThreshold() const;
/// set the rank of the peptide
void setRank(Int rank);
/// returns the rank of the peptide
Int getRank() const;
//@}
protected:
String id_; ///< identifier
Int charge_; ///< peptide charge
DoubleReal calculated_mass_to_charge_; ///< calculated mass to charge ratio
DoubleReal experimental_mass_to_charge_; ///< experimental mass to charge ratio
String name_; ///< name
bool pass_threshold_; ///< pass threshold
Int rank_; ///< rank of the peptide
};
} //namespace OpenMS
#endif // OPENMS_METADATA_IDENTIFICATIONHIT_H
|
