OpenMS
2.4.0
OpenMS
FORMAT
PepNovoInfile.h
Go to the documentation of this file.
1
// --------------------------------------------------------------------------
2
// OpenMS -- Open-Source Mass Spectrometry
3
// --------------------------------------------------------------------------
4
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
6
//
7
// This software is released under a three-clause BSD license:
8
// * Redistributions of source code must retain the above copyright
9
// notice, this list of conditions and the following disclaimer.
10
// * Redistributions in binary form must reproduce the above copyright
11
// notice, this list of conditions and the following disclaimer in the
12
// documentation and/or other materials provided with the distribution.
13
// * Neither the name of any author or any participating institution
14
// may be used to endorse or promote products derived from this software
15
// without specific prior written permission.
16
// For a full list of authors, refer to the file AUTHORS.
17
// --------------------------------------------------------------------------
18
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26
// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27
// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28
// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29
//
30
// --------------------------------------------------------------------------
31
// $Maintainer: Timo Sachsenberg $
32
// $Authors: $
33
// --------------------------------------------------------------------------
34
35
#pragma once
36
37
#include <
OpenMS/DATASTRUCTURES/String.h
>
38
#include <
OpenMS/CHEMISTRY/ModificationDefinitionsSet.h
>
39
#include <
OpenMS/FORMAT/TextFile.h
>
40
41
#include <map>
42
43
44
namespace
OpenMS
45
{
53
class
OPENMS_DLLAPI
PepNovoInfile
54
{
55
public
:
57
PepNovoInfile
();
58
60
PepNovoInfile
(
const
PepNovoInfile
& pepnovo_infile);
61
63
virtual
~
PepNovoInfile
();
64
66
PepNovoInfile
& operator=(
const
PepNovoInfile
& pepnovo_infile);
67
69
bool
operator==
(
const
PepNovoInfile
& pepnovo_infile)
const
;
70
76
void
store(
const
String
& filename);
77
83
void
setModifications(
const
StringList
& fixed_mods,
const
StringList
& variable_mods);
84
91
void
getModifications(std::map<String, String> & modification_key_map)
const
;
92
93
private
:
94
ModificationDefinitionsSet
mods_
;
95
std::map<String, String>
mods_and_keys_
;
96
TextFile
ptm_file_
;
97
98
104
String
handlePTMs_(
const
String
& modification,
const
bool
variable);
105
};
106
107
}
// namespace OpenMS
108
OpenMS::String
A more convenient string class.
Definition:
String.h:57
ModificationDefinitionsSet.h
OpenMS::PepNovoInfile::ptm_file_
TextFile ptm_file_
Definition:
PepNovoInfile.h:96
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition:
KDTree.h:806
OpenMS
Main OpenMS namespace.
Definition:
FeatureDeconvolution.h:46
OpenMS::PepNovoInfile::mods_
ModificationDefinitionsSet mods_
Definition:
PepNovoInfile.h:94
OpenMS::ModificationDefinitionsSet
Representation of a set of modification definitions.
Definition:
ModificationDefinitionsSet.h:58
OpenMS::StringList
std::vector< String > StringList
Vector of String.
Definition:
ListUtils.h:73
TextFile.h
String.h
OpenMS::TextFile
This class provides some basic file handling methods for text files.
Definition:
TextFile.h:46
OpenMS::PepNovoInfile::mods_and_keys_
std::map< String, String > mods_and_keys_
Definition:
PepNovoInfile.h:95
OpenMS::PepNovoInfile
PepNovo input file adapter.
Definition:
PepNovoInfile.h:53
Generated on Mon Oct 29 2018 16:40:56 for OpenMS by
1.8.14