CycloBranch
cSequence.h
Go to the documentation of this file.
1
7#ifndef _CSEQUENCE_H
8#define _CSEQUENCE_H
9
10#include <iostream>
11#include <fstream>
12#include <vector>
13#include <string>
14#include "core/utilities.h"
15#include "core/cFragmentIons.h"
17
18
19using namespace std;
20using namespace boost;
21
22
26class cSequence {
27
28 ePeptideType peptidetype;
29 string sequence;
30 string nterminalmodification;
31 string cterminalmodification;
32 string branchmodification;
33 string name;
34 cSummaryFormula summary;
35 string reference;
36 double rtmin;
37 double rtmax;
38 bool decoy;
39
40public:
41
42
46 cSequence();
47
48
52 void clear();
53
54
59 void store(ofstream& os);
60
61
69 void load(ifstream& is, int fileversionpart1, int fileversionpart2, int fileversionpart3);
70
71
77
78
83 string& getSequence();
84
85
90 string& getName();
91
92
98
99
105
106
111 string& getReference();
112
113
118 void setPeptideType(ePeptideType peptidetype);
119
120
125 void setSequence(const string& sequence);
126
127
132 void setName(const string& name);
133
134
140 void setRetentionTime(double rtmin, double rtmax);
141
142
147 void setReference(const string& reference);
148
149
154 void setNTterminalModification(const string& modification);
155
156
161 void setCTterminalModification(const string& modification);
162
163
168 void setBranchModification(const string& modification);
169
170
176
177
183
184
189 string& getBranchModification();
190
191
197
198
203 void setSummaryFormula(const string& formula);
204
205
210 string getSummaryFormula();
211
212
217 bool isDecoy();
218
219
224 void setDecoy(bool decoy);
225
226};
227
228
229#endif
Basic definitions of fragment ions occurring in the mass spectra.
The representation of a summary formula.
The class representing a sequence.
Definition: cSequence.h:26
string & getNTterminalModification()
Get N-terminal modification.
Definition: cSequence.cpp:132
ePeptideType getPeptideType()
Get peptide type.
Definition: cSequence.cpp:60
string & getReference()
Get reference.
Definition: cSequence.cpp:85
void setName(const string &name)
Set name.
Definition: cSequence.cpp:100
string & getCTterminalModification()
Get C-terminal modification.
Definition: cSequence.cpp:137
string getSummaryFormula()
Get the summary formula.
Definition: cSequence.cpp:325
double getMaximumRetentionTime()
Get maximum retention time.
Definition: cSequence.cpp:80
void setRetentionTime(double rtmin, double rtmax)
Set retention time.
Definition: cSequence.cpp:105
void store(ofstream &os)
Store the structure into an output stream.
Definition: cSequence.cpp:24
string & getName()
Get name.
Definition: cSequence.cpp:70
void setBranchModification(const string &modification)
Set branch modification.
Definition: cSequence.cpp:126
double getMinimumRetentionTime()
Get minimum retention time.
Definition: cSequence.cpp:75
void setSummaryFormula(const string &formula)
Set the summary formula.
Definition: cSequence.cpp:320
bool isDecoy()
Check if sequence/compound is decoy.
Definition: cSequence.cpp:330
string & getBranchModification()
Get branch modification.
Definition: cSequence.cpp:142
void setNTterminalModification(const string &modification)
Set N-terminal modification.
Definition: cSequence.cpp:116
string & getSequence()
Get sequence.
Definition: cSequence.cpp:65
string getNameWithReferenceAsHTMLString()
Get name of sequence as a HTML link to sequence reference.
Definition: cSequence.cpp:147
void setPeptideType(ePeptideType peptidetype)
Set peptide type.
Definition: cSequence.cpp:90
void setDecoy(bool decoy)
Set decoy flag.
Definition: cSequence.cpp:335
void setReference(const string &reference)
Set reference.
Definition: cSequence.cpp:111
void load(ifstream &is, int fileversionpart1, int fileversionpart2, int fileversionpart3)
Load the structure from an input stream.
Definition: cSequence.cpp:39
void setCTterminalModification(const string &modification)
Set C-terminal modification.
Definition: cSequence.cpp:121
cSequence()
The constructor.
Definition: cSequence.cpp:4
void clear()
Clear the structure.
Definition: cSequence.cpp:9
void setSequence(const string &sequence)
Set sequence.
Definition: cSequence.cpp:95
The representation of a summary formula.
Definition: cSummaryFormula.h:59
Auxiliary funtions and structures.
ePeptideType
The types of peptides supported by the application.
Definition: utilities.h:104