45 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MS2INFO_H 46 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MS2INFO_H 48 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 72 std::vector<std::string>
AC;
103 static const double mono_mass[26];
104 static const char AA[20];
115 MS2Info(std::string, std::string,
float);
116 MS2Info(std::string, std::string,
int,
float);
117 MS2Info(std::string, std::string,
float,
int,
int);
133 void add_modification(
int,
double);
134 std::map<int, double>::iterator get_Modification_list_start();
136 std::map<int, double>::iterator get_Modification_list_end();
138 std::map<int, double>::iterator find_Modification(
int pos);
140 std::map<int, double> * get_Modification_list();
142 bool check_MODIFICATION();
145 void set_THEO_MASS_from_SQ();
146 double get_THEO_MZ();
150 void set_SQ(std::string in);
156 bool get_PROTEO_TYPE();
161 int get_TRYPTIC_STATE();
165 bool compare_AC(std::string);
167 bool search_AC_pattern(std::string);
173 std::string get_SQ();
175 std::string get_MOD_SQ();
177 std::string get_TOTAL_SQ();
179 std::string get_AC();
181 std::vector<std::string> get_ALL_AC();
183 std::vector<std::string>::iterator get_ALL_AC_START();
185 std::vector<std::string>::iterator get_ALL_AC_END();
187 bool find_AC(std::string);
188 void set_AC(std::string);
189 float get_PEP_PROB();
191 void set_PEP_PROB(
float in);
193 double get_MONO_MZ();
195 void set_MONO_MZ(
double);
197 double get_NEUTRAL_MR();
199 void set_NEUTRAL_MR(
double);
203 void set_CHRG(
int in);
207 int get_SCAN_START();
209 void set_SCAN_START(
int in);
213 void set_SCAN_END(
int in);
217 double get_DELTA_CN();
219 void set_DELTA_CN(
double in);
223 void set_XCORR(
double in);
225 void set_MS2_TYPE_TAG(std::string in);
227 std::string get_MS2_TYPE_TAG();
230 double getRetentionTime();
232 void setRetentionTime(
double in);
234 double get_MONO_AA_MASS(
int);
236 std::string get_PREV_AA();
238 void set_PREV_AA(std::string in);
243 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_MS2INFO_H
std::vector< std::string > AC
Definition: MS2Info.h:72
int SCAN_START
Definition: MS2Info.h:88
std::string MS2_TYPE_TAG
Definition: MS2Info.h:74
double THEO_MZ
Definition: MS2Info.h:84
int CHRG
Definition: MS2Info.h:87
double DELTA_CN
Definition: MS2Info.h:81
int SCAN_END
Definition: MS2Info.h:89
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
int ID
Definition: MS2Info.h:67
std::string FULL_SQ
Definition: MS2Info.h:70
std::string PREV_AA
Definition: MS2Info.h:71
static const double _MONO_H
Definition: MS2Info.h:96
std::map< int, double > MOD_LIST
Definition: MS2Info.h:93
static const double _MONO_O
Definition: MS2Info.h:97
std::string SQ
Definition: MS2Info.h:69
double TR
Definition: MS2Info.h:91
double NEUTRAL_MR
Definition: MS2Info.h:85
double XCORR
Definition: MS2Info.h:80
double MONO_MZ
Definition: MS2Info.h:83
float PEP_PROB
Definition: MS2Info.h:77