45 #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCMS_H 46 #define OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCMS_H 48 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 58 class SUPERHIRN_DLLAPI
LCMS 111 void order_by_mass();
114 float compare_feature_mass(
const void *,
const void *);
157 void tag_peaks_with_spectrum_ID();
160 int get_nb_common_peaks(
int);
168 void clear_feature_list();
169 std::vector<SHFeature> get_feature_list();
170 std::vector<SHFeature> * get_feature_list_reference();
171 bool check_feature_list_empty();
174 std::vector<SHFeature>::iterator get_feature_list_begin();
175 std::vector<SHFeature>::iterator get_feature_list_end();
182 void remove_feature_by_ID(
int);
185 void remove_feature(
int i);
188 std::vector<SHFeature>::iterator remove_feature_from_list(std::vector<SHFeature>::iterator in);
191 unsigned int get_nb_features();
193 std::string get_spec_name();
194 void set_spec_name(std::string in);
197 int get_spectrum_ID();
198 void set_spectrum_ID(
int in);
201 void setFeatureLCMSID();
207 void remove_raw_spec_name(
int ID);
208 void add_raw_spec_name(
int ID, std::string name);
209 bool check_raw_spec_name_empty();
210 std::map<int, std::string>::iterator get_raw_spec_name_start();
211 std::map<int, std::string>::iterator get_raw_spec_name_end();
212 std::map<int, std::string> get_raw_spec_name_map();
213 int get_nb_raw_specs();
215 std::string get_raw_spec_name(
int ID);
218 bool check_LCMS_name(std::string);
221 bool find_LC_MS_by_ID(
int);
224 void add_raw_spec_name_map(std::map<int, std::string> in);
227 int get_nb_identified_features();
230 int get_nb_identified_features(
double PepProb_T);
235 void add_alignment_error(
double TR,
double ERROR_UP,
double ERROR_DOWN);
238 void get_alignment_error(
double,
double *,
double *);
241 void set_MASTER_ID(
int in);
247 #endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_SUPERHIRN_LCMS_H
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
std::vector< SHFeature > feature_list
Definition: LCMS.h:70
int feature_ID
Definition: SHFeature.h:134
std::map< int, std::string > raw_spec_names
Definition: LCMS.h:79
double MONO_MZ
Definition: SHFeature.h:130
std::string spec_name
Definition: LCMS.h:67
double TR
Definition: SHFeature.h:129
int spectrum_id
Definition: LCMS.h:73
bool operator()(const SHFeature A, const SHFeature B) const
Definition: LCMS.h:141
bool operator()(const SHFeature A, const SHFeature B) const
Definition: LCMS.h:121
int MASTER_ID
Definition: LCMS.h:76
Definition: SHFeature.h:60
static double MINIMAL_PEP_PROPHET_THERSHOLD
Definition: LCMS.h:89
std::map< double, std::pair< double, double > > ALIGNMENT_ERROR
Definition: LCMS.h:82