47 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 57 class SUPERHIRN_DLLAPI
LCMS 110 void order_by_mass();
113 float compare_feature_mass(
const void *,
const void *);
156 void tag_peaks_with_spectrum_ID();
159 int get_nb_common_peaks(
int);
167 void clear_feature_list();
168 std::vector<SHFeature> get_feature_list();
169 std::vector<SHFeature> * get_feature_list_reference();
170 bool check_feature_list_empty();
173 std::vector<SHFeature>::iterator get_feature_list_begin();
174 std::vector<SHFeature>::iterator get_feature_list_end();
181 void remove_feature_by_ID(
int);
184 void remove_feature(
int i);
187 std::vector<SHFeature>::iterator remove_feature_from_list(std::vector<SHFeature>::iterator in);
190 unsigned int get_nb_features();
192 std::string get_spec_name();
193 void set_spec_name(std::string in);
196 int get_spectrum_ID();
197 void set_spectrum_ID(
int in);
200 void setFeatureLCMSID();
206 void remove_raw_spec_name(
int ID);
207 void add_raw_spec_name(
int ID, std::string name);
208 bool check_raw_spec_name_empty();
209 std::map<int, std::string>::iterator get_raw_spec_name_start();
210 std::map<int, std::string>::iterator get_raw_spec_name_end();
211 std::map<int, std::string> get_raw_spec_name_map();
212 int get_nb_raw_specs();
214 std::string get_raw_spec_name(
int ID);
217 bool check_LCMS_name(std::string);
220 bool find_LC_MS_by_ID(
int);
223 void add_raw_spec_name_map(std::map<int, std::string> in);
226 int get_nb_identified_features();
229 int get_nb_identified_features(
double PepProb_T);
234 void add_alignment_error(
double TR,
double ERROR_UP,
double ERROR_DOWN);
237 void get_alignment_error(
double,
double *,
double *);
240 void set_MASTER_ID(
int in);
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
std::vector< SHFeature > feature_list
Definition: LCMS.h:69
int feature_ID
Definition: SHFeature.h:133
std::map< int, std::string > raw_spec_names
Definition: LCMS.h:78
double MONO_MZ
Definition: SHFeature.h:129
std::string spec_name
Definition: LCMS.h:66
double TR
Definition: SHFeature.h:128
int spectrum_id
Definition: LCMS.h:72
bool operator()(const SHFeature A, const SHFeature B) const
Definition: LCMS.h:140
bool operator()(const SHFeature A, const SHFeature B) const
Definition: LCMS.h:120
int MASTER_ID
Definition: LCMS.h:75
Definition: SHFeature.h:59
static double MINIMAL_PEP_PROPHET_THERSHOLD
Definition: LCMS.h:88
std::map< double, std::pair< double, double > > ALIGNMENT_ERROR
Definition: LCMS.h:81