48 #include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/SUPERHIRN/SuperHirnConfig.h> 80 double getIntensity();
82 double getSignalToNoise();
83 double getFittedIntensity();
84 double getOrgIntensity();
85 std::string getExtraPeakInfo();
86 double getRetentionTime();
88 void setMass(
double pMass);
89 void setIntensity(
double pIntensity);
90 void setIsotopIdx(
double pIsotopIdx);
91 void setSignalToNoise(
double in);
92 void setFittedIntensity(
double pFittedIntensity);
93 void setOrgIntensity(
double pOrgIntensity);
94 void setExtraPeakInfo(std::string in);
95 void setRetentionTime(
double in);
98 void subtractIntensity(
double);
119 DeconvPeak(
double,
double,
int,
int,
double,
double);
133 double getC13MassError();
135 std::vector<CentroidPeak> getIsotopicPeaks();
137 void setCharge(
int pCharge);
138 void setNrIsotopes(
int pNrIsotopes);
139 void setC13MassError(
double pC13MassError);
140 void setScore(
double pScore);
141 void setIsotopicPeaks(std::vector<CentroidPeak> pIsotopicPeaks);
175 return signalToNoise_;
180 return fittedIntensity_;
185 return orgIntensity_;
190 return extraPeakInfo_;
205 intensity_ = pIntensity;
210 isotopIdx_ = (
int) pIsotopIdx;
220 fittedIntensity_ = pFittedIntensity;
225 orgIntensity_ = pOrgIntensity;
252 return c13MassError_;
262 return isotopicPeaks_;
272 c13MassError_ = pC13MassError;
277 nrIsotopes_ = pNrIsotopes;
287 isotopicPeaks_ = pIsotopicPeaks;
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
double signalToNoise_
Definition: CentroidPeak.h:108
double tr_
Definition: CentroidPeak.h:107
void setMass(double pMass)
Definition: CentroidPeak.h:198
double mass_
Definition: CentroidPeak.h:103
double getC13MassError()
Definition: CentroidPeak.h:250
void setRetentionTime(double in)
Definition: CentroidPeak.h:233
void setNrIsotopes(int pNrIsotopes)
Definition: CentroidPeak.h:275
void setFittedIntensity(double pFittedIntensity)
Definition: CentroidPeak.h:218
void setIsotopIdx(double pIsotopIdx)
Definition: CentroidPeak.h:208
int getIsotopIdx()
Definition: CentroidPeak.h:168
void setIntensity(double pIntensity)
Definition: CentroidPeak.h:203
double getOrgIntensity()
Definition: CentroidPeak.h:183
void setIsotopicPeaks(std::vector< CentroidPeak > pIsotopicPeaks)
Definition: CentroidPeak.h:285
double getIntensity()
Definition: CentroidPeak.h:163
void setExtraPeakInfo(std::string in)
Definition: CentroidPeak.h:228
double getMass()
Definition: CentroidPeak.h:158
double fittedIntensity_
Definition: CentroidPeak.h:105
int charge_
Definition: CentroidPeak.h:145
void setC13MassError(double pC13MassError)
Definition: CentroidPeak.h:270
int nrIsotopes_
Definition: CentroidPeak.h:146
double getFittedIntensity()
Definition: CentroidPeak.h:178
double intensity_
Definition: CentroidPeak.h:104
void setSignalToNoise(double in)
Definition: CentroidPeak.h:213
double score_
Definition: CentroidPeak.h:148
double getScore()
Definition: CentroidPeak.h:255
double c13MassError_
Definition: CentroidPeak.h:147
double orgIntensity_
Definition: CentroidPeak.h:106
void setScore(double pScore)
Definition: CentroidPeak.h:280
std::vector< CentroidPeak > isotopicPeaks_
Definition: CentroidPeak.h:149
std::string getExtraPeakInfo()
Definition: CentroidPeak.h:188
Definition: CentroidPeak.h:113
std::string extraPeakInfo_
Definition: CentroidPeak.h:109
double getRetentionTime()
Definition: CentroidPeak.h:193
int getCharge()
Definition: CentroidPeak.h:240
double getSignalToNoise()
Definition: CentroidPeak.h:173
std::vector< CentroidPeak > getIsotopicPeaks()
Definition: CentroidPeak.h:260
int getNrIsotopes()
Definition: CentroidPeak.h:245
int isotopIdx_
Definition: CentroidPeak.h:102
Definition: CentroidPeak.h:59
void setOrgIntensity(double pOrgIntensity)
Definition: CentroidPeak.h:223
std::ostream & operator<<(std::ostream &os, const AccurateMassSearchResult &amsr)
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
void setCharge(int pCharge)
Definition: CentroidPeak.h:265