12 #ifndef __KOME_OBJECTS_SPECTRUM_H__
13 #define __KOME_OBJECTS_SPECTRUM_H__
17 #include <boost/optional.hpp>
53 POLARITY_POSITIVE = 1,
79 std::vector< Spectrum* > m_children;
97 std::string m_specType;
103 boost::optional< double > m_minX;
106 boost::optional< double > m_maxX;
109 boost::optional< double > m_tic;
112 boost::optional< double > m_bpi;
121 std::vector< PrecursorInfo > m_precursor;
139 std::string m_collisionEnergy;
151 bool m_autoZeroPoints;
156 std::string m_strSpotId;
180 void setId(
int id );
216 void setName(
const char* name );
223 const char* getName();
230 void setRt(
const double rt );
238 void setRt(
const double startRt,
const double endRt );
245 void setStartRt(
const double rt );
252 void setEndRt(
const double rt );
280 void setSpecType(
const char* type );
287 const char* getSpecType();
294 void setTitle(
const char* title );
301 const char* getTitle();
308 void setIcon(
const char* icon );
315 const char* getIcon();
346 void getXYData(
kome::core::XYData*
const xyData,
const double minX,
const double maxX,
const bool zero );
354 void setXRange(
const double minX,
const double maxX );
361 void setMinX(
const double minX );
375 void setMaxX(
const double maxX );
389 void setTotalIntensity(
const double intensity );
398 double getTotalIntensity(
const double minX = -1.0,
const double maxX = -1.0 );
405 void setMaxIntensity(
const double intensity );
414 double getMaxIntensity(
const double minX = -1.0,
const double maxX = -1.0 );
421 void setBasePeakMass(
const double mass );
428 double getBasePeakMass();
435 void setMsStage(
const int stage );
450 void setPrecursor(
const int stage,
const double precursor );
457 void setPrecursor(
const double precursor );
465 double getPrecursor(
const int stage );
472 double getPrecursor();
480 void setPrecursorIntensity(
const int stage,
const double intensity );
487 void setPrecursorIntensity(
const double intensity );
495 double getPrecursorIntensity(
const int stage );
502 double getPrecursorIntensity();
509 void setPrecursorCharge(
const int charge );
516 int getPrecursorCharge();
523 void setParentSpectrum(
Spectrum*
const parent );
537 void getChildSpectra( std::vector< Spectrum* >& children );
544 void setHasChromatogram(
const bool chromatogram );
551 bool hasChromatogram();
572 void setScanNumber(
const int scan );
586 void setPolarity( Polarity polarity );
593 Polarity getPolarity();
600 void setCentroidMode(
const bool centroidMode );
607 bool isCentroidMode();
614 void setResolution(
const double resolution );
621 double getResolution();
628 void setCollisionEnergy(
const char* collisionEnergy );
635 const char* getCollisionEnergy();
642 void setVisible(
const bool visible );
656 void setAutoZeroPoints(
const bool autoZero );
663 bool isAutoZeroPoints();
684 void setOrgSpectrum(
Spectrum* spec );
714 void setSpotId(
const char *pcSpotId );
721 const char *getSpotId(
void );
732 static bool isCommonProperty(
const char* key );
742 virtual void onGetXYData(
kome::core::XYData*
const xyData,
const double minX,
const double maxX ) = 0;
750 virtual void onGetXRange(
double* minX,
double* maxX ) = 0;
759 virtual double onGetTotalIntensity(
const double minX,
const double maxX ) = 0;
768 virtual double onGetMaxIntensity(
const double minX,
const double maxX ) = 0;
776 virtual void onSetRequestLoadData(
void );
781 virtual void onResetRequestLoadData(
void );
788 virtual bool onIsRequestLoadData(
void );
794 virtual void onSetFirstAccess(
void );
800 virtual void onResetFirstAccess(
void );
807 virtual bool onIsFirstAccess(
void );
814 virtual bool onLoadData(
void );
821 bool firstAccessProcess(
void );
828 void setRequestLoadData(
void );
834 void resetRequestLoadData(
void );
841 bool isRequestLoadData(
void );
847 void setFirstAccess(
void );
853 void resetFirstAccess(
void );
860 bool isFirstAccess(
void );
867 bool loadData(
void );
875 #endif // __KOME_OBJECTS_SPECTRUM_H__
abstraction class of two dimention coordinate data
group of spectrum management class
sample information management class
keys and values management class
static std::vector< std::string > m_commonProps
void setOperationFlag(const bool op)
sets the operation flag value
spectrum information management class
bool getOperationFlag()
gets the operation flag value