23 #ifndef _PEAKDATA_HPP_ 24 #define _PEAKDATA_HPP_ 33 #include "boost/shared_ptr.hpp" 45 using namespace minimxml::SAXParser;
63 std::vector<pwiz::math::OrderedPair>
data;
77 Peak(
double _mz = 0,
double _retentionTime = 0);
79 double getAttribute(
Attribute attribute)
const;
85 void read(std::istream& is);
94 parseCharacters =
true;
95 autoUnescapeCharacters =
false;
98 virtual Status startElement(
const std::string& name,
123 void read(std::istream& is);
144 Scan() : index(0), scanNumber(0), retentionTime(0), observationDuration(0) {}
147 void read(std::istream& is);
171 Parameter(std::string name_, std::string value_) : name(name_), value(value_) {}
173 void read(std::istream& is);
181 Software() : name(
""), version(
""), source(
""), parameters(0) {}
183 void read(std::istream& is);
197 void read(std::istream& is);
228 void calculateMetadata();
231 double retentionTimeMin()
const;
232 double retentionTimeMax()
const;
235 void read(std::istream& is);
276 void calculateMetadata();
279 double retentionTimeMin()
const;
280 double retentionTimeMax()
const;
283 void read(std::istream& is);
318 void read(std::istream& is);
332 #endif // _PEAKDATA_HPP_ CalibrationParameters calibrationParameters
std::vector< pwiz::math::OrderedPair > data
The XMLWriter class provides simple, tag-level XML syntax writing.
std::string sourceFilename
std::vector< PeakelPtr > peakels
PWIZ_API_DECL std::ostream & operator<<(std::ostream &os, const Peak &peak)
SAX event handler interface.
double sumAmplitude() const
PWIZ_API_DECL const Record & record(Type type)
returns the amino acid's Record by type
boost::shared_ptr< Peakel > PeakelPtr
std::vector< PeakFamily > peakFamilies
PWIZ_API_DECL std::istream & operator>>(std::istream &is, Peak &peak)
HandlerPeakel(Peakel *_peakel=0)
std::vector< Parameter > parameters
boost::iostreams::stream_offset stream_offset
const int PeakDataFormatVersion_Major
HandlerFeature(Feature *_feature=0)
boost::shared_ptr< Feature > FeaturePtr
double observationDuration
PWIZ_API_DECL void write(minimxml::XMLWriter &writer, const CV &cv)
Handler returns the Status struct as a means of changing the parser's behavior.
std::vector< Peak > peaks
std::vector< Scan > scans
std::vector< FeaturePtr > features
Parameter(std::string name_, std::string value_)
std::map< Attribute, double > Attributes
bool operator==(const SampleDatum< abscissa_type, ordinate_type > &a, const SampleDatum< abscissa_type, ordinate_type > &b)
PWIZ_API_DECL void read(std::istream &is, CV &cv)
PWIZ_API_DECL Position position(CVID cvid=CVID_Unknown)
returns a Position corresponding to one of the following CVIDs: CVID_Unknown: Position::Anywhere MS_m...
struct for an eluted peak (PEAK ELution)
HandlerPeak(Peak *_peak=0)
PWIZ_API_DECL bool operator!=(const TruncatedLorentzianParameters &t, const TruncatedLorentzianParameters &u)
std::vector< Peak > peaks
const int PeakDataFormatVersion_Minor
HandlerPeakel _handlerPeakel