24 #ifndef _FREQUENCYDATA_HPP_ 25 #define _FREQUENCYDATA_HPP_ 63 FrequencyData(
const std::string& filename, IOMode mode=Automatic);
71 void read(
const std::string& filename, IOMode mode=Automatic);
72 void read(std::istream& is, IOMode mode=
Binary);
73 void write(
const std::string& filename, IOMode mode=
Binary)
const;
74 void write(std::ostream& os, IOMode mode=
Binary)
const;
80 const container& data()
const;
88 int scanNumber()
const;
89 void scanNumber(
int value);
91 double retentionTime()
const;
92 void retentionTime(
double value);
97 double observationDuration()
const;
98 void observationDuration(
double value);
100 double noiseFloor()
const;
101 void noiseFloor(
double value);
107 void transform(
double shift, std::complex<double>
scale);
110 double shift()
const;
113 std::complex<double>
scale()
const;
128 const_iterator max()
const;
131 double meanSquare()
const;
132 double sumSquares()
const;
133 double variance()
const;
137 double cutoffNoiseFloor()
const;
140 double observationDurationEstimatedFromData()
const;
146 const_iterator findNearest(
double frequency)
const;
152 static std::pair<double,double> magnitudeSample(
const FrequencyDatum& datum);
157 std::auto_ptr<Impl>
impl_;
171 #endif // _FREQUENCYDATA_HPP_
PWIZ_API_DECL double & operator+=(double &d, const MZTolerance &tolerance)
std::vector< FrequencyDatum > container
Class for binary storage of complex frequency data.
std::iterator_traits< InputIterator >::value_type mean(InputIterator begin, InputIterator end)
MEAN Trimmed arithmetic mean.
PWIZ_API_DECL void write(minimxml::XMLWriter &writer, const CV &cv)
void scale(InputIterator begin, InputIterator end, std::pair< typename std::iterator_traits< InputIterator >::value_type, typename std::iterator_traits< InputIterator >::value_type > &scaled, bool center=true, bool scale=true)
scale centers and/or scales all values from begin in to end.
container::const_iterator const_iterator
PWIZ_API_DECL void read(std::istream &is, CV &cv)
SampleDatum< double, std::complex< double > > FrequencyDatum
container::iterator iterator
PWIZ_API_DECL std::string value(const std::string &id, const std::string &name)
convenience function to extract a named value from an id string
std::auto_ptr< Impl > impl_