35 #ifndef OPENMS_ANALYSIS_ID_PILISCROSSVALIDATION_H
36 #define OPENMS_ANALYSIS_ID_PILISCROSSVALIDATION_H
46 class PeakSpectrumCompareFunctor;
76 sequence(rhs.sequence),
115 return charge < peptide.
charge;
152 int_min(rhs.int_min),
153 int_max(rhs.int_max),
154 int_stepsize(rhs.int_stepsize),
155 dbl_min(rhs.dbl_min),
156 dbl_max(rhs.dbl_max),
157 dbl_stepsize(rhs.dbl_stepsize)
169 int_stepsize = (
Int)stepsize;
177 dbl_stepsize = stepsize;
181 std::cerr <<
"Type: " << t <<
" is not known!" << std::endl;
240 cv_options_[name] = option;
244 void apply(
Param & PILIS_param,
const PILISModel & base_model,
const std::vector<Peptide> & peptides);
247 DoubleReal scoreHits(
const std::vector<std::vector<std::vector<RichPeakSpectrum> > > & sim_spectra,
const std::vector<std::vector<RichPeakSpectrum> > & exp_spectra);
254 void partition_(std::vector<std::vector<Peptide> > & parts,
const std::vector<Peptide> & source);
256 void generateParameters_(
const Param & param,
const Map<String, Option> & options, std::vector<Param> & parameters);
260 void updateMembers_();
Peptide(const Peptide &rhs)
Definition: PILISCrossValidation.h:75
A more convenient string class.
Definition: String.h:56
Int int_stepsize
Definition: PILISCrossValidation.h:205
Peptide & operator=(const Peptide &rhs)
Definition: PILISCrossValidation.h:87
DoubleReal dbl_stepsize
Definition: PILISCrossValidation.h:208
bool operator<(const Peptide &peptide) const
Definition: PILISCrossValidation.h:105
PeakSpectrumCompareFunctor * pscf_
Definition: PILISCrossValidation.h:262
Representation of a peptide/protein sequence.
Definition: AASequence.h:84
DoubleReal dbl_min
Definition: PILISCrossValidation.h:206
Int charge
Definition: PILISCrossValidation.h:100
this struct represents a peptide spectrum pair
Definition: PILISCrossValidation.h:67
Option & operator=(const Option &rhs)
assignment operator
Definition: PILISCrossValidation.h:187
AASequence sequence
Definition: PILISCrossValidation.h:99
RichPeakSpectrum spec
Definition: PILISCrossValidation.h:101
Map< String, Option > cv_options_
Definition: PILISCrossValidation.h:258
Int int_min
Definition: PILISCrossValidation.h:203
Peptide()
Definition: PILISCrossValidation.h:69
This struct represents a cross validation option.
Definition: PILISCrossValidation.h:126
Type
Type of the parameters.
Definition: PILISCrossValidation.h:129
Option(const Option &rhs)
copy constructor
Definition: PILISCrossValidation.h:150
virtual ~Peptide()
Definition: PILISCrossValidation.h:83
This class implements the simulation of the spectra from PILIS.
Definition: PILISModel.h:67
void setOption(const String &name, const Option &option)
sets a option to be used for the cross validation
Definition: PILISCrossValidation.h:238
Management and storage of parameters / INI files.
Definition: Param.h:69
Int int_max
Definition: PILISCrossValidation.h:204
Option(Type t, DoubleReal min, DoubleReal max, DoubleReal stepsize)
detailed constructors
Definition: PILISCrossValidation.h:162
Base class for compare functors of spectra, that return a similiarity value for two spectra...
Definition: PeakSpectrumCompareFunctor.h:53
Option()
Default constructor.
Definition: PILISCrossValidation.h:138
Type type
Definition: PILISCrossValidation.h:202
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:90
std::vector< PeptideHit > hits
Definition: PILISCrossValidation.h:103
DoubleReal dbl_max
Definition: PILISCrossValidation.h:207
int Int
Signed integer type.
Definition: Types.h:100
Map class based on the STL map (containing serveral convenience functions)
Definition: Map.h:50
Implementation of a cross valdidation training for the PILIS model.
Definition: PILISCrossValidation.h:58