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