OpenMS
LocalLinearMap.h
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31 // $Maintainer: Timo Sachsenberg $
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34 
35 #pragma once
36 
38 
39 namespace OpenMS
40 {
41 
56  class OPENMS_DLLAPI LocalLinearMap
57  {
58 
59 public:
60 
68  struct OPENMS_DLLAPI LLMParam
69  {
72  double radius;
73  };
74 
78  virtual ~LocalLinearMap();
79 
81  const LLMParam & getLLMParam() const;
83  const Matrix<double> & getCodebooks() const;
85  const Matrix<double> & getMatrixA() const;
87  const std::vector<double> & getVectorWout() const;
89  const Matrix<UInt> & getCord() const;
91  void normalizeVector(std::vector<double> & aaIndexVariables);
93  std::vector<double> neigh(const Matrix<UInt> & cord, Size win, double radius);
94 
95 private:
96 
100  std::vector<double> wout_;
102 
106  double dist_(const Matrix<UInt> & u, const Matrix<UInt> & v, Size a, Size b);
107 
112 
113  };
114 
115 
116 }
Trained Local Linear Map (LLM) model for peak intensity prediction.
Definition: LocalLinearMap.h:57
LLMParam param_
parameters of the model
Definition: LocalLinearMap.h:97
std::vector< double > neigh(const Matrix< UInt > &cord, Size win, double radius)
calculate neighborhood function based on distance of prototypes to winner prototype on two-dimensiona...
double radius
Definition: LocalLinearMap.h:72
LocalLinearMap()
default constructor
LocalLinearMap & operator=(const LocalLinearMap &llm)
Assignment operator not implemented => private.
const Matrix< double > & getCodebooks() const
return position of the codebook vectors (18-dim)
LocalLinearMap(LocalLinearMap &rhs)
Copy constructor not implemented => private.
void normalizeVector(std::vector< double > &aaIndexVariables)
calculate and return normalized amino acid index variables from string representation of peptide
Matrix< double > A_
linear mappings
Definition: LocalLinearMap.h:99
std::vector< double > wout_
linear bias
Definition: LocalLinearMap.h:100
const Matrix< double > & getMatrixA() const
return linear mappings of the codebooks
Matrix< double > code_
codebook vectors
Definition: LocalLinearMap.h:98
Matrix< UInt > cord_
coordinates of codebooks on grid
Definition: LocalLinearMap.h:101
UInt ydim
Definition: LocalLinearMap.h:71
const Matrix< UInt > & getCord() const
return coordinates of codebook vectors on the 2-d grid
double dist_(const Matrix< UInt > &u, const Matrix< UInt > &v, Size a, Size b)
calculate distance between two prototypes
Matrix< UInt > genCord_(Size xdim, Size ydim)
needed to store prototype coordinates
const std::vector< double > & getVectorWout() const
return linear bias
virtual ~LocalLinearMap()
destructor
UInt xdim
Definition: LocalLinearMap.h:70
const LLMParam & getLLMParam() const
return parameters of the LocalLinearMap model
Define parameters needed by the Local Linear Map (LLM) model.
Definition: LocalLinearMap.h:69
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48