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RealMassDecomposer.h
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35 
36 #ifndef OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_REALMASSDECOMPOSER_H
37 #define OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_REALMASSDECOMPOSER_H
38 
39 #include <utility>
40 #include <map>
41 #include <memory>
42 
44 
45 namespace OpenMS
46 {
47  namespace ims
48  {
49 
68  class OPENMS_DLLAPI RealMassDecomposer
69  {
70 public:
71 
74 
77 
80 
82  typedef unsigned long long number_of_decompositions_type;
83 
84  typedef std::map<unsigned int, std::pair<unsigned int, unsigned int> > constraints_type;
85 
91  explicit RealMassDecomposer(const Weights & weights);
92 
100  decompositions_type getDecompositions(double mass, double error);
101 
102  decompositions_type getDecompositions(double mass, double error, const constraints_type & constraints);
103 
113  number_of_decompositions_type getNumberOfDecompositions(double mass, double error);
114 
115 private:
118 
120  std::pair<double, double> rounding_errors_;
121 
123  double precision_;
124 
129  std::shared_ptr<integer_decomposer_type> decomposer_;
130  };
131 
132  } // namespace ims
133 } // namespace OpenMS
134 
135 #endif // OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_REALMASSDECOMPOSER_H
unsigned long long number_of_decompositions_type
Type of the number of decompositions.
Definition: RealMassDecomposer.h:82
integer_decomposer_type::value_type integer_value_type
Type of integer values that are decomposed.
Definition: RealMassDecomposer.h:76
std::map< unsigned int, std::pair< unsigned int, unsigned int > > constraints_type
Definition: RealMassDecomposer.h:84
Represents a set of weights (double values and scaled with a certain precision their integer counterp...
Definition: Weights.h:68
Handles decomposing of non-integer values/masses over a set of non-integer weights with an error allo...
Definition: RealMassDecomposer.h:68
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Implements MassDecomposer interface using algorithm and data structures described in paper "Efficient...
Definition: IntegerMassDecomposer.h:71
IntegerMassDecomposer integer_decomposer_type
Type of integer decomposer.
Definition: RealMassDecomposer.h:73
integer_decomposer_type::decompositions_type decompositions_type
Type of result decompositions from integer decomposer.
Definition: RealMassDecomposer.h:79
std::shared_ptr< integer_decomposer_type > decomposer_
Definition: RealMassDecomposer.h:129
double precision_
Precision to scale double values to integer.
Definition: RealMassDecomposer.h:123
MassDecomposer< ValueType, DecompositionValueType >::decompositions_type decompositions_type
Type of container for many decompositions.
Definition: IntegerMassDecomposer.h:85
Weights weights_
Weights over which values/masses to be decomposed.
Definition: RealMassDecomposer.h:117
std::pair< double, double > rounding_errors_
Minimal and maximal rounding errors.
Definition: RealMassDecomposer.h:120
MassDecomposer< ValueType, DecompositionValueType >::value_type value_type
Type of value to be decomposed.
Definition: IntegerMassDecomposer.h:76

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:03 using doxygen 1.8.13