35 #ifndef OPENMS_DATASTRUCTURES_MASSEXPLAINER_H 
   36 #define OPENMS_DATASTRUCTURES_MASSEXPLAINER_H 
   77     void init_(
bool init_thresh_p);
 
  112                      const float mass_to_explain,
 
  113                      const float mass_delta,
 
  114                      const float thresh_log_p,
 
  115                      std::vector<Compomer>::const_iterator & firstExplanation,
 
  116                      std::vector<Compomer>::const_iterator & lastExplanation) 
const;
 
  120     bool compomerValid_(
const Compomer & cmp);
 
  145 #endif // OPENMS_DATASTRUCTURES_MASSEXPLAINER_H 
A more convenient string class. 
Definition: String.h:56
Holds information on an edge connecting two features from a (putative) charge ladder. 
Definition: Compomer.h:58
ptrdiff_t SignedSize
Signed Size type e.g. used as pointer difference. 
Definition: Types.h:151
std::vector< Adduct > AdductsType
Definition: Adduct.h:50
Size max_neutrals_
Maximum number of neutral(q=0) adducts. 
Definition: MassExplainer.h:138
std::vector< Compomer > explanations_
store possible explanations (as formula) for a certain ChargeDifference and MassDifference ...
Definition: MassExplainer.h:126
computes empirical formulas for given mass differences using a set of allowed elements ...
Definition: MassExplainer.h:51
std::vector< Compomer >::const_iterator CompomerIterator
Definition: MassExplainer.h:57
size_t Size
Size type e.g. used as variable which can hold result of size() 
Definition: Types.h:144
DoubleReal thresh_p_
minimum required probability of a compound (all other compounds are discarded) 
Definition: MassExplainer.h:136
Int max_span_
maximal span (in terms of charge) for co-features, e.g. a cluster with q={3,6} has span=4 ...
Definition: MassExplainer.h:134
Int q_max_
maximal expected charge 
Definition: MassExplainer.h:132
AdductsType adduct_base_
all allowed adducts, whose combination explains the mass difference 
Definition: MassExplainer.h:128
Adduct::AdductsType AdductsType
Definition: MassExplainer.h:56
int Int
Signed integer type. 
Definition: Types.h:100
Int q_min_
minimal expected charge 
Definition: MassExplainer.h:130