36 #ifndef OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_IMSALPHABET_H 
   37 #define OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_IMSALPHABET_H 
  123         elements_(alphabet.elements_)
 
  133         return elements_.size();
 
  145         return elements_[index];
 
  158       void setElement(
const name_type & name, mass_type mass, 
bool forced = 
false);
 
  166       bool erase(
const name_type & name);
 
  176       const element_type & getElement(
const name_type & name) 
const;
 
  184       const name_type & getName(size_type index) 
const;
 
  195       mass_type getMass(
const name_type & name) 
const;
 
  204       mass_type getMass(size_type index) 
const;
 
  212       masses_type getMasses(size_type isotope_index = 0) 
const;
 
  219       masses_type getAverageMasses() 
const;
 
  228       bool hasName(
const name_type & name) 
const;
 
  251         elements_.push_back(element);
 
  267       virtual void sortByNames();
 
  275       virtual void sortByValues();
 
  287       virtual void load(
const std::string & fname);
 
  337     OPENMS_DLLAPI std::ostream & 
operator<<(std::ostream & os, 
const IMSAlphabet & alphabet);
 
  343 #endif // OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_ALPHABET_H 
const element_type & getElement(size_type index) const 
Definition: IMSAlphabet.h:143
std::vector< name_type > name_container
Definition: IMSAlphabet.h:93
bool operator()(const element_type &el1, const element_type &el2) const 
Definition: IMSAlphabet.h:321
mass_type getMass(size_type index=0) const 
Definition: IMSElement.h:175
void clear()
Definition: IMSAlphabet.h:257
container::size_type size_type
Definition: IMSAlphabet.h:90
virtual ~IMSAlphabet()
Definition: IMSAlphabet.h:307
element_type::name_type name_type
Definition: IMSAlphabet.h:88
container elements_
Definition: IMSAlphabet.h:313
mass_container::const_iterator const_mass_iterator
Definition: IMSAlphabet.h:98
void push_back(const name_type &name, mass_type value)
Definition: IMSAlphabet.h:239
Represents a chemical atom with name and isotope distribution. 
Definition: IMSElement.h:61
IMSAlphabet(const container &elements)
Definition: IMSAlphabet.h:112
IMSElement element_type
Definition: IMSAlphabet.h:86
mass_container::iterator mass_iterator
Definition: IMSAlphabet.h:97
name_container::iterator name_iterator
Definition: IMSAlphabet.h:94
Private class-functor to sort out elements in mass ascending order. 
Definition: IMSAlphabet.h:318
IMSAlphabet()
Definition: IMSAlphabet.h:104
std::vector< mass_type > masses_type
Definition: IMSAlphabet.h:99
name_container::const_iterator const_name_iterator
Definition: IMSAlphabet.h:95
std::vector< mass_type > mass_container
Definition: IMSAlphabet.h:96
element_type::mass_type mass_type
Definition: IMSAlphabet.h:87
container::iterator iterator
Definition: IMSAlphabet.h:91
IMSAlphabet(const IMSAlphabet &alphabet)
Definition: IMSAlphabet.h:122
Holds an indexed list of bio-chemical elements. 
Definition: IMSAlphabet.h:82
container::const_iterator const_iterator
Definition: IMSAlphabet.h:92
std::string name_type
Type of element's name. 
Definition: IMSElement.h:65
std::vector< element_type > container
Definition: IMSAlphabet.h:89
void push_back(const element_type &element)
Definition: IMSAlphabet.h:249
size_type size() const 
Definition: IMSAlphabet.h:131
std::ostream & operator<<(std::ostream &os, const IMSAlphabet &alphabet)