Chemical Data Processing Library C++ API - Version 1.1.1
Public Types | List of all members
CDPL::MolProp::ElementHistogram Class Reference

A data type for the storage of element histograms of chemical compounds. More...

#include <ElementHistogram.hpp>

+ Inheritance diagram for CDPL::MolProp::ElementHistogram:

Public Types

typedef std::shared_ptr< ElementHistogramSharedPointer
 
- Public Types inherited from CDPL::Util::Map< unsigned int, std::size_t, true >
typedef std::shared_ptr< MapSharedPointer
 A reference-counted smart pointer [SHPTR] for dynamically allocated Map instances. More...
 
typedef unsigned int KeyType
 The type of the map's keys. More...
 
typedef std::size_t ValueType
 The type of the mapped values. More...
 
typedef StorageType::value_type Entry
 The type of the key/value pairs stored in the map. More...
 
typedef StorageType::const_iterator ConstEntryIterator
 A constant iterator used to iterate over the entries of the map. More...
 
typedef StorageType::const_reverse_iterator ConstReverseEntryIterator
 A constant iterator used to iterate backwards over the entries of the map. More...
 
typedef StorageType::iterator EntryIterator
 A mutable iterator used to iterate over the entries of the map. More...
 
typedef StorageType::reverse_iterator ReverseEntryIterator
 A mutable iterator used to iterate backwards over the entries of the map. More...
 

Additional Inherited Members

- Public Member Functions inherited from CDPL::Util::Map< unsigned int, std::size_t, true >
 Map ()
 Creates an empty map. More...
 
 Map (const std::less< unsigned int > &func)
 Creates an empty map and uses func as key compare function. More...
 
 Map (const InputIter &first, const InputIter &last)
 Creates and initializes the map with copies of the key value pairs in the range [first, last). More...
 
 Map (const InputIter &first, const InputIter &last, const std::less< unsigned int > &func)
 Creates and initializes the map with copies of the key value pairs in the range [first, last) and uses func as key compare function. More...
 
virtual ~Map ()
 Virtual destructor. More...
 
StorageType & getData ()
 
const StorageType & getData () const
 
std::size_t getSize () const
 Returns the size (number of entries) of the map. More...
 
bool isEmpty () const
 Tells whether the map is empty (getSize() == 0). More...
 
void clear ()
 Erases all entries. More...
 
void swap (Map &map)
 Swaps the contents with map. More...
 
std::less< unsigned int > getKeyCompareFunction () const
 Returns the key compare function used by the map. More...
 
EntryIterator getEntry (const unsigned int &key)
 Returns a mutable iterator pointing to the entry specified by key. More...
 
ConstEntryIterator getEntry (const unsigned int &key) const
 Returns a constant iterator pointing to the entry specified by key. More...
 
bool containsEntry (const unsigned int &key) const
 Tells whether the map contains an entry with the specified key. More...
 
std::size_t & getValue (const unsigned int &key)
 Returns a non-const reference to the value associated with the specified key. More...
 
std::size_t & getValue (const unsigned int &key, std::size_t &def_value)
 Returns a non-const reference to the value associated with the specified key, or the value given by the second argument if the specified entry does not exist. More...
 
const std::size_t & getValue (const unsigned int &key) const
 Returns a const reference to the value associated with the specified key. More...
 
const std::size_t & getValue (const unsigned int &key, const std::size_t &def_value) const
 Returns a const reference to the value associated with the specified key, or the value given by the second argument if the specified entry does not exist. More...
 
std::size_t & operator[] (const unsigned int &key)
 Returns a non-const reference to the value associated with the specified key. More...
 
const std::size_t & operator[] (const unsigned int &key) const
 Returns a const reference to the value associated with the specified key. More...
 
void removeEntry (const EntryIterator &it)
 Removes the entry pointed to by the iterator it from the map. More...
 
bool removeEntry (const unsigned int &key)
 Removes the entry specified by key from the map. More...
 
void removeEntries (const EntryIterator &first, const EntryIterator &last)
 Removes all entries pointed to by the iterators in the range [first, last) from the map. More...
 
std::pair< EntryIterator, boolinsertEntry (const Entry &item)
 Tries to insert the key/value pair item into the map. More...
 
std::pair< EntryIterator, boolinsertEntry (const unsigned int &key, const std::size_t &value)
 Tries to insert a new entry with specified key and value into the map. More...
 
EntryIterator insertEntry (const EntryIterator &it, const Entry &item)
 Tries to insert the key/value pair item into the map and uses the iterator it as a hint for the insertion location. More...
 
EntryIterator insertEntry (const EntryIterator &it, const unsigned int &key, const std::size_t &value)
 Tries to insert a new entry with the specified key and value into the map and uses the iterator it as a hint for the insertion location. More...
 
EntryIterator setEntry (const Entry &item)
 Inserts a new entry or updates the value of an existing entry with the key and value given by item. More...
 
EntryIterator setEntry (const unsigned int &key, const std::size_t &value)
 Inserts a new entry or updates the value of an existing entry with the specified key and value. More...
 
void insertEntries (const InputIter &first, const InputIter &last)
 Tries to insert the key/value pairs in the range [first, last). More...
 
void setEntries (const InputIter &first, const InputIter &last)
 Inserts new entries or updates the value of existing entries using the key/value pairs in the range [first, last). More...
 
EntryIterator getLowerBound (const unsigned int &key)
 Returns a mutable iterator pointing to the first entry whose key is not less than the specified key. More...
 
ConstEntryIterator getLowerBound (const unsigned int &key) const
 Returns a constant iterator pointing to the first entry whose key is not less than the specified key. More...
 
EntryIterator getUpperBound (const unsigned int &key)
 Returns a mutable iterator pointing to the first entry whose key is greater than the specified key. More...
 
ConstEntryIterator getUpperBound (const unsigned int &key) const
 Returns a constant iterator pointing to the first entry whose key is greater than the specified key. More...
 
ConstEntryIterator getEntriesBegin () const
 Returns a constant iterator pointing to the beginning of the map. More...
 
EntryIterator getEntriesBegin ()
 Returns a mutable iterator pointing to the beginning of the map. More...
 
ConstEntryIterator getEntriesEnd () const
 Returns a constant iterator pointing to the end of the map. More...
 
EntryIterator getEntriesEnd ()
 Returns a mutable iterator pointing to the end of the map. More...
 
ConstEntryIterator begin () const
 Returns a constant iterator pointing to the beginning of the map. More...
 
EntryIterator begin ()
 Returns a mutable iterator pointing to the beginning of the map. More...
 
ConstEntryIterator end () const
 Returns a constant iterator pointing to the end of the map. More...
 
EntryIterator end ()
 Returns a mutable iterator pointing to the end of the map. More...
 
ConstReverseEntryIterator getEntriesReverseBegin () const
 Returns a constant iterator pointing to the beginning of the reversed map. More...
 
ReverseEntryIterator getEntriesReverseBegin ()
 Returns a mutable iterator pointing to the beginning of the reversed map. More...
 
ConstReverseEntryIterator getEntriesReverseEnd () const
 Returns a constant iterator pointing to the end of the reversed map. More...
 
ReverseEntryIterator getEntriesReverseEnd ()
 Returns a mutable iterator pointing to the end of the reversed map. More...
 
- Protected Member Functions inherited from CDPL::Util::Map< unsigned int, std::size_t, true >
virtual const char * getClassName () const
 Returns the name of the (derived) Map class. More...
 

Detailed Description

A data type for the storage of element histograms of chemical compounds.

ElementHistogram is an unique associative map where the keys specify the atom type (defined in namespace Chem::AtomType) of the chemical elements and the mapped integer values correspond to the element frequencies.

Member Typedef Documentation

◆ SharedPointer


The documentation for this class was generated from the following file: