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Chemical Data Processing Library C++ API - Version 1.2.0
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Chemical Data Processing Library C++ API - Version 1.2.0
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A data type for the storage of mass percent compositions of chemical compounds. More...
#include <MassComposition.hpp>
Inheritance diagram for CDPL::MolProp::MassComposition:Public Types | |
| typedef std::shared_ptr< MassComposition > | SharedPointer |
| Public Types inherited from CDPL::Util::Map< unsigned int, double, true > | |
| typedef std::shared_ptr< Map > | SharedPointer |
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 double | 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, double, 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... | |
| double & | getValue (const unsigned int &key) |
Returns a non-const reference to the value associated with the specified key. More... | |
| double & | getValue (const unsigned int &key, double &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 double & | getValue (const unsigned int &key) const |
Returns a const reference to the value associated with the specified key. More... | |
| const double & | getValue (const unsigned int &key, const double &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... | |
| double & | operator[] (const unsigned int &key) |
Returns a non-const reference to the value associated with the specified key. More... | |
| const double & | 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, bool > | insertEntry (const Entry &item) |
| Tries to insert the key/value pair item into the map. More... | |
| std::pair< EntryIterator, bool > | insertEntry (const unsigned int &key, const double &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 double &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 double &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... | |
A data type for the storage of mass percent compositions of chemical compounds.
MassComposition is an unique associative map where the keys specify the atom type (defined in namespace Chem::AtomType) of the chemical elements and the mapped floating-point values correspond to the percentage contribution of the elements to the total mass of the compound.
| typedef std::shared_ptr<MassComposition> CDPL::MolProp::MassComposition::SharedPointer |
1.9.1