#include <MMFF94HeavyToHydrogenAtomTypeMap.hpp>

Public Types
typedef std::shared_ptr< MMFF94HeavyToHydrogenAtomTypeMap >	SharedPointer

typedef DataStorage::const_iterator	ConstEntryIterator

typedef DataStorage::iterator	EntryIterator

typedef DataStorage::value_type	Entry

Public Member Functions
	MMFF94HeavyToHydrogenAtomTypeMap ()

void	addEntry (const std::string &parent_type, const std::string &hyd_type)

const std::string &	getEntry (const std::string &parent_type) const

std::size_t	getNumEntries () const

void	clear ()

bool	removeEntry (const std::string &parent_type)

EntryIterator	removeEntry (const EntryIterator &it)

ConstEntryIterator	getEntriesBegin () const

ConstEntryIterator	getEntriesEnd () const

EntryIterator	getEntriesBegin ()

EntryIterator	getEntriesEnd ()

ConstEntryIterator	begin () const

ConstEntryIterator	end () const

EntryIterator	begin ()

EntryIterator	end ()

void	load (std::istream &is)

void	loadDefaults ()

Static Public Member Functions
static void	set (const SharedPointer &map)

static const SharedPointer &	get ()

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<MMFF94HeavyToHydrogenAtomTypeMap> CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::SharedPointer

◆ ConstEntryIterator

typedef DataStorage::const_iterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::ConstEntryIterator

◆ EntryIterator

typedef DataStorage::iterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::EntryIterator

◆ Entry

typedef DataStorage::value_type CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::Entry

Constructor & Destructor Documentation

◆ MMFF94HeavyToHydrogenAtomTypeMap()

CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::MMFF94HeavyToHydrogenAtomTypeMap ( )

Member Function Documentation

◆ addEntry()

void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::addEntry	(	const std::string &	parent_type,
		const std::string &	hyd_type
	)

◆ getEntry()

const std::string& CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntry ( const std::string & parent_type ) const

◆ getNumEntries()

std::size_t CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getNumEntries ( ) const

◆ clear()

void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::clear ( )

◆ removeEntry() [1/2]

bool CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::removeEntry ( const std::string & parent_type )

◆ removeEntry() [2/2]

EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::removeEntry ( const EntryIterator & it )

◆ getEntriesBegin() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesBegin ( ) const

◆ getEntriesEnd() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesEnd ( ) const

◆ getEntriesBegin() [2/2]

EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesBegin ( )

◆ getEntriesEnd() [2/2]

EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::getEntriesEnd ( )

◆ begin() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::begin ( ) const

◆ end() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::end ( ) const

◆ begin() [2/2]

EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::begin ( )

◆ end() [2/2]

EntryIterator CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::end ( )

◆ load()

void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::load ( std::istream & is )

◆ loadDefaults()

void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::loadDefaults ( )

◆ set()

static void CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::set ( const SharedPointer & map )

static

◆ get()

static const SharedPointer& CDPL::ForceField::MMFF94HeavyToHydrogenAtomTypeMap::get ( )