#include <MMFF94BondStretchingRuleParameterTable.hpp>

Classes
class	Entry

Public Types
typedef std::shared_ptr< MMFF94BondStretchingRuleParameterTable >	SharedPointer

typedef boost::transform_iterator< std::function< const Entry &(const DataStorage::value_type &)>, DataStorage::const_iterator >	ConstEntryIterator

typedef boost::transform_iterator< std::function< Entry &(DataStorage::value_type &)>, DataStorage::iterator >	EntryIterator

Public Member Functions
	MMFF94BondStretchingRuleParameterTable ()

void	addEntry (unsigned int atomic_no1, unsigned int atomic_no2, double force_const, double ref_length)

const Entry &	getEntry (unsigned int atomic_no1, unsigned int atomic_no2) const

std::size_t	getNumEntries () const

void	clear ()

bool	removeEntry (unsigned int atomic_no1, unsigned int atomic_no2)

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 &table)

static const SharedPointer &	get ()

Member Typedef Documentation

◆ SharedPointer

typedef std::shared_ptr<MMFF94BondStretchingRuleParameterTable> CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::SharedPointer

◆ ConstEntryIterator

typedef boost::transform_iterator<std::function<const Entry&(const DataStorage::value_type&)>, DataStorage::const_iterator> CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::ConstEntryIterator

◆ EntryIterator

typedef boost::transform_iterator<std::function<Entry&(DataStorage::value_type&)>, DataStorage::iterator> CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::EntryIterator

Constructor & Destructor Documentation

◆ MMFF94BondStretchingRuleParameterTable()

CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::MMFF94BondStretchingRuleParameterTable ( )

Member Function Documentation

◆ addEntry()

void CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::addEntry	(	unsigned int	atomic_no1,
		unsigned int	atomic_no2,
		double	force_const,
		double	ref_length
	)

◆ getEntry()

const Entry& CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::getEntry	(	unsigned int	atomic_no1,
		unsigned int	atomic_no2
	)		const

◆ getNumEntries()

std::size_t CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::getNumEntries ( ) const

◆ clear()

void CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::clear ( )

◆ removeEntry() [1/2]

bool CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::removeEntry	(	unsigned int	atomic_no1,
		unsigned int	atomic_no2
	)

◆ removeEntry() [2/2]

EntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::removeEntry ( const EntryIterator & it )

◆ getEntriesBegin() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::getEntriesBegin ( ) const

◆ getEntriesEnd() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::getEntriesEnd ( ) const

◆ getEntriesBegin() [2/2]

EntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::getEntriesBegin ( )

◆ getEntriesEnd() [2/2]

EntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::getEntriesEnd ( )

◆ begin() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::begin ( ) const

◆ end() [1/2]

ConstEntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::end ( ) const

◆ begin() [2/2]

EntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::begin ( )

◆ end() [2/2]

EntryIterator CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::end ( )

◆ load()

void CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::load ( std::istream & is )

◆ loadDefaults()

void CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::loadDefaults ( )

◆ set()

static void CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::set ( const SharedPointer & table )

static

◆ get()

static const SharedPointer& CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::get ( )