Public Types
typedef std::vector< ShellIndexWithValue >	index_list

typedef std::unordered_set< ShellIndexWithValue, detail::hash_< ShellIndexWithValue >, detail::index_equal_ >	index_set

typedef index_list::const_iterator	index_iterator

typedef basis_element_with_value_iterator< ShellDataWithValue, index_iterator >	iterator

typedef basis_element_with_value_iterator< const ShellDataWithValue, index_iterator >	const_iterator

Public Member Functions
	OrderedShellList (bool sort_by_value=true)

template<typename Iterable >
	OrderedShellList (const Iterable &indices_in, GaussianBasisSet basis, GaussianBasisSet dfbasis=0)

	OrderedShellList (const OrderedShellList &other)

void	add_to_aux_value (const double add_val)

double	get_aux_value () const

void	set_basis (GaussianBasisSet basis, GaussianBasisSet dfbasis=0)

void	insert (const ShellData &ish, double value=0, int nbf_in=0)

size_t	size () const

void	set_sort_by_value (bool new_srt=true)

double	value_for_index (int index)

void	sort (bool transfer_idx_set=true)

void	acquire_and_sort (ShellIndexWithValue *new_data, size_t n_new_data)

template<typename ValueIterable >
void	acquire_and_sort (const ValueIterable &val_iter, double cutoff=0.0)

void	acquire_and_sort (const double *vals, size_t n_vals, double cutoff=0.0, bool sort_by_val=true)

template<typename IndexIterable >
void	acquire_and_sort (const IndexIterable &idxs_in, const double *vals_in, double cutoff=0.0, bool sort_by_val=true)

template<typename IndexIterable >
OrderedShellList	intersection_with (const IndexIterable &other_indices)

iterator	begin ()

const_iterator	begin () const

index_iterator	index_begin () const

iterator	end ()

const_iterator	end () const

index_iterator	index_end () const

const index_list &	unsorted_indices ()

void	clear ()

Friends
std::ostream &	operator<< (std::ostream &out, const OrderedShellList &list)

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

Public Types

Public Member Functions