protocols::ligand_docking::ligand_options::Interface Class Reference

For each residue is it in the interface, a mobile region or a non-mobile region? More...

#include <Interface.hh>

Public Member Functions
	Interface (core::Size num, InterfaceInfo info)
core::Size	find_first_interface_residue (core::Size chain_begin, core::Size const chain_end) const
core::Size	find_start_of_next_interface_region (core::Size start_from, core::Size const chain_end) const
core::Size	find_stop_of_this_interface_region (core::Size start_from, core::Size const chain_end) const
void	enforce_minimum_length (core::Size const chain_begin, core::Size const chain_end, core::Size const window)
utility::vector1< core::Size >	get_interface_residues () const
utility::vector1< core::Size >	get_near_interface_residues () const
std::string	get_python_string () const
Public Member Functions inherited from utility::vector1< InterfaceInfo >
	vector1 (allocator_type const &alloc=allocator_type())
	vector1 (vector1 const &v)
	vector1 (vectorL< L_, T_, A_ > const &v)
	vector1 (super const &v)
	vector1 (std::vector< T_, A_ > const &v)
	vector1 (size_type const num)
	vector1 (size_type const num, value_type const &value, allocator_type const &alloc=allocator_type())
	vector1 (InputIterator const beg, InputIterator const end, allocator_type const &alloc=allocator_type())
virtual	~vector1 ()
vector1 &	operator= (vector1 const &v)
vector1 &	operator= (vectorL< L_, T_, A_ > const &v)
vector1 &	operator= (super const &v)
vector1 &	operator= (std::vector< T_, A_ > const &v)
int	index (InterfaceInfoconst t) const
bool	has_value (InterfaceInfoconst t) const

Private Member Functions
void	set_interface_residue (core::Size const potential_interface_residue_id, core::Size const ligand_interface_residue_id)

Additional Inherited Members
Public Types inherited from utility::vector1< InterfaceInfo >
typedef super::value_type	value_type
typedef super::reference	reference
typedef super::const_reference	const_reference
typedef super::pointer	pointer
typedef super::const_pointer	const_pointer
typedef super::iterator	iterator
typedef super::const_iterator	const_iterator
typedef super::reverse_iterator	reverse_iterator
typedef super::const_reverse_iterator	const_reverse_iterator
typedef super::size_type	size_type
typedef super::difference_type	difference_type
typedef super::allocator_type	allocator_type
typedef super::index_type	index_type
typedef super::ssize_type	ssize_type
typedef super::Value	Value
typedef super::Reference	Reference
typedef super::ConstReference	ConstReference
typedef super::Pointer	Pointer
typedef super::ConstPointer	ConstPointer
typedef super::Iterator	Iterator
typedef super::ConstIterator	ConstIterator
typedef super::ReverseIterator	ReverseIterator
typedef super::ConstReverseIterator	ConstReverseIterator
typedef super::Size	Size
typedef super::Difference	Difference
typedef super::Allocator	Allocator
typedef super::Index	Index
typedef super::SSize	SSize

Detailed Description

For each residue is it in the interface, a mobile region or a non-mobile region?

Constructor & Destructor Documentation

protocols::ligand_docking::ligand_options::Interface::Interface	(	core::Size	num,
		InterfaceInfo	info
	)

Member Function Documentation

void protocols::ligand_docking::ligand_options::Interface::enforce_minimum_length	(	core::Size const	chain_begin,
		core::Size const	chain_end,
		core::Size const	window
	)

References protocols::ligand_docking::ligand_options::InterfaceInfo::is_interface, protocols::ligand_docking::ligand_options::InterfaceInfo::near_interface, protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface, and type.

Referenced by protocols::ligand_docking::InterfaceBuilder::enforce_minimum_length().

core::Size protocols::ligand_docking::ligand_options::Interface::find_first_interface_residue	(	core::Size	chain_begin,
		core::Size const	chain_end
	)		const

References find_start_of_next_interface_region(), and protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface.

Referenced by protocols::ligand_docking::MinimizeBackbone::add_cut_points().

core::Size protocols::ligand_docking::ligand_options::Interface::find_start_of_next_interface_region	(	core::Size	start_from,
		core::Size const	chain_end
	)		const

References protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface, and type.

Referenced by protocols::ligand_docking::MinimizeBackbone::add_cut_points(), and find_first_interface_residue().

core::Size protocols::ligand_docking::ligand_options::Interface::find_stop_of_this_interface_region	(	core::Size	start_from,
		core::Size const	chain_end
	)		const

References protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface, and type.

Referenced by protocols::ligand_docking::MinimizeBackbone::add_cut_points().

utility::vector1< core::Size > protocols::ligand_docking::ligand_options::Interface::get_interface_residues

(

)

const

References at(), protocols::ligand_docking::ligand_options::InterfaceInfo::is_interface, and size().

Referenced by get_python_string().

utility::vector1< core::Size > protocols::ligand_docking::ligand_options::Interface::get_near_interface_residues

(

)

const

References at(), protocols::ligand_docking::ligand_options::InterfaceInfo::near_interface, and size().

Referenced by get_python_string().

std::string protocols::ligand_docking::ligand_options::Interface::get_python_string

(

)

const

References get_interface_residues(), and get_near_interface_residues().

Referenced by protocols::ligand_docking::ligand_options::operator<<().

void protocols::ligand_docking::ligand_options::Interface::set_interface_residue ( core::Size const  potential_interface_residue_id, core::Size const  ligand_interface_residue_id  )

private

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

• src/protocols/ligand_docking/ligand_options/Interface.hh
• src/protocols/ligand_docking/ligand_options/Interface.cc