protocols::sewing::data_storage::LigandResidue Class Reference

a minimal container for SEWING residues More...

#include <LigandResidue.hh>

Inheritance diagram for protocols::sewing::data_storage::LigandResidue:

Public Member Functions
	LigandResidue ()
	a minimal container for SEWING residues More...
	LigandResidue (LigandResidue const &src)
LigandResidueOP	clone () const
utility::vector1 < LigandContactOP > const &	get_current_contacts () const
utility::vector1 < LigandContactOP > &	get_nonconst_current_contacts ()
data_storage::LigandSegmentOP	get_owner_segment () const
data_storage::LigandSegmentOP	get_nonconst_owner_segment ()
void	add_contact (LigandContactOP contact)
void	set_contacts (utility::vector1< LigandContactOP > contacts)
void	set_owner_segment (data_storage::LigandSegmentOP owner)
core::Size	get_ligand_id () const
void	set_ligand_id (core::Size)
utility::vector1< core::Size >	get_alignment_atoms () const
void	set_alignment_atoms (utility::vector1< core::Size >)
void	add_ideal_contact (hashing::IdealContact contact)
std::map< core::Size, hashing::IdealContact > const &	get_ideal_contacts () const
bool	get_partner_ligand () const
void	set_partner_ligand (bool input)
Public Member Functions inherited from protocols::sewing::data_storage::SmartSewingResidue
	SmartSewingResidue ()
	SmartSewingResidue (SmartSewingResidue const &src)
	~SmartSewingResidue () override
SmartSewingResidueOP	clone () const
void	set_atom_vector (utility::vector1< core::conformation::Atom > new_atom_vector)
utility::vector1 < core::conformation::Atom > &	get_atom_vector ()
utility::vector1 < core::conformation::Atom > const &	get_const_atom_vector () const
core::conformation::Atom &	get_atom (core::Size atom_number)
void	set_chis (utility::vector1< core::Real > new_chis)
utility::vector1< core::Real >	get_chis () const
void	set_amino_acid_type (std::string new_amino_acid_type)
std::string	get_amino_acid_type () const
void	set_type (PolymericType)
PolymericType	get_type ()
std::string	get_full_type_name () const
void	set_full_type_name (std::string const &type)
void	become (SmartSewingResidueCOP residue_to_become)

Private Attributes
utility::vector1< LigandContactOP >	current_contacts_
data_storage::LigandSegmentOP	owner_segment_
core::Size	ligand_id_
utility::vector1< core::Size >	alignment_atoms_
std::map< core::Size, hashing::IdealContact >	ideal_contacts_
bool	partner_ligand_ = false

Detailed Description

a minimal container for SEWING residues

Constructor & Destructor Documentation

protocols::sewing::data_storage::LigandResidue::LigandResidue

(

)

a minimal container for SEWING residues

References alignment_atoms_, current_contacts_, and owner_segment_.

protocols::sewing::data_storage::LigandResidue::LigandResidue

(

LigandResidue const &

src

)

References alignment_atoms_, current_contacts_, get_alignment_atoms(), get_current_contacts(), get_ideal_contacts(), get_ligand_id(), get_owner_segment(), ideal_contacts_, ligand_id_, and owner_segment_.

Member Function Documentation

void protocols::sewing::data_storage::LigandResidue::add_contact

(

LigandContactOP

contact

)

References current_contacts_.

void protocols::sewing::data_storage::LigandResidue::add_ideal_contact

(

hashing::IdealContact

contact

)

References ideal_contacts_, and protocols::sewing::hashing::IdealContact::ligand_atom.

LigandResidueOP protocols::sewing::data_storage::LigandResidue::clone

(

)

const

utility::vector1< core::Size > protocols::sewing::data_storage::LigandResidue::get_alignment_atoms

(

)

const

References alignment_atoms_.

Referenced by LigandResidue().

utility::vector1< LigandContactOP > const & protocols::sewing::data_storage::LigandResidue::get_current_contacts

(

)

const

References current_contacts_.

Referenced by LigandResidue().

std::map< core::Size, hashing::IdealContact > const & protocols::sewing::data_storage::LigandResidue::get_ideal_contacts

(

)

const

References ideal_contacts_.

Referenced by LigandResidue().

core::Size protocols::sewing::data_storage::LigandResidue::get_ligand_id

(

)

const

References ligand_id_.

Referenced by LigandResidue().

utility::vector1< LigandContactOP > & protocols::sewing::data_storage::LigandResidue::get_nonconst_current_contacts

(

)

References current_contacts_.

data_storage::LigandSegmentOP protocols::sewing::data_storage::LigandResidue::get_nonconst_owner_segment

(

)

References owner_segment_.

data_storage::LigandSegmentOP protocols::sewing::data_storage::LigandResidue::get_owner_segment

(

)

const

References owner_segment_.

Referenced by LigandResidue().

bool protocols::sewing::data_storage::LigandResidue::get_partner_ligand ( ) const

inline

References partner_ligand_.

void protocols::sewing::data_storage::LigandResidue::set_alignment_atoms

(

utility::vector1< core::Size >

atoms

)

References alignment_atoms_.

void protocols::sewing::data_storage::LigandResidue::set_contacts

(

utility::vector1< LigandContactOP >

contacts

)

References current_contacts_.

void protocols::sewing::data_storage::LigandResidue::set_ligand_id

(

core::Size

id

)

References ligand_id_.

void protocols::sewing::data_storage::LigandResidue::set_owner_segment

(

data_storage::LigandSegmentOP

owner

)

References owner_segment_.

void protocols::sewing::data_storage::LigandResidue::set_partner_ligand ( bool  input )

inline

References partner_ligand_.

Member Data Documentation

utility::vector1< core::Size > protocols::sewing::data_storage::LigandResidue::alignment_atoms_

private

Referenced by get_alignment_atoms(), LigandResidue(), and set_alignment_atoms().

utility::vector1< LigandContactOP > protocols::sewing::data_storage::LigandResidue::current_contacts_

private

Referenced by add_contact(), get_current_contacts(), get_nonconst_current_contacts(), LigandResidue(), and set_contacts().

std::map< core::Size, hashing::IdealContact > protocols::sewing::data_storage::LigandResidue::ideal_contacts_

private

Referenced by add_ideal_contact(), get_ideal_contacts(), and LigandResidue().

core::Size protocols::sewing::data_storage::LigandResidue::ligand_id_

private

Referenced by get_ligand_id(), LigandResidue(), and set_ligand_id().

data_storage::LigandSegmentOP protocols::sewing::data_storage::LigandResidue::owner_segment_

private

Referenced by get_nonconst_owner_segment(), get_owner_segment(), LigandResidue(), and set_owner_segment().

bool protocols::sewing::data_storage::LigandResidue::partner_ligand_ = false

private

Referenced by get_partner_ligand(), and set_partner_ligand().

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

• src/protocols/sewing/data_storage/LigandResidue.hh
• src/protocols/sewing/data_storage/LigandResidue.cc