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Public Types | Public Member Functions | Private Attributes | Friends | List of all members
core::optimization::DOF_Node Class Reference

#include <DOF_Node.hh>

Inheritance diagram for core::optimization::DOF_Node:
Inheritance graph
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Public Types

typedef id::AtomID AtomID
 
typedef utility::vector1< AtomIDAtomIDs
 
typedef id::DOF_ID DOF_ID
 
typedef id::TorsionID TorsionID
 
typedef id::DOF_Type DOF_Type
 

Public Member Functions

std::string to_string () const
 
VectorF1 ()
 
VectorF2 ()
 
Vector const & F1 () const
 
Vector const & F2 () const
 
int rsd () const
 
int atomno () const
 
AtomID const & atom_id () const
 
DOF_Type type () const
 
DOF_ID const & dof_id () const
 
int depth () const
 
AtomIDs const & atoms () const
 
DOF_NodeCOP parent () const
 
void clear_atoms ()
 
void add_atom (AtomID const &atom)
 
TorsionID const & torsion_id () const
 get the rosetta torsion id for this DOF More...
 
void torsion_id (id::TorsionID const &id_in)
 set the rosetta torsion id for this DOF More...
 
void link_vectors ()
 sum derivative contributions down the tree More...
 
 DOF_Node (DOF_ID const &id_in, DOF_NodeOP parent_in)
 
void set_id (DOF_ID const &setting)
 
void set_parent (DOF_NodeOP setting)
 
bool dependent () const
 
void dependent (bool const setting)
 

Private Attributes

Vector F1_
 
Vector F2_
 
int depth_
 
DOF_ID id
 
AtomIDs atoms_
 
DOF_NodeOP parent_
 
TorsionID torsion_id_
 
bool dependent_
 

Friends

bool operator< (DOF_Node const &t1, DOF_Node const &t2)
 

Member Typedef Documentation

typedef utility::vector1< AtomID > core::optimization::DOF_Node::AtomIDs

Constructor & Destructor Documentation

core::optimization::DOF_Node::DOF_Node ( DOF_ID const &  id_in,
DOF_NodeOP  parent_in 
)
inline

Member Function Documentation

void core::optimization::DOF_Node::add_atom ( AtomID const &  atom)
inline

References atoms_.

AtomID const& core::optimization::DOF_Node::atom_id ( ) const
inline
int core::optimization::DOF_Node::atomno ( ) const
inline
AtomIDs const& core::optimization::DOF_Node::atoms ( ) const
inline
void core::optimization::DOF_Node::clear_atoms ( )
inline

References atoms_.

bool core::optimization::DOF_Node::dependent ( ) const
inline
void core::optimization::DOF_Node::dependent ( bool const  setting)
inline

References dependent_.

int core::optimization::DOF_Node::depth ( ) const
inline
DOF_ID const& core::optimization::DOF_Node::dof_id ( ) const
inline
Vector& core::optimization::DOF_Node::F1 ( )
inline
Vector const& core::optimization::DOF_Node::F1 ( ) const
inline

References F1_.

Vector& core::optimization::DOF_Node::F2 ( )
inline
Vector const& core::optimization::DOF_Node::F2 ( ) const
inline

References F2_.

void core::optimization::DOF_Node::link_vectors ( )
inline
DOF_NodeCOP core::optimization::DOF_Node::parent ( ) const
inline
int core::optimization::DOF_Node::rsd ( ) const
inline
void core::optimization::DOF_Node::set_id ( DOF_ID const &  setting)
inline
void core::optimization::DOF_Node::set_parent ( DOF_NodeOP  setting)
inline

References parent_.

std::string core::optimization::DOF_Node::to_string ( ) const
inline

References F1_, and F2_.

TorsionID const& core::optimization::DOF_Node::torsion_id ( ) const
inline
void core::optimization::DOF_Node::torsion_id ( id::TorsionID const &  id_in)
inline

set the rosetta torsion id for this DOF

This may not exist, of course. But it's useful to know what it is when calculating derivatives of terms like rama/dunbrack/paa

References torsion_id_.

DOF_Type core::optimization::DOF_Node::type ( ) const
inline

Friends And Related Function Documentation

bool operator< ( DOF_Node const &  t1,
DOF_Node const &  t2 
)
friend

Member Data Documentation

AtomIDs core::optimization::DOF_Node::atoms_
private

Referenced by add_atom(), atoms(), and clear_atoms().

bool core::optimization::DOF_Node::dependent_
private

Referenced by dependent().

int core::optimization::DOF_Node::depth_
mutableprivate

Referenced by depth().

Vector core::optimization::DOF_Node::F1_
private

Referenced by F1(), link_vectors(), and to_string().

Vector core::optimization::DOF_Node::F2_
private

Referenced by F2(), link_vectors(), and to_string().

DOF_ID core::optimization::DOF_Node::id
private

Referenced by dof_id().

DOF_NodeOP core::optimization::DOF_Node::parent_
private
TorsionID core::optimization::DOF_Node::torsion_id_
private

Referenced by torsion_id().


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