Rosetta 3.4
Public Member Functions
core::kinematics::ResidueCoordinateChangeList Class Reference

The AtomTree is responsible for informing the conformation of which residues have had either internal (DOF) or external (xyz) coordinate changes so that the Conformation may shuttle O(k) -- output sensitive -- data from the AtomTree to the Residue objects it manages. More...

#include <ResidueCoordinateChangeList.hh>

Inheritance diagram for core::kinematics::ResidueCoordinateChangeList:
Inheritance graph
[legend]
Collaboration diagram for core::kinematics::ResidueCoordinateChangeList:
Collaboration graph
[legend]

List of all members.

Public Member Functions

 ResidueCoordinateChangeList ()
virtual ~ResidueCoordinateChangeList ()
ResidueCoordinateChangeList const & operator= (ResidueCoordinateChangeList const &rhs)
void total_residue (Size total_residue)
 Set the number of residues in the conformation being tracked.
Size total_residue () const
 Return the number of.
bool empty () const
 Is the list of the changed residues empty?
void clear ()
 Reset the list of those residues that have moved. O(k).
void mark_residue_moved (id::AtomID atid)
 Mark a residue as having changed by passing in an AtomId for one atom in that residue.
void mark_residue_moved (Size resid)
 Mark a residue as having changed by passing in the index of that residue.
ResidueListIterator residues_moved_begin () const
 returns an iterator to the beginning of the (unordered) list of residues that have moved.
ResidueListIterator residues_moved_end () const
 returns an iterator to the end of the (unordered) list of residues that have moved.

Detailed Description

The AtomTree is responsible for informing the conformation of which residues have had either internal (DOF) or external (xyz) coordinate changes so that the Conformation may shuttle O(k) -- output sensitive -- data from the AtomTree to the Residue objects it manages.


Constructor & Destructor Documentation

core::kinematics::ResidueCoordinateChangeList::ResidueCoordinateChangeList ( )
core::kinematics::ResidueCoordinateChangeList::~ResidueCoordinateChangeList ( ) [virtual]

Member Function Documentation

void core::kinematics::ResidueCoordinateChangeList::clear ( )

Reset the list of those residues that have moved. O(k).

-- reset the residue_change_id_ for those residues which had previously changed

Referenced by operator=().

bool core::kinematics::ResidueCoordinateChangeList::empty ( ) const

Is the list of the changed residues empty?

Is the list of the changed residues empty? bool.

Referenced by total_residue().

void core::kinematics::ResidueCoordinateChangeList::mark_residue_moved ( id::AtomID  atid)

Mark a residue as having changed by passing in an AtomId for one atom in that residue.

References core::id::AtomID::rsd().

Referenced by core::kinematics::tree::Atom_::dfs(), and core::kinematics::tree::Atom_::transform_Ax_plus_b_recursive().

void core::kinematics::ResidueCoordinateChangeList::mark_residue_moved ( Size  resid)

Mark a residue as having changed by passing in the index of that residue.

References core::kinematics::tr().

ResidueCoordinateChangeList const & core::kinematics::ResidueCoordinateChangeList::operator= ( ResidueCoordinateChangeList const &  rhs)

References clear().

ResidueListIterator core::kinematics::ResidueCoordinateChangeList::residues_moved_begin ( ) const

returns an iterator to the beginning of the (unordered) list of residues that have moved.

ResidueListIterator core::kinematics::ResidueCoordinateChangeList::residues_moved_end ( ) const

returns an iterator to the end of the (unordered) list of residues that have moved.

void core::kinematics::ResidueCoordinateChangeList::total_residue ( Size  total_residue)

Set the number of residues in the conformation being tracked.

adding and deleting residues repeatedly should be O(1) so use the stl resize-with-argument command when resizing residue_change_id_. That way, if residue_change_id_ has reserved space of at least total_residue, then the resize will initialize exactly the number of new residues that have been added. In debug mode, this operation is O( total_residue ).

References empty(), and total_residue().

Size core::kinematics::ResidueCoordinateChangeList::total_residue ( ) const [inline]

Return the number of.

Referenced by total_residue().


The documentation for this class was generated from the following files:
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines