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core::conformation::symmetry::SymDof Class Reference

#include <SymDof.hh>

Public Member Functions

 SymDof ()
 constructor More...
 
 SymDof (SymDof const &src)
 copy constructor More...
 
SymDof & operator= (SymDof const &src)
 
 ~SymDof ()
 
void add_dof_from_string (utility::vector1< std::string > dof_string)
 
void read (std::string dof_line)
 
bool allow_dof (int df) const
 
void set_allow_dof (int df, bool newval)
 
bool has_dof ()
 
core::Real range1_lower (int df) const
 
core::Real range1_upper (int df) const
 
core::Real range2_lower (int df) const
 
core::Real range2_upper (int df) const
 
bool has_range1 (int df) const
 
bool has_range2 (int df) const
 
bool has_range1_lower (int df) const
 
bool has_range1_upper (int df) const
 
bool has_range2_lower (int df) const
 
bool has_range2_upper (int df) const
 
bool range2_is_bound (int df) const
 
int jump_direction (int df) const
 

Private Attributes

utility::vector1< bool > range2_is_bound_
 
utility::vector1< bool > allowed_dof_jumps_
 
utility::vector1< Real > lower_range_dof_jumps1_
 
utility::vector1< Real > upper_range_dof_jumps1_
 
utility::vector1< Real > lower_range_dof_jumps2_
 
utility::vector1< Real > upper_range_dof_jumps2_
 
utility::vector1< bool > has_range1_lower_
 
utility::vector1< bool > has_range1_upper_
 
utility::vector1< bool > has_range2_lower_
 
utility::vector1< bool > has_range2_upper_
 
utility::vector1< int > jump_dir_
 

Friends

std::ostream & operator<< (std::ostream &s, const SymDof &dof)
 
bool operator== (SymDof const &a, SymDof const &b)
 
bool operator!= (SymDof const &a, SymDof const &b)
 

Constructor & Destructor Documentation

◆ SymDof() [1/2]

core::conformation::symmetry::SymDof::SymDof ( )

constructor

References allowed_dof_jumps_, has_range1_lower_, has_range1_upper_, has_range2_lower_, has_range2_upper_, jump_dir_, lower_range_dof_jumps1_, lower_range_dof_jumps2_, range2_is_bound_, upper_range_dof_jumps1_, and upper_range_dof_jumps2_.

◆ SymDof() [2/2]

core::conformation::symmetry::SymDof::SymDof ( SymDof const &  src)
default

copy constructor

◆ ~SymDof()

core::conformation::symmetry::SymDof::~SymDof ( )
default

Member Function Documentation

◆ add_dof_from_string()

void core::conformation::symmetry::SymDof::add_dof_from_string ( utility::vector1< std::string >  dof_string)

References read().

Referenced by core::conformation::symmetry::SymmData::read_symmetry_data_from_stream().

◆ allow_dof()

bool core::conformation::symmetry::SymDof::allow_dof ( int  df) const

References allowed_dof_jumps_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofRandomizeMover::apply(), protocols::rigid::RigidBodyDofTransMover::apply(), protocols::rigid::RigidBodyDofPerturbMover::apply(), has_dof(), core::pose::symmetry::make_symmetric_movemap(), protocols::cryst::DockLatticeMover::perturb_rb(), protocols::rigid::RigidBodyDofRandomTransMover::RigidBodyDofRandomTransMover(), protocols::rigid::RigidBodyDofSeqTransMover::RigidBodyDofSeqTransMover(), protocols::rigid::RigidBodyDofTransMover::RigidBodyDofTransMover(), protocols::symmetry::SymmetrySlider::setup(), and core::conformation::symmetry::SymmData::show().

◆ has_dof()

bool core::conformation::symmetry::SymDof::has_dof ( )

References allow_dof(), core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

◆ has_range1()

bool core::conformation::symmetry::SymDof::has_range1 ( int  df) const

References has_range1_lower_, and has_range1_upper_.

Referenced by protocols::rigid::RigidBodyDofRandomizeMover::apply().

◆ has_range1_lower()

bool core::conformation::symmetry::SymDof::has_range1_lower ( int  df) const

References has_range1_lower_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofRandomizeMover::apply().

◆ has_range1_upper()

bool core::conformation::symmetry::SymDof::has_range1_upper ( int  df) const

References has_range1_upper_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

◆ has_range2()

bool core::conformation::symmetry::SymDof::has_range2 ( int  df) const

References has_range2_lower_, and has_range2_upper_.

◆ has_range2_lower()

bool core::conformation::symmetry::SymDof::has_range2_lower ( int  df) const

References has_range2_lower_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofTransMover::apply(), and protocols::rigid::RigidBodyDofPerturbMover::apply().

◆ has_range2_upper()

bool core::conformation::symmetry::SymDof::has_range2_upper ( int  df) const

References has_range2_upper_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

◆ jump_direction()

int core::conformation::symmetry::SymDof::jump_direction ( int  df) const

References jump_dir_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofRandomizeMover::apply(), protocols::rigid::RigidBodyDofPerturbMover::apply(), protocols::rigid::RigidBodyDofTransMover::RigidBodyDofTransMover(), and core::conformation::symmetry::SymmData::show().

◆ operator=()

SymDof & core::conformation::symmetry::SymDof::operator= ( SymDof const &  src)

References allowed_dof_jumps_, has_range1_lower_, has_range1_upper_, has_range2_lower_, has_range2_upper_, jump_dir_, lower_range_dof_jumps1_, lower_range_dof_jumps2_, range2_is_bound_, upper_range_dof_jumps1_, and upper_range_dof_jumps2_.

◆ range1_lower()

core::Real core::conformation::symmetry::SymDof::range1_lower ( int  df) const

References lower_range_dof_jumps1_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofRandomizeMover::apply(), and core::conformation::symmetry::SymmData::show().

◆ range1_upper()

core::Real core::conformation::symmetry::SymDof::range1_upper ( int  df) const

References upper_range_dof_jumps1_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofRandomizeMover::apply(), and core::conformation::symmetry::SymmData::show().

◆ range2_is_bound()

bool core::conformation::symmetry::SymDof::range2_is_bound ( int  df) const

References range2_is_bound_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofTransMover::apply(), and protocols::rigid::RigidBodyDofPerturbMover::apply().

◆ range2_lower()

core::Real core::conformation::symmetry::SymDof::range2_lower ( int  df) const

References lower_range_dof_jumps2_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofTransMover::apply(), protocols::rigid::RigidBodyDofPerturbMover::apply(), and core::conformation::symmetry::SymmData::show().

◆ range2_upper()

core::Real core::conformation::symmetry::SymDof::range2_upper ( int  df) const

References upper_range_dof_jumps2_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Referenced by protocols::rigid::RigidBodyDofTransMover::apply(), protocols::rigid::RigidBodyDofPerturbMover::apply(), and core::conformation::symmetry::SymmData::show().

◆ read()

void core::conformation::symmetry::SymDof::read ( std::string  dof_line)

References allowed_dof_jumps_, has_range1_lower_, has_range1_upper_, has_range2_lower_, has_range2_upper_, jump_dir_, lower_range_dof_jumps1_, lower_range_dof_jumps2_, range2_is_bound_, protocols::forge::methods::replace(), protocols::sparta::split(), upper_range_dof_jumps1_, upper_range_dof_jumps2_, core::conformation::symmetry::X_ANGLE_DOF, core::conformation::symmetry::X_DOF, core::conformation::symmetry::Y_ANGLE_DOF, core::conformation::symmetry::Y_DOF, core::conformation::symmetry::Z_ANGLE_DOF, and core::conformation::symmetry::Z_DOF.

Referenced by add_dof_from_string(), protocols::cryst::MakeLatticeMover::setup_xtal_symminfo(), and protocols::cryst::MakeLayerMover::setup_xtal_symminfo().

◆ set_allow_dof()

void core::conformation::symmetry::SymDof::set_allow_dof ( int  df,
bool  newval 
)

References allowed_dof_jumps_, core::conformation::symmetry::X_DOF, and core::conformation::symmetry::Z_ANGLE_DOF.

Friends And Related Function Documentation

◆ operator!=

bool operator!= ( SymDof const &  a,
SymDof const &  b 
)
friend

◆ operator<<

std::ostream& operator<< ( std::ostream &  s,
const SymDof &  dof 
)
friend

◆ operator==

bool operator== ( SymDof const &  a,
SymDof const &  b 
)
friend

Member Data Documentation

◆ allowed_dof_jumps_

utility::vector1< bool > core::conformation::symmetry::SymDof::allowed_dof_jumps_
private

Referenced by allow_dof(), operator=(), read(), set_allow_dof(), and SymDof().

◆ has_range1_lower_

utility::vector1< bool > core::conformation::symmetry::SymDof::has_range1_lower_
private

Referenced by has_range1(), has_range1_lower(), operator=(), read(), and SymDof().

◆ has_range1_upper_

utility::vector1< bool > core::conformation::symmetry::SymDof::has_range1_upper_
private

Referenced by has_range1(), has_range1_upper(), operator=(), read(), and SymDof().

◆ has_range2_lower_

utility::vector1< bool > core::conformation::symmetry::SymDof::has_range2_lower_
private

Referenced by has_range2(), has_range2_lower(), operator=(), read(), and SymDof().

◆ has_range2_upper_

utility::vector1< bool > core::conformation::symmetry::SymDof::has_range2_upper_
private

Referenced by has_range2(), has_range2_upper(), operator=(), read(), and SymDof().

◆ jump_dir_

utility::vector1< int > core::conformation::symmetry::SymDof::jump_dir_
private

Referenced by jump_direction(), operator=(), read(), and SymDof().

◆ lower_range_dof_jumps1_

utility::vector1< Real > core::conformation::symmetry::SymDof::lower_range_dof_jumps1_
private

Referenced by operator=(), range1_lower(), read(), and SymDof().

◆ lower_range_dof_jumps2_

utility::vector1< Real > core::conformation::symmetry::SymDof::lower_range_dof_jumps2_
private

Referenced by operator=(), range2_lower(), read(), and SymDof().

◆ range2_is_bound_

utility::vector1< bool > core::conformation::symmetry::SymDof::range2_is_bound_
private

Referenced by operator=(), range2_is_bound(), read(), and SymDof().

◆ upper_range_dof_jumps1_

utility::vector1< Real > core::conformation::symmetry::SymDof::upper_range_dof_jumps1_
private

Referenced by operator=(), range1_upper(), read(), and SymDof().

◆ upper_range_dof_jumps2_

utility::vector1< Real > core::conformation::symmetry::SymDof::upper_range_dof_jumps2_
private

Referenced by operator=(), range2_upper(), read(), and SymDof().

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