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Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::cryst::WallpaperGroup Class Reference

#include <wallpaper.hh>

Public Member Functions

 WallpaperGroup ()
 
 WallpaperGroup (std::string name_in)
 
void set_wallpaper_group (std::string name_in)
 
numeric::xyzMatrix< core::Real >
const & 
f2c () const
 
numeric::xyzMatrix< core::Real >
const & 
c2f () const
 
core::Real A () const
 
core::Real B () const
 
core::Real alpha () const
 
core::Real volume () const
 
WallpaperGroupSetting setting () const
 
utility::vector1
< core::kinematics::RT > const & 
symmops () const
 
core::kinematics::RT symmop (core::Size i) const
 
core::Size nsymmops () const
 
CheshireCell cheshire_cell () const
 
core::Size minmult () const
 
void set_parameters (core::Real a_in, core::Real b_in, core::Real alpha_in)
 
std::string get_moveable_dofs () const
 
numeric::xyzVector< core::Sizeget_nsubdivisions ()
 
numeric::xyzVector< core::Sizeget_trans_dofs ()
 
core::Size get_nrot_dofs ()
 
std::string pdbname () const
 

Private Member Functions

void get_symmops (utility::vector1< core::kinematics::RT > &rt_out, CheshireCell &cc) const
 

Private Attributes

std::string name_
 
WallpaperGroupSetting setting_
 
numeric::xyzMatrix< core::Realf2c_
 
numeric::xyzMatrix< core::Realc2f_
 
core::Real a_
 
core::Real b_
 
core::Real alpha_
 
core::Real V_
 
core::Size ncopies_
 
utility::vector1
< core::kinematics::RT
symmops_
 
CheshireCell cc_
 

Constructor & Destructor Documentation

protocols::cryst::WallpaperGroup::WallpaperGroup ( )
protocols::cryst::WallpaperGroup::WallpaperGroup ( std::string  name_in)

References a_, alpha_, b_, ncopies_, set_wallpaper_group(), and V_.

Member Function Documentation

core::Real protocols::cryst::WallpaperGroup::A ( ) const
inline

References a_.

core::Real protocols::cryst::WallpaperGroup::alpha ( ) const
inline

References alpha_.

core::Real protocols::cryst::WallpaperGroup::B ( ) const
inline

References b_.

numeric::xyzMatrix<core::Real> const& protocols::cryst::WallpaperGroup::c2f ( ) const
inline

References c2f_.

CheshireCell protocols::cryst::WallpaperGroup::cheshire_cell ( ) const
inline

References cc_.

numeric::xyzMatrix<core::Real> const& protocols::cryst::WallpaperGroup::f2c ( ) const
inline

References f2c_.

std::string protocols::cryst::WallpaperGroup::get_moveable_dofs ( ) const
inline
core::Size protocols::cryst::WallpaperGroup::get_nrot_dofs ( )
inline
numeric::xyzVector<core::Size> protocols::cryst::WallpaperGroup::get_nsubdivisions ( )
inline
void protocols::cryst::WallpaperGroup::get_symmops ( utility::vector1< core::kinematics::RT > &  rt_out,
CheshireCell cc 
) const
private

References name_.

Referenced by get_moveable_dofs(), and set_wallpaper_group().

numeric::xyzVector<core::Size> protocols::cryst::WallpaperGroup::get_trans_dofs ( )
inline
core::Size protocols::cryst::WallpaperGroup::minmult ( ) const
inline
core::Size protocols::cryst::WallpaperGroup::nsymmops ( ) const
inline

References symmops_.

Referenced by get_nsubdivisions().

std::string protocols::cryst::WallpaperGroup::pdbname ( ) const

References name_.

void protocols::cryst::WallpaperGroup::set_parameters ( core::Real  a_in,
core::Real  b_in,
core::Real  alpha_in 
)
void protocols::cryst::WallpaperGroup::set_wallpaper_group ( std::string  name_in)
WallpaperGroupSetting protocols::cryst::WallpaperGroup::setting ( ) const
inline
core::kinematics::RT protocols::cryst::WallpaperGroup::symmop ( core::Size  i) const
inline

References symmops_.

utility::vector1<core::kinematics::RT> const& protocols::cryst::WallpaperGroup::symmops ( ) const
inline

References symmops_.

core::Real protocols::cryst::WallpaperGroup::volume ( ) const
inline

References V_.

Member Data Documentation

core::Real protocols::cryst::WallpaperGroup::a_
private
core::Real protocols::cryst::WallpaperGroup::alpha_
private
core::Real protocols::cryst::WallpaperGroup::b_
private
numeric::xyzMatrix<core::Real> protocols::cryst::WallpaperGroup::c2f_
private

Referenced by c2f(), and set_parameters().

CheshireCell protocols::cryst::WallpaperGroup::cc_
private
numeric::xyzMatrix<core::Real> protocols::cryst::WallpaperGroup::f2c_
private

Referenced by f2c(), and set_parameters().

std::string protocols::cryst::WallpaperGroup::name_
private
core::Size protocols::cryst::WallpaperGroup::ncopies_
private
WallpaperGroupSetting protocols::cryst::WallpaperGroup::setting_
private
utility::vector1<core::kinematics::RT> protocols::cryst::WallpaperGroup::symmops_
private
core::Real protocols::cryst::WallpaperGroup::V_
private

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