core::io::CrystInfo Class Reference

#include <CrystInfo.hh>

Public Member Functions
	CrystInfo ()
	default constructor to initialize all values More...
Real	A () const
void	A (Real Ain)
Real	B () const
void	B (Real Bin)
Real	C () const
void	C (Real Cin)
Real	alpha () const
void	alpha (Real alphain)
Real	beta () const
void	beta (Real betain)
Real	gamma () const
void	gamma (Real gammain)
std::string	spacegroup () const
void	spacegroup (std::string spacegroupin)

Private Attributes
Real	A_
	For now, all member names have the same names as fields in PDB standard. More...
Real	B_
Real	C_
Real	alpha_
Real	beta_
Real	gamma_
std::string	spacegroup_

Friends
std::ostream &	operator<< (std::ostream &os, CrystInfo const &ci)
	Debug printing, serialazing to Tracer like object. More...

Constructor & Destructor Documentation

core::io::CrystInfo::CrystInfo ( )

inline

default constructor to initialize all values

Member Function Documentation

Real core::io::CrystInfo::A ( ) const

inline

References A_.

Referenced by protocols::simple_moves::PeriodicBoxMover::apply(), protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLayerMover::apply(), protocols::cryst::DockLatticeMover::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::simple_moves::PeriodicBoxMover::dump_ASU(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), protocols::cryst::DockLatticeMover::regenerate_lattice(), protocols::simple_moves::PeriodicBoxMover::setup_pose(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::A ( Real  Ain )

inline

References A_.

Real core::io::CrystInfo::alpha ( ) const

inline

References alpha_.

Referenced by protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), protocols::cryst::DockLatticeMover::regenerate_lattice(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::alpha ( Real  alphain )

inline

References alpha_.

Real core::io::CrystInfo::B ( ) const

inline

References B_.

Referenced by protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLayerMover::apply(), protocols::cryst::DockLatticeMover::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), protocols::cryst::DockLatticeMover::regenerate_lattice(), protocols::simple_moves::PeriodicBoxMover::setup_pose(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::B ( Real  Bin )

inline

References B_.

Real core::io::CrystInfo::beta ( ) const

inline

References beta_.

Referenced by protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLayerMover::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), protocols::cryst::DockLatticeMover::regenerate_lattice(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::beta ( Real  betain )

inline

References beta_.

Real core::io::CrystInfo::C ( ) const

inline

References C_.

Referenced by protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLayerMover::apply(), protocols::cryst::DockLatticeMover::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), protocols::cryst::DockLatticeMover::regenerate_lattice(), protocols::simple_moves::PeriodicBoxMover::setup_pose(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::C ( Real  Cin )

inline

References C_.

Real core::io::CrystInfo::gamma ( ) const

inline

References gamma_.

Referenced by protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLayerMover::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), protocols::cryst::DockLatticeMover::regenerate_lattice(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::gamma ( Real  gammain )

inline

References gamma_.

std::string core::io::CrystInfo::spacegroup ( ) const

inline

References spacegroup_.

Referenced by protocols::cryst::CrystRMS::apply(), protocols::cryst::MakeLayerMover::apply(), protocols::cryst::MakeLatticeMover::apply(), core::io::mmcif::create_sfr_from_cif_file_op(), protocols::cryst::crystRMSfast(), protocols::cryst::DockLatticeMover::initialize(), core::io::operator<<(), and core::io::pdb::store_crystallographic_parameter_record_in_sfr().

void core::io::CrystInfo::spacegroup ( std::string  spacegroupin )

inline

References spacegroup_.

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  os, CrystInfo const &  ci  )

friend

Debug printing, serialazing to Tracer like object.

Member Data Documentation

Real core::io::CrystInfo::A_

private

For now, all member names have the same names as fields in PDB standard.

Referenced by A().

Real core::io::CrystInfo::alpha_

private

Referenced by alpha().

Real core::io::CrystInfo::B_

private

Referenced by B().

Real core::io::CrystInfo::beta_

private

Referenced by beta().

Real core::io::CrystInfo::C_

private

Referenced by C().

Real core::io::CrystInfo::gamma_

private

Referenced by gamma().

std::string core::io::CrystInfo::spacegroup_

private

Referenced by spacegroup().

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

• src/core/io/CrystInfo.hh