ccp4srs  Version 1.0.0
Public Member Functions | Static Public Member Functions | Protected Attributes | List of all members
ccp4srs::Torsion Class Reference

#include <ccp4srs_torsion.h>

Public Member Functions

 Torsion ()
 
virtual ~Torsion ()
 
mmdb::cpstr id ()
 
int atom1 ()
 
int atom2 ()
 
int atom3 ()
 
int atom4 ()
 
int period ()
 
mmdb::realtype value ()
 
mmdb::realtype esd ()
 
int readFromCIF (mmdb::mmcif::PLoop mmCIFLoop, int angleNo, Container< Atom > &atoms)
 
void writeToCIF (mmdb::mmcif::PLoop mmCIFLoop, mmdb::cpstr monID, Container< Atom > &atoms)
 
void write_mem (PMemIO memIO, int version)
 
bool read_mem (PMemIO memIO, int version, bool *Ok=NULL)
 
void copy (PTorsion trs, mmdb::ivector anmatch=NULL)
 

Static Public Member Functions

static void makeCIFTags (mmdb::mmcif::PLoop mmCIFLoop)
 

Protected Attributes

TorsionID torsion_id
 torsion angle id More...
 
int atom_1
 
int atom_2
 ordinal numbers of atoms More...
 
int atom_3
 
int atom_4
 
int torsion_period
 that form the angle [0,1,...] More...
 
mmdb::realtype torsion
 torsion angle in degrees More...
 
mmdb::realtype torsion_esd
 

Constructor & Destructor Documentation

ccp4srs::Torsion::Torsion ( )
ccp4srs::Torsion::~Torsion ( )
virtual

Member Function Documentation

int ccp4srs::Torsion::atom1 ( )
inline
int ccp4srs::Torsion::atom2 ( )
inline
int ccp4srs::Torsion::atom3 ( )
inline
int ccp4srs::Torsion::atom4 ( )
inline
void ccp4srs::Torsion::copy ( PTorsion  trs,
mmdb::ivector  anmatch = NULL 
)
mmdb::realtype ccp4srs::Torsion::esd ( )
inline
mmdb::cpstr ccp4srs::Torsion::id ( )
inline
void ccp4srs::Torsion::makeCIFTags ( mmdb::mmcif::PLoop  mmCIFLoop)
static
int ccp4srs::Torsion::period ( )
inline
bool ccp4srs::Torsion::read_mem ( PMemIO  memIO,
int  version,
bool *  Ok = NULL 
)
int ccp4srs::Torsion::readFromCIF ( mmdb::mmcif::PLoop  mmCIFLoop,
int  angleNo,
Container< Atom > &  atoms 
)
mmdb::realtype ccp4srs::Torsion::value ( )
inline
void ccp4srs::Torsion::write_mem ( PMemIO  memIO,
int  version 
)
void ccp4srs::Torsion::writeToCIF ( mmdb::mmcif::PLoop  mmCIFLoop,
mmdb::cpstr  monID,
Container< Atom > &  atoms 
)

Member Data Documentation

int ccp4srs::Torsion::atom_1
protected
int ccp4srs::Torsion::atom_2
protected

ordinal numbers of atoms

int ccp4srs::Torsion::atom_3
protected
int ccp4srs::Torsion::atom_4
protected
mmdb::realtype ccp4srs::Torsion::torsion
protected

torsion angle in degrees

mmdb::realtype ccp4srs::Torsion::torsion_esd
protected

torsion angle esd in degrees; set to 0.0 if not provided

TorsionID ccp4srs::Torsion::torsion_id
protected

torsion angle id

int ccp4srs::Torsion::torsion_period
protected

that form the angle [0,1,...]

torsion period


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