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

#include <ccp4srs_chicenter.h>

Public Member Functions

 ChiCenter ()
 
virtual ~ChiCenter ()
 
mmdb::cpstr id ()
 
int center ()
 
int atom1 ()
 
int atom2 ()
 
int atom3 ()
 
int sign ()
 
char get_chirality ()
 
int readFromCIF (mmdb::mmcif::PLoop mmCIFLoop, int chiNo, 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 (PChiCenter chicenter, mmdb::ivector anmatch=NULL)
 

Static Public Member Functions

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

Protected Attributes

ChiCenterID chicenter_id
 chiral center id More...
 
int atom_center
 chiral center atom [0,1,...] More...
 
int atom_1
 
int atom_2
 ordinal numbers of atoms that More...
 
int atom_3
 form the center [0,1,...] More...
 
int volume_sign
 chirality More...
 

Constructor & Destructor Documentation

ccp4srs::ChiCenter::ChiCenter ( )
ccp4srs::ChiCenter::~ChiCenter ( )
virtual

Member Function Documentation

int ccp4srs::ChiCenter::atom1 ( )
inline
int ccp4srs::ChiCenter::atom2 ( )
inline
int ccp4srs::ChiCenter::atom3 ( )
inline
int ccp4srs::ChiCenter::center ( )
inline
void ccp4srs::ChiCenter::copy ( PChiCenter  chicenter,
mmdb::ivector  anmatch = NULL 
)
char ccp4srs::ChiCenter::get_chirality ( )
mmdb::cpstr ccp4srs::ChiCenter::id ( )
inline
void ccp4srs::ChiCenter::makeCIFTags ( mmdb::mmcif::PLoop  mmCIFLoop)
static
bool ccp4srs::ChiCenter::read_mem ( PMemIO  memIO,
int  version,
bool *  Ok = NULL 
)
int ccp4srs::ChiCenter::readFromCIF ( mmdb::mmcif::PLoop  mmCIFLoop,
int  chiNo,
Container< Atom > &  atoms 
)
int ccp4srs::ChiCenter::sign ( )
inline
void ccp4srs::ChiCenter::write_mem ( PMemIO  memIO,
int  version 
)
void ccp4srs::ChiCenter::writeToCIF ( mmdb::mmcif::PLoop  mmCIFLoop,
mmdb::cpstr  monID,
Container< Atom > &  atoms 
)

Member Data Documentation

int ccp4srs::ChiCenter::atom_1
protected
int ccp4srs::ChiCenter::atom_2
protected

ordinal numbers of atoms that

int ccp4srs::ChiCenter::atom_3
protected

form the center [0,1,...]

int ccp4srs::ChiCenter::atom_center
protected

chiral center atom [0,1,...]

ChiCenterID ccp4srs::ChiCenter::chicenter_id
protected

chiral center id

int ccp4srs::ChiCenter::volume_sign
protected

chirality


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