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core::io::pdb::AtomInformation Class Reference

A class that contains information for individual atoms. More...

#include <file_data.hh>

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Public Member Functions

 AtomInformation ()
 default constructor to initialize all values More...
 

Public Attributes

bool isHet
 For now, all member names have the same names as fields in PDB standard. More...
 
int serial
 
String name
 
char altLoc
 
String resName
 
char chainID
 
int resSeq
 
char iCode
 
double x
 
double y
 
double z
 
double occupancy
 
double temperature
 
String element
 
int terCount
 

Friends

std::ostream & operator<< (std::ostream &os, AtomInformation const &ai)
 Debug printing, serializing to Tracer like object. More...
 

Detailed Description

A class that contains information for individual atoms.

Only fields that are present in the PDB file will be initialized; others will have the default value. This class basically reflects the structure of 'ATOM' lines in PDB file format.

Constructor & Destructor Documentation

core::io::pdb::AtomInformation::AtomInformation ( )
inline

default constructor to initialize all values

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  os,
AtomInformation const &  ai 
)
friend

Debug printing, serializing to Tracer like object.

Member Data Documentation

char core::io::pdb::AtomInformation::altLoc
char core::io::pdb::AtomInformation::chainID
String core::io::pdb::AtomInformation::element
char core::io::pdb::AtomInformation::iCode
bool core::io::pdb::AtomInformation::isHet

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

Referenced by core::io::pdb::FileData::append_residue(), core::io::pdb::PDB_DReader::createFileData(), and core::io::pdb::PDB_DReader::createRecords().

String core::io::pdb::AtomInformation::name
double core::io::pdb::AtomInformation::occupancy
String core::io::pdb::AtomInformation::resName
int core::io::pdb::AtomInformation::resSeq
int core::io::pdb::AtomInformation::serial
double core::io::pdb::AtomInformation::temperature
int core::io::pdb::AtomInformation::terCount
double core::io::pdb::AtomInformation::x
double core::io::pdb::AtomInformation::y
double core::io::pdb::AtomInformation::z

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