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core::io::pdb::ResidueInformation Class Reference

Intermediate format for easy construction of core::conformation::Residue objects. More...

#include <file_data.hh>

Collaboration diagram for core::io::pdb::ResidueInformation:
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Public Member Functions

 ResidueInformation ()
 default constructor to initialize all values More...
 
 ResidueInformation (AtomInformation const &ai)
 
bool operator== (ResidueInformation const &that) const
 
bool operator!= (ResidueInformation const &that) const
 

Public Attributes

String resid
 For now, all member names have the same names as fields in PDB standard. More...
 
String resName
 
char chainID
 
int resSeq
 
char iCode
 
int terCount
 
utility::vector1< AtomInformationatoms
 
std::map< std::string, Vectorxyz
 
std::map< std::string, double > temps
 

Detailed Description

Intermediate format for easy construction of core::conformation::Residue objects.

Subset of data from "ATOM" lines that is shared by all atoms in a residue.

Constructor & Destructor Documentation

core::io::pdb::ResidueInformation::ResidueInformation ( )

default constructor to initialize all values

core::io::pdb::ResidueInformation::ResidueInformation ( AtomInformation const &  ai)

Member Function Documentation

bool core::io::pdb::ResidueInformation::operator!= ( ResidueInformation const &  that) const
bool core::io::pdb::ResidueInformation::operator== ( ResidueInformation const &  that) const

References chainID, iCode, resName, resSeq, and terCount.

Member Data Documentation

utility::vector1< AtomInformation > core::io::pdb::ResidueInformation::atoms
char core::io::pdb::ResidueInformation::chainID
char core::io::pdb::ResidueInformation::iCode

Referenced by operator==().

String core::io::pdb::ResidueInformation::resid

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

Referenced by core::io::pdb::build_pose_as_is1(), and core::io::pdb::FileData::create_working_data().

String core::io::pdb::ResidueInformation::resName
int core::io::pdb::ResidueInformation::resSeq

Referenced by operator==().

std::map< std::string, double > core::io::pdb::ResidueInformation::temps
int core::io::pdb::ResidueInformation::terCount
std::map< std::string, Vector > core::io::pdb::ResidueInformation::xyz

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