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:

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< AtomInformation >	atoms
std::map< std::string, Vector >	xyz
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.

Definition at line 116 of file file_data.hh.

Constructor & Destructor Documentation

core::io::pdb::ResidueInformation::ResidueInformation

(

)

default constructor to initialize all values

Definition at line 118 of file file_data.cc.

core::io::pdb::ResidueInformation::ResidueInformation

(

AtomInformation const &

ai)

Definition at line 130 of file file_data.cc.

Member Function Documentation

bool core::io::pdb::ResidueInformation::operator!=

(

ResidueInformation const &

that)

const

Definition at line 155 of file file_data.cc.

bool core::io::pdb::ResidueInformation::operator==

(

ResidueInformation const &

that)

const

Definition at line 144 of file file_data.cc.

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

Member Data Documentation

utility::vector1< AtomInformation > core::io::pdb::ResidueInformation::atoms

Definition at line 134 of file file_data.hh.

Referenced by core::io::pdb::FileData::create_working_data().

char core::io::pdb::ResidueInformation::chainID

Definition at line 130 of file file_data.hh.

Referenced by core::io::pdb::build_pose_as_is1(), and operator==().

char core::io::pdb::ResidueInformation::iCode

Definition at line 132 of file file_data.hh.

Referenced by operator==().

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

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

Definition at line 128 of file file_data.hh.

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

String core::io::pdb::ResidueInformation::resName

Definition at line 129 of file file_data.hh.

Referenced by core::io::pdb::build_pose_as_is1(), and operator==().

int core::io::pdb::ResidueInformation::resSeq

Definition at line 131 of file file_data.hh.

Referenced by operator==().

std::map< std::string, double > core::io::pdb::ResidueInformation::temps

Definition at line 136 of file file_data.hh.

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

int core::io::pdb::ResidueInformation::terCount

Definition at line 133 of file file_data.hh.

Referenced by core::io::pdb::build_pose_as_is1(), and operator==().

std::map< std::string, Vector > core::io::pdb::ResidueInformation::xyz

Definition at line 135 of file file_data.hh.

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

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

• src/core/io/pdb/file_data.hh
• src/core/io/pdb/file_data.cc