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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::chemical::sdf::MolWriter Class Reference

#include <mol_writer.hh>

Collaboration diagram for core::chemical::sdf::MolWriter:
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Public Member Functions

 MolWriter ()
 
void output_residue (utility::io::ozstream &output_stream, core::conformation::ResidueCOP residue)
 
void output_residue (utility::io::ozstream &output_stream, core::chemical::ResidueTypeOP residue_type)
 
void output_residue (std::string const file_name, core::conformation::ResidueCOP residue)
 
void output_residue (std::string const file_name, core::chemical::ResidueTypeOP residue_type)
 

Private Member Functions

std::list< std::string > compose_metadata (core::conformation::ResidueCOP residue)
 
std::list< std::string > compose_ctab (core::conformation::ResidueCOP residue)
 
std::list< std::string > compose_atoms (core::conformation::ResidueCOP residue)
 
std::list< std::string > compose_bonds (core::conformation::ResidueCOP residue)
 
std::list< std::string > compose_typeinfo (core::conformation::ResidueCOP residue)
 
std::list< std::string > compose_nbr_atom (core::conformation::ResidueCOP residue)
 

Private Attributes

std::string const line_header_
 

Constructor & Destructor Documentation

core::chemical::sdf::MolWriter::MolWriter ( )

Member Function Documentation

std::list< std::string > core::chemical::sdf::MolWriter::compose_atoms ( core::conformation::ResidueCOP  residue)
private

References line_header_.

Referenced by compose_ctab().

std::list< std::string > core::chemical::sdf::MolWriter::compose_bonds ( core::conformation::ResidueCOP  residue)
private
std::list< std::string > core::chemical::sdf::MolWriter::compose_ctab ( core::conformation::ResidueCOP  residue)
private
std::list< std::string > core::chemical::sdf::MolWriter::compose_metadata ( core::conformation::ResidueCOP  residue)
private

Referenced by output_residue().

std::list< std::string > core::chemical::sdf::MolWriter::compose_nbr_atom ( core::conformation::ResidueCOP  residue)
private

Referenced by output_residue().

std::list< std::string > core::chemical::sdf::MolWriter::compose_typeinfo ( core::conformation::ResidueCOP  residue)
private

Referenced by output_residue().

void core::chemical::sdf::MolWriter::output_residue ( utility::io::ozstream &  output_stream,
core::conformation::ResidueCOP  residue 
)
void core::chemical::sdf::MolWriter::output_residue ( utility::io::ozstream &  output_stream,
core::chemical::ResidueTypeOP  residue_type 
)

References output_residue().

void core::chemical::sdf::MolWriter::output_residue ( std::string const  file_name,
core::conformation::ResidueCOP  residue 
)

References output_residue().

void core::chemical::sdf::MolWriter::output_residue ( std::string const  file_name,
core::chemical::ResidueTypeOP  residue_type 
)

References output_residue().

Member Data Documentation

std::string const core::chemical::sdf::MolWriter::line_header_
private

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