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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::chemical::sdf::ctabV2000Parser Class Reference

#include <ctab_parser.hh>

Collaboration diagram for core::chemical::sdf::ctabV2000Parser:
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Public Member Functions

 ctabV2000Parser (const utility::vector1< std::string > connection_table_lines, core::chemical::ResidueTypeOP molecule_container, MolData mol_data)
 
void ParseTable ()
 
core::chemical::ResidueTypeOP GetResidueType ()
 

Private Member Functions

void set_atom_type (core::Size atomno, std::string atomname)
 
void ParseAtom (const std::string atom_line, core::Size atom_number)
 
void ParseBond (const std::string bond_line)
 
std::map< core::Size, std::string > ParseAtomTypeData ()
 

Private Attributes

utility::vector1< std::string > connection_table_lines_
 
MolData mol_data_
 
std::map< core::Size, std::string > index_to_names_map_
 
core::chemical::ResidueTypeOP molecule_container_
 
utility::vector1< addedHadded_H_
 
core::Size current_atom_
 

Constructor & Destructor Documentation

core::chemical::sdf::ctabV2000Parser::ctabV2000Parser ( const utility::vector1< std::string >  connection_table_lines,
core::chemical::ResidueTypeOP  molecule_container,
MolData  mol_data 
)

Member Function Documentation

core::chemical::ResidueTypeOP core::chemical::sdf::ctabV2000Parser::GetResidueType ( )

References molecule_container_.

void core::chemical::sdf::ctabV2000Parser::ParseAtom ( const std::string  atom_line,
core::Size  atom_number 
)
private
std::map< core::Size, std::string > core::chemical::sdf::ctabV2000Parser::ParseAtomTypeData ( )
private
void core::chemical::sdf::ctabV2000Parser::ParseBond ( const std::string  bond_line)
private

References index_to_names_map_, and molecule_container_.

Referenced by ParseTable().

void core::chemical::sdf::ctabV2000Parser::ParseTable ( )
void core::chemical::sdf::ctabV2000Parser::set_atom_type ( core::Size  atomno,
std::string  atomname 
)
private

Member Data Documentation

utility::vector1<addedH> core::chemical::sdf::ctabV2000Parser::added_H_
private

Referenced by ParseTable(), and set_atom_type().

utility::vector1<std::string> core::chemical::sdf::ctabV2000Parser::connection_table_lines_
private

Referenced by ParseAtomTypeData(), and ParseTable().

core::Size core::chemical::sdf::ctabV2000Parser::current_atom_
private

Referenced by ParseAtom(), and set_atom_type().

std::map<core::Size, std::string> core::chemical::sdf::ctabV2000Parser::index_to_names_map_
private

Referenced by ParseAtom(), ParseBond(), and ParseTable().

MolData core::chemical::sdf::ctabV2000Parser::mol_data_
private
core::chemical::ResidueTypeOP core::chemical::sdf::ctabV2000Parser::molecule_container_
private

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