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Public Member Functions | Private Member Functions | List of all members
core::chemical::sdf::V3Parser Class Reference

#include <v3_parser.hh>

Inheritance diagram for core::chemical::sdf::V3Parser:
Inheritance graph
Collaboration diagram for core::chemical::sdf::V3Parser:
Collaboration graph

Public Member Functions

 V3Parser (utility::vector1< std::string > const &connection_table_lines, core::chemical::ResidueTypeOP molecule_container, MolData const &mol_data)
virtual void ParseTable ()
- Public Member Functions inherited from core::chemical::sdf::CtabBase
 CtabBase (utility::vector1< std::string > const &connection_table_lines, core::chemical::ResidueTypeOP molecule_container, MolData const &mol_data)
virtual ~CtabBase ()
core::chemical::ResidueTypeOP GetResidueType ()
core::Size connection_table_length () const
std::string connection_table_line (core::Size const line_number) const
void add_index_name_pair (core::Size const index, std::string const atomname)
std::string atom_name_from_index (core::Size const index) const
bool check_for_aromatic (core::Size lower, core::Size upper)
void set_atom_type (core::Size const atomno, std::string const atomname)
void fix_atom_types ()

Private Member Functions

virtual void ParseAtom (std::string const atom_line, core::Size const )
virtual void ParseBond (std::string const bond_line)
core::Real FindExtraParameter (utility::vector1< std::string > const extra_parameters, std::string const query)

Constructor & Destructor Documentation

core::chemical::sdf::V3Parser::V3Parser ( utility::vector1< std::string > const &  connection_table_lines,
core::chemical::ResidueTypeOP  molecule_container,
MolData const &  mol_data 

Member Function Documentation

core::Real core::chemical::sdf::V3Parser::FindExtraParameter ( utility::vector1< std::string > const  extra_parameters,
std::string const  query 

Referenced by ParseAtom().

void core::chemical::sdf::V3Parser::ParseAtom ( std::string const  atom_line,
core::Size const   
void core::chemical::sdf::V3Parser::ParseBond ( std::string const  bond_line)
void core::chemical::sdf::V3Parser::ParseTable ( )

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