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

#include <sdf_parser.hh>

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Public Member Functions

 SDFParser (utility::vector1< std::string > file_vector)
 
void SplitSDF ()
 
core::Size GetNumberOfResidues ()
 
void GenerateResidues ()
 
core::chemical::ResidueTypeOP GetResidueByName (std::string name)
 
utility::vector1< std::string > GetResidueNameVector ()
 

Private Attributes

std::map< std::string,
utility::vector1< std::string > > 
extended_data_map_
 
std::map< std::string,
utility::vector1< std::string > > 
mol_file_map_
 
utility::vector1< std::string > file_vector_
 
std::map< std::string,
core::chemical::ResidueTypeOP
molecule_map_
 
utility::vector1< std::string > molecule_name_vector_
 

Constructor & Destructor Documentation

core::chemical::sdf::SDFParser::SDFParser ( utility::vector1< std::string >  file_vector)

Member Function Documentation

void core::chemical::sdf::SDFParser::GenerateResidues ( )
core::Size core::chemical::sdf::SDFParser::GetNumberOfResidues ( )

References mol_file_map_.

core::chemical::ResidueTypeOP core::chemical::sdf::SDFParser::GetResidueByName ( std::string  name)

References molecule_map_.

utility::vector1< std::string > core::chemical::sdf::SDFParser::GetResidueNameVector ( )

References molecule_name_vector_.

void core::chemical::sdf::SDFParser::SplitSDF ( )

Member Data Documentation

std::map<std::string,utility::vector1<std::string> > core::chemical::sdf::SDFParser::extended_data_map_
private

Referenced by SplitSDF().

utility::vector1<std::string> core::chemical::sdf::SDFParser::file_vector_
private

Referenced by SplitSDF().

std::map<std::string,utility::vector1<std::string> > core::chemical::sdf::SDFParser::mol_file_map_
private
std::map<std::string,core::chemical::ResidueTypeOP> core::chemical::sdf::SDFParser::molecule_map_
private
utility::vector1<std::string> core::chemical::sdf::SDFParser::molecule_name_vector_
private

Referenced by GetResidueNameVector(), and SplitSDF().


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