core::chemical::carbohydrates Namespace Reference

Classes
class	CarbohydrateInfo

Typedefs
typedef utility::pointer::owning_ptr < CarbohydrateInfo >	CarbohydrateInfoOP
typedef utility::pointer::owning_ptr < CarbohydrateInfo const >	CarbohydrateInfoCOP

Functions
std::ostream &	operator<< (std::ostream &output, CarbohydrateInfo const &object_to_output)
utility::vector1< std::string >	get_lines_from_file_data (std::string const &filename)
	Local method that opens a file and returns its data as a list of lines after checking for errors. More...
utility::vector1< std::string >	read_properties_from_database_file (std::string const &filename)
	Return a list of strings, which are saccharide-specific properties and modifications, read from a database file. More...
std::map< std::string, std::string >	read_codes_and_roots_from_database_file (std::string const &filename)
	Return a map of strings to strings, which are saccharide-specific 3-letter codes mapped to IUPAC roots, read from a database file. More...

Typedef Documentation

typedef utility::pointer::owning_ptr<CarbohydrateInfo const> core::chemical::carbohydrates::CarbohydrateInfoCOP

typedef utility::pointer::owning_ptr<CarbohydrateInfo> core::chemical::carbohydrates::CarbohydrateInfoOP

Function Documentation

utility::vector1< std::string > core::chemical::carbohydrates::get_lines_from_file_data

(

std::string const &

filename

)

Local method that opens a file and returns its data as a list of lines after checking for errors.

Blank and commented lines are not returned and the file is closed before returning the lines.

References utility::io::izstream::close(), file_exists(), getline(), utility::io::izstream::good(), trim(), and utility_exit_with_message.

Referenced by read_codes_and_roots_from_database_file(), and read_properties_from_database_file().

std::ostream & core::chemical::carbohydrates::operator<<	(	std::ostream &	output,
		CarbohydrateInfo const &	object_to_output
	)

References core::chemical::carbohydrates::CarbohydrateInfo::show().

std::map< std::string, std::string > core::chemical::carbohydrates::read_codes_and_roots_from_database_file

(

std::string const &

filename

)

Return a map of strings to strings, which are saccharide-specific 3-letter codes mapped to IUPAC roots, read from a database file.

References get_lines_from_file_data(), key, and core::chemical::TR.

Referenced by core::chemical::carbohydrates::CarbohydrateInfo::code_to_root_map().

utility::vector1< std::string > core::chemical::carbohydrates::read_properties_from_database_file

(

std::string const &

filename

)

Return a list of strings, which are saccharide-specific properties and modifications, read from a database file.

References get_lines_from_file_data(), and core::chemical::TR.

Referenced by core::chemical::carbohydrates::CarbohydrateInfo::sugar_properties().