OpenBabel::OBGlobalDataBase

OBGlobalDataBase Class Reference

Base data table class, handles reading data files. More...

#include <openbabel/data.h>

Inheritance diagram for OBGlobalDataBase:

Inheritance graph
[legend]
List of all members.

Public Member Functions

 OBGlobalDataBase ()
virtual ~OBGlobalDataBase ()
void Init ()
virtual unsigned int GetSize ()
void SetReadDirectory (char *dir)
void SetEnvironmentVariable (char *var)
virtual void ParseLine (const char *)

Protected Attributes

bool _init
const char * _dataptr
std::string _filename
std::string _dir
std::string _subdir
std::string _envvar

Detailed Description

Base data table class, handles reading data files.

Base data table class--reads ASCII data files in various formats

  1. Checks for the environment variable _envvar (defaults to "BABEL_DATADIR")
  1. Checks for the directory _dir (def. determined by the build environment)
  1. Reverts to the compiled-in default data

Constructor & Destructor Documentation

OBGlobalDataBase (  )  [inline]

Constructor.

virtual ~OBGlobalDataBase (  )  [inline, virtual]

Destructor.

Member Function Documentation

void Init (  ) 

Read in the data file, falling back as needed.

virtual unsigned int GetSize (  )  [inline, virtual]

Returns:
the size of the database (for error checking)

Reimplemented in OBBondTyper, OBElementTable, OBIsotopeTable, OBTypeTable, OBResidueData, OBPhModel, OBRotorRules, OBAtomTyper, and OBAromaticTyper.

void SetReadDirectory ( char *  dir  )  [inline]

Set the directory before calling Init().

void SetEnvironmentVariable ( char *  var  )  [inline]

Set the environment variable to use before calling Init().

virtual void ParseLine ( const char *   )  [inline, virtual]

Specified by particular table classes (parses an individual data line).

Reimplemented in OBBondTyper, OBElementTable, OBIsotopeTable, OBTypeTable, OBResidueData, OBPhModel, OBRotorRules, OBAtomTyper, and OBAromaticTyper.

Member Data Documentation

bool _init [protected]

Whether the data been read already.

const char* _dataptr [protected]

Default data table if file is unreadable.

std::string _filename [protected]

File to search for.

std::string _dir [protected]

Data directory for file if _envvar fails.

std::string _subdir [protected]

Subdirectory (if using environment variable).

std::string _envvar [protected]

Environment variable to check first.

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