OEChem - C++ Theory Manual Version 1.3.1

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32. OpenEye Command Line Interface

This chapter describes how to the the OEInterface class, and associated free functions, found in the OESystem library. This class, and its free functions, provide a bridge between the users command line input and the C++ world.

Note to the timid

The OEInterface class and the OEParameter class it contains have a large number of member functions, described in the API documentation. While you can make use of all these member functions directly, there are a handful of free functions (described in the chapter) that eliminate the need to use any of the member functions, except the OEInterface Has and Get members, in any simple to moderately complex program.

Most new users will probably find the most difficult part of this chapter to understand is compiling text files into a C++ file, which is described in the first section of this chapter. While this may seem unnecessarily complex, the system is not terribly difficult to setup and once setup it becomes very easy to create, modify and maintain complex interfaces.

• 32.1 Compiling a text file into a C++ program
• 32.2 Configuring OEInterface
• 32.3 Parsing the Command Line
  • 32.3.1 OEParseCommandLine
  • 32.3.2 OEParseCommandLineLW
• 32.4 Command line help
• 32.5 Parameter Categories
• 32.6 Ordering parameters and Categories
• 32.7 Requiring Parameters
• 32.8 Accessing parameter values
• 32.9 Types of Parameters
  • 32.9.1 Parameters that are of type file
  • 32.9.2 Parameter files
  • 32.9.3 Molecule parameters
• 32.10 Parameter Ranges and Legal/Illegal Values
• 32.11 Parameter Aliases/Shortcuts

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				OEChem - C++ Theory Manual Version 1.3.1

Previous: 31.1 OEBinary Format Specification Up: OEChem - C++ Theory Next: 32.1 Compiling a text

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Documentation released on July 30, 2004.