Command Files

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An instance of class Script (or pscfpp.command.Script) can be used to parse and store the contents of a PSCF command script file. Each single-line command in such a file is stored as an instance of a class Command (or pscfpp.command.Command) that contains a list of the space separated strings that make up such a command. The first string in each command, which is the command name, is stored in the 'label' attribute of the resulting Command object.

To parse and store the contents of a command file named 'input', one could enter:

from pscfpp.command import *
s = Script('input')

Individual Command objects within a Script object can be accessed using the square bracket subscript operator using the either an integer index or the name of the command (a string) as a key:

• Access by command index: Command objects may be accessed using square bracket subscript notation with an integer index that is the position of the command within the script, numbered from 0. For example, if s is a command Script, then s[2] is an instance of class Command that represents the 3rd command in the script file.
• Access by command name: Commands may also be accessed using square bracket notation by using the command name (or label) string as a key. If a command name is unique within the script, the corresponding Command object is returned. If the script contains several commands with the specified name, the return value is a list of Command objects containing all commands with the specified name, indexed in the order in which they appear in the command file.

Values of arguments of individual Command objects be accessed or modified using the param and setParam methods of class Command. A Script may be converted to a multi-line string using the str() function.

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