xyz2rst

Command Line Tool for Converting XYZ Files to Restart Files

This command line tool can be used to convert xyz files to restart files.

Summary

Classes:

XYZ2RstCLI

Command Line Tool for Converting XYZ Files to Restart Files

Functions:

main

Main function of the xyz2rst command line tool, which is basically just a wrapper for the xyz2rst function.

Reference

class XYZ2RstCLI[source]

Bases: CLIBase

Command Line Tool for Converting XYZ Files to Restart Files

classmethod add_arguments(
parser: _ArgumentParser,
) → None[source]

Adds the arguments to the parser.

Parameters:

parser (_ArgumentParser) – The parser to which the arguments should be added.

classmethod program_name() → str[source]

Returns the name of the program.

Returns:

The name of the program.

Return type:

str

classmethod run(args)[source]

Runs the command line tool.

Parameters:

args (argparse.Namespace) – The arguments parsed by the parser.

main()[source]

Main function of the xyz2rst command line tool, which is basically just a wrapper for the xyz2rst function. For more information on the xyz2rst function please visit PQAnalysis.io.api.xyz2rst().