Simpatico  v1.10
Classes
Config File Writers

Detailed Description

Configuration file writers.

The choice of a configuration file format for writing can be set in the command file for the MdPp postprocessing tool by a SET_CONFIG_WRITER command, with the syntax

SET_CONFIG_WRITER className

where className represents the name of a subclass of the base class Tools::ConfigWriter, such as DdMdWriter or HoomdConfigWriter.

The WRITE_CONFIG command writes a configuration file using the current choice of file format. The syntax for most (but not all) configu file writers is

WRITE_CONFIG configFile

where configFile is the path to the output configuration file, defined relative to the directory from which mdPp is invoked.

Some configuration file writers, such as HoomdConfigWriter, may require an additional auxiliary data file. The syntax in this case is is

WRITE_CONFIG auxiliaryFile configFile

where auxiliaryFile is the path to the required auxiliary data file.

Classes

class  Tools::ConfigWriter
 Abstract reader/writer for configuration files. More...
 
class  Tools::ConfigWriterFactory
 Default Factory for subclasses of ConfigWriter. More...
 
class  Tools::DdMdConfigWriter
 Native / default DdMd format for configuration files. More...
 
class  Tools::HoomdConfigWriter
 Hoomd-blue XML format for configuration files. More...