/******************* NanorexUtility ******************* ******************************************************/ /** @defgroup NanorexUtility Nanorex Utility General-use classes. */ /******************* Logging *******************/ /** @defgroup Logging Logging Simple logging mechanism. @ingroup NanorexUtility */ /******************* NanorexInterface ********************* **********************************************************/ /** @defgroup NanorexInterface Nanorex Interface Interface to Nanorex application cores. */ /******************* PluginArchitecture ********************/ /** @defgroup PluginArchitecture Plugin Architecture Plugin architecture for extending the functionality of Nanorex applications. @ingroup NanorexInterface The following figure shows the relations between the main components of the simulator and highlights the plugin components. @image html soft-arch-overview.png - The NanoHive-1 Core and Physical Interaction Manager coordinate all components of the simulator - The Simulation Control plugins are used to configure, control, and monitor the simulation - The Entity Management plugin stores each molecule in the nano system being simulated and makes them available for calculation - The Data Import/Export plugins are used to import and export nano systems and nano devices - The Physical Interaction Calculators are the distributable layer of the simulator and perform the actual simulation calculations depending on which Physical Interaction plugins they have loaded - The Entity Traversal plugins provide ways for the Physical Interaction Manager to traverse through the simulation space and distribute the simulation across the Physical Interaction plugins - The Simulation Results plugins are invoked to provide the interim and final results of the simulation */ /******************* ChemistryDataModel ******************* **********************************************************/ /** @defgroup ChemistryDataModel Chemistry Data Model Data model for the storage of chemical structure data. @ingroup NanorexInterface The following figure shows the data model for cells in the simulation space. Internally, NanoHive-1 recursively divides the simulation space into cells, so at the top level, the simulation space is itself a cell. Physical Interaction plugins are passed cells (NH_Cell objects) for calculation. @image html cell-data-model.png - Each NH_Cell has a MeasurementSet. - All NH_Cell entities are accessed directly via unique integer identifier. - Each entity knows its child identifiers. */