SimSoup enables a Chemistry to be defined in terms of Molecule Types and the possible Interactions between them. A simulation run involves introducing Molecules of various types into a Reactor and allowing Interactions to take place between them. The progress of the simulation can be viewed on various graphical displays.

SimSoup version 0.4 includes the features listed below. Items that are new in this release are highlighted in italic.

• A Chemistry: Including Molecule Types and Interaction Types
• A Reactor: In which interactions take place between Molecules of the various types
• Graphical Views of the Chemistry and Reactor: This includes real time display of the current state of the Reactor and the Chemistry. In each case a network is displayed, along with detailed information in list format
• Graphical Display of Simulation Statistics: Statistics showing the behaviour of the simulation over time can be displayed in two formats:-
• Data Series Plots: These show the real-time behaviour of a range of variables that are monitored as the simulation runs. The Data Series to be displayed are selectable from various lists
• Manhattan Plot: This shows the variability in the composition of the material in the Reactor over time
• Trackers and Cycle Detection: A Tracker is an object that can be attached to a Molecule. As Molecules take part in Interactions, the Trackers are passed from Reactant Molecule to Product Molecule. This enables cycles to be detected and monitored
• Mass Conservation: Each Molecule Type has a mass, and only Interactions that conserve mass are allowed
• Heat and Thermodynamics: Reaction rates are based on considerations of energy and thermodynamics. The rate at which the Reactor releases heat can be displayed as a data series plot
• Scenario Display: A display of the current scenario and status information on its progress
• Action Requests: These are requests for events to take place at particular times. For example, an Action Request can be setup to cause a Molecule of a particular type to be added to the Reactor
• Input Processor: This enables a simulation scenario to be defined in a file and loaded to SimSoup. Any errors in the file are detected and reported to the user
• System Monitor: A (partly hidden) screen - mainly for diagnostic purposes
• GTK User Interface: SimSoup now has an improved graphical user interface, fully integrated with GTK.