Architecture

Molstruct consists of CLI controller, column name replacer, input file reader, CSV reader and output generators with output limiters. The first module, the CLI controller, is responsible for the console user interface. It displays possible parameters and also reacts to the user's command by running the relevant parts of the program. The optional column name replacer is responsible for replacing the default column names with those provided by the user. The next two modules are responsible for handling the file given from the command line. The file is read and the appropriate values are selected from it. The last module generates the output in a user-selected format. The user can limit the output data to, for example, five molecules. The output limiter is responsible for limiting the printing of data.