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The Configuration class

One thing that we want to do in our program is to be able to apply a particular function on to our structure of atoms, and then apply a completely different function on the resulting structure. An example is to minimise some atoms, and then fire an atom at them, such that the minimised atoms simulate a surface that the firing atom is going to hit. To transfer all the data manually from one class to another would require a lot of code and could end up being very messy. This is why we have a configuration class. The configuration class simply stores all the information we need to know about a structure of atoms. It is created initially by MDUtils, and then imported into a subject. Once the subject has finished, it is exported, and can be loaded into the next subject.



James Roper 2004-02-12