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.