Q:

Data structure for handling a list of 3 integers

I'm currently coding a physical simulation on a lattice, I'm interested in describing loops in this lattice, they are closed curved composed by the edges of the lattice cells. I'm storing the information on this lattice cells (by information I mean a Boolean variable saying if the edge is valuable or no for composing a loop) in a 3 dimensional Boolean array.
I'm now thinking about a good structure to handle this loops. they are basically a list of edges, so I would need something like an array of 3d integer vectors, each edge being defined by 3 coordinates in my current parameterization. I'm already thinking about building a class around this "list" object as I'll need methods computing the loop diameter and probably more in the future.
But, I'm definitely not so aware of the choice of structure I have to do that, my physics background hasn't taught me enough in C++. And for so, I'd like to hear your suggestion for shaping this piece of code. I would really enjoy discovering some new ways of coding this kid of things.

A:

You want two separate things. One is keeping track of all edges and allowing fast lookup of edge objects by an (int,int,int) index (you probably don't want int there but something like size_t or so). This is entirely independent from your second goal crating ordered subsets of these.
General Collection (1)
Since your edge database is going to be sparse (i.e. only a few of the possible indices will actually identify as a particular edge), my prior suggestion of using a 3d matrix is unsuitable. Instead, you probably want to lookup edges with a hash map.
How easy this is, depends on the expected size of the individual integers. That is, can you manage to have no more than 21 bit per integer (for instance if your integers are short int values, which have only 16 bit), then you can concatenate them to one 64 bit value, which already has an std::hash implementation. Otherwise, you will have to implement your own hash specialisation for, e.g., std::hash<std::array<uint32_t,3>> (which is also quite easy, and highly stackable).
Once you can hash your key, you can throw it into an std::unordered_map and be done with it. That thing is fast.
Loop detection (2)
Then you want to have short-lived data structures for identifying loops, so you want a data structure that extends on one end but never on the other. That means you're probably fine with an std::vector or possibly with an std::deque if you have very large instances (but try the vector first!).
I'd suggest simply keeping the index to an edge in the local vector. You can always lookup the edge object in your unordered_map. Then the question is how to represent the index. If Int represents your integer type (e.g. int, size_t, short, ...) it's probably the most consistent to use an std::array<Int,3> --- if the types of the integers differ, you'll want an std::tuple<...>.

