1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
|
class AtomBijection
{
%TypeHeaderCode
#include <BALL/STRUCTURE/atomBijection.h>
%End
public:
typedef std::pair<Atom*, Atom*> AtomPair;
typedef std::vector<std::pair<Atom*, Atom*>> PairVector;
AtomBijection();
AtomBijection(AtomContainer& A, AtomContainer& B);
Size assignTrivial(AtomContainer& A, AtomContainer& B);
Size assignByName(AtomContainer& A, AtomContainer& B);
Size assignCAlphaAtoms(AtomContainer& A, AtomContainer& B);
Size assignBackboneAtoms(AtomContainer& A, AtomContainer& B);
};
|
