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5 #ifndef BALL_STRUCTURE_ATOMBIJECTION_H
6 #define BALL_STRUCTURE_ATOMBIJECTION_H
12 #ifndef BALL_KERNEL_ATOMCONTAINER_H
46 :
public std::vector<std::pair<Atom*, Atom*> >
55 typedef std::vector<std::pair<Atom*, Atom*> >
PairVector;
179 double calculateRMSD()
const;
185 using PairVector::size;
188 using PairVector::push_back;
190 using PairVector::begin;
192 using PairVector::end;
194 using PairVector::rbegin;
196 using PairVector::rend;
203 #endif // BALL_STRUCTURE_ATOMBIJECTION_H
AtomBijection(AtomContainer &A, AtomContainer &B, bool limit_to_selection=false)
Size assignCAlphaAtoms(AtomContainer &A, AtomContainer &B, bool limit_to_selection=false)
Size assignBackboneAtoms(AtomContainer &A, AtomContainer &B, bool limit_to_selection=false)
Size assignAtomsByProperty(AtomContainer &A, AtomContainer &B)
Size assignByName(AtomContainer &A, AtomContainer &B, bool limit_to_selection=false)
std::pair< Atom *, Atom * > AtomPair
virtual ~AtomBijection()
Destructor.
std::vector< std::pair< Atom *, Atom * > > PairVector
Size assignTrivial(AtomContainer &A, AtomContainer &B, bool limit_to_selection=false)