5#ifndef BALL_STRUCTURE_RECONSTRUCFRAGMENTPROCESSOR_H
6#define BALL_STRUCTURE_RECONSTRUCFRAGMENTPROCESSOR_H
14#ifndef BALL_DATATYPE_TRIPLE_H
18#ifndef BALL_MATHS_MATRIX44_H
22#ifndef BALL_KERNEL_FRAGMENT_H
virtual ~ReconstructFragmentProcessor()
static Triple< bool, const Atom *, const Atom * > getTwoReferenceAtoms(const Atom &ref_center_atom, const HashSet< const Atom * > &allowed)
static list< Atom * > reconstructFragment(Fragment &frag, const Fragment &tplate)
ReconstructFragmentProcessor(const FragmentDB &db)
list< Atom * > & getInsertedAtoms()
static Matrix4x4 mapThreeVectors(const Vector3 &w1, const Vector3 &w2, const Vector3 &w3, const Vector3 &v1, const Vector3 &v2, const Vector3 &v3)
ReconstructFragmentProcessor(const ReconstructFragmentProcessor &db)
list< Atom * > inserted_atoms_
ReconstructFragmentProcessor()
void setFragmentDB(const FragmentDB &fragment_db)
Size getNumberOfInsertedAtoms() const
const FragmentDB * getFragmentDB() const
const FragmentDB * fragment_db_