| atom_id typedef | votca::xtp::SegmentMapper< AtomContainer > | private |
| CalcAtomIdRange(const Segment &seg) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| CalcAtomIdRange(const std::vector< Index > &seg) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| CalcWeightedPos(const std::vector< double > &weights, const T &atoms) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| FillMap() | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| FillMap() | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| FindVectorIndexFromAtomId(Index atomid, const std::vector< mapAtom * > &fragment_mapatoms) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| getFrame(const tools::Property &frag) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| getRank(const mapAtom &atom) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| getRank(const QMAtom &) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| getWeights(const tools::Property &frag) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| LoadMappingFile(const std::string &mapfile) | votca::xtp::SegmentMapper< AtomContainer > | |
| log_ | votca::xtp::SegmentMapper< AtomContainer > | private |
| map(const Segment &seg, const SegId &segid) const | votca::xtp::SegmentMapper< AtomContainer > | |
| map(const Segment &seg, QMState state) const | votca::xtp::SegmentMapper< AtomContainer > | |
| map(const Segment &seg, const std::string &coordfilename) const | votca::xtp::SegmentMapper< AtomContainer > | |
| mapAtom typedef | votca::xtp::SegmentMapper< AtomContainer > | private |
| mapatom_xml_ | votca::xtp::SegmentMapper< AtomContainer > | private |
| MapMapAtomonMD(const FragInfo &frag, const std::vector< mapAtom * > &fragment_mapatoms, const std::vector< const Atom * > &fragment_mdatoms) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| ParseFragment(Seginfo &seginfo, const tools::Property &frag) | votca::xtp::SegmentMapper< AtomContainer > | private |
| PlaceMapAtomonMD(const std::vector< mapAtom * > &fragment_mapatoms, const std::vector< const Atom * > &fragment_mdatoms) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| segment_info_ | votca::xtp::SegmentMapper< AtomContainer > | private |
| SegmentMapper(Logger &log) | votca::xtp::SegmentMapper< AtomContainer > | |
| StringToMapIndex(const std::string &map_string) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| StringToMDIndex(const std::string &md_string) const | votca::xtp::SegmentMapper< AtomContainer > | private |
| TransferBondedPartners(mapAtom *, const Atom *, const std::map< Index, mapAtom * > &) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| TransferBondedPartners(QMAtom *map_atom, const Atom *md_atom, const std::map< Index, QMAtom * > &md_id_to_map_atom) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| TransferExternalBondDirection(mapAtom *, const Atom *, const Eigen::Matrix3d &) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |
| TransferExternalBondDirection(QMAtom *map_atom, const Atom *md_atom, const Eigen::Matrix3d &rot) const | votca::xtp::SegmentMapper< AtomContainer > | inlineprivate |