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 |