votca 2024.2-dev
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votca::xtp::SegmentMapper< AtomContainer > Member List

This is the complete list of members for votca::xtp::SegmentMapper< AtomContainer >, including all inherited members.

atom_id typedefvotca::xtp::SegmentMapper< AtomContainer >private
CalcAtomIdRange(const Segment &seg) constvotca::xtp::SegmentMapper< AtomContainer >private
CalcAtomIdRange(const std::vector< Index > &seg) constvotca::xtp::SegmentMapper< AtomContainer >private
CalcWeightedPos(const std::vector< double > &weights, const T &atoms) constvotca::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) constvotca::xtp::SegmentMapper< AtomContainer >private
getFrame(const tools::Property &frag) constvotca::xtp::SegmentMapper< AtomContainer >inlineprivate
getRank(const mapAtom &atom) constvotca::xtp::SegmentMapper< AtomContainer >inlineprivate
getRank(const QMAtom &) constvotca::xtp::SegmentMapper< AtomContainer >inlineprivate
getWeights(const tools::Property &frag) constvotca::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) constvotca::xtp::SegmentMapper< AtomContainer >
map(const Segment &seg, QMState state) constvotca::xtp::SegmentMapper< AtomContainer >
map(const Segment &seg, const std::string &coordfilename) constvotca::xtp::SegmentMapper< AtomContainer >
mapAtom typedefvotca::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) constvotca::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) constvotca::xtp::SegmentMapper< AtomContainer >private
segment_info_votca::xtp::SegmentMapper< AtomContainer >private
SegmentMapper(Logger &log)votca::xtp::SegmentMapper< AtomContainer >
StringToMapIndex(const std::string &map_string) constvotca::xtp::SegmentMapper< AtomContainer >private
StringToMDIndex(const std::string &md_string) constvotca::xtp::SegmentMapper< AtomContainer >private