votca::xtp::SegmentMapper< AtomContainer >::FragInfo Struct Reference

Collaboration diagram for votca::xtp::SegmentMapper< AtomContainer >::FragInfo:

Public Attributes
std::vector< double >	weights
std::vector< atom_id >	mapatom_ids
std::vector< atom_id >	mdatom_ids
std::vector< Index >	map_local_frame

Detailed Description

template<class AtomContainer>
struct votca::xtp::SegmentMapper< AtomContainer >::FragInfo

Definition at line 56 of file segmentmapper.h.

Member Data Documentation

map_local_frame

template<class AtomContainer >

std::vector<Index> votca::xtp::SegmentMapper< AtomContainer >::FragInfo::map_local_frame

Definition at line 60 of file segmentmapper.h.

mapatom_ids

template<class AtomContainer >

std::vector<atom_id> votca::xtp::SegmentMapper< AtomContainer >::FragInfo::mapatom_ids

Definition at line 58 of file segmentmapper.h.

mdatom_ids

template<class AtomContainer >

std::vector<atom_id> votca::xtp::SegmentMapper< AtomContainer >::FragInfo::mdatom_ids

Definition at line 59 of file segmentmapper.h.

weights

template<class AtomContainer >

std::vector<double> votca::xtp::SegmentMapper< AtomContainer >::FragInfo::weights

Definition at line 57 of file segmentmapper.h.

---

The documentation for this struct was generated from the following file:

• xtp/include/votca/xtp/segmentmapper.h