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

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

Public Attributes
std::pair< Index, Index >	minmax
std::vector< Index >	mdatoms
std::vector< FragInfo >	fragments
bool	map2md
std::string	segname
std::vector< double >	weights
std::vector< atom_id >	mapatoms
std::map< std::string, std::string >	coordfiles

Detailed Description

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

Definition at line 63 of file segmentmapper.h.

Member Data Documentation

coordfiles

template<class AtomContainer >

std::map<std::string, std::string> votca::xtp::SegmentMapper< AtomContainer >::Seginfo::coordfiles

Definition at line 71 of file segmentmapper.h.

fragments

template<class AtomContainer >

std::vector<FragInfo> votca::xtp::SegmentMapper< AtomContainer >::Seginfo::fragments

Definition at line 66 of file segmentmapper.h.

map2md

template<class AtomContainer >

bool votca::xtp::SegmentMapper< AtomContainer >::Seginfo::map2md

Definition at line 67 of file segmentmapper.h.

mapatoms

template<class AtomContainer >

std::vector<atom_id> votca::xtp::SegmentMapper< AtomContainer >::Seginfo::mapatoms

Definition at line 70 of file segmentmapper.h.

mdatoms

template<class AtomContainer >

std::vector<Index> votca::xtp::SegmentMapper< AtomContainer >::Seginfo::mdatoms

Definition at line 65 of file segmentmapper.h.

minmax

template<class AtomContainer >

std::pair<Index, Index> votca::xtp::SegmentMapper< AtomContainer >::Seginfo::minmax

Definition at line 64 of file segmentmapper.h.

segname

template<class AtomContainer >

std::string votca::xtp::SegmentMapper< AtomContainer >::Seginfo::segname

Definition at line 68 of file segmentmapper.h.

weights

template<class AtomContainer >

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

Definition at line 69 of file segmentmapper.h.

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

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