MoleculeSelection class
#include <xmol/proxy/selections.h>
Contents
@breif Ordered set of MoleculeRef from single Frame
Mixing references from different frames within single MoleculeSelection is prohibited
Base classes
-
template<typename T>class Selection<MoleculeRef>
Constructors, destructors, conversion operators
- MoleculeSelection(Selection&& rhs)
- MoleculeSelection(MoleculeSpan rhs)
- Selection() defaulted
-
template<typename Iterator>Selection(Iterator first, Iterator last, bool sorted_and_unique = false)
-
template<typename Container>Selection(Container&& c, bool sorted_and_unique = false) explicit
- Selection(std::vector<T>&& data, bool sorted_and_unique = false) explicit
Public functions
- auto coords() -> CoordSelection
- Coordinates.
- auto atoms() -> AtomSelection
- Children atoms of the molecules.
- auto residues() -> ResidueSelection
- Children residues of the molecules.
- auto operator|=(const MoleculeSelection& rhs) -> MoleculeSelection
- Inplace union.
- auto operator-=(const MoleculeSelection& rhs) -> MoleculeSelection
- Inplace difference.
- auto operator&=(const MoleculeSelection& rhs) -> MoleculeSelection
- Inplace intersection.
-
template<typename Predicate>auto filter(Predicate&& p) -> MoleculeSelection
- Returns selection with molecules that match predicate.
- auto index() const -> std::vector<MoleculeIndex>
- auto slice(std::optional<size_t> start, std::optional<size_t> stop = {}, std::optional<size_t> step = {}) -> MoleculeSelection
-
auto smart() -> smart::
MoleculeSmartSelection - Create smart selection from this.