core::chemical::RerootEdgeSorter Class Reference

Edge sorting: Return true if we should prefer edge1 over edge2. More...

Public Member Functions
	RerootEdgeSorter (core::chemical::ResidueGraph const &graph, core::chemical::MutableResidueType const &)
bool	operator() (core::chemical::ED edge1, core::chemical::ED edge2)
	Return true if the first argument goes before the second argument. More...

Private Attributes
core::chemical::ResidueGraph const &	graph_

Detailed Description

Edge sorting: Return true if we should prefer edge1 over edge2.

• Non-cut bonds before cut bonds
• Actual bonds before pseudobonds
• Bonds to Heavy atoms before light atoms
• Bonds to Concrete atoms before virtual atoms

This doesn't (need to?) quite match the logic in core/conformation/util.cc:setup_atom_links()

Constructor & Destructor Documentation

core::chemical::RerootEdgeSorter::RerootEdgeSorter ( core::chemical::ResidueGraph const &  graph, core::chemical::MutableResidueType const &    )

inline

Member Function Documentation

bool core::chemical::RerootEdgeSorter::operator() ( core::chemical::ED  edge1, core::chemical::ED  edge2  )

inline

Return true if the first argument goes before the second argument.

References core::chemical::Bond::cut_bond(), graph_, core::chemical::Bond::is_fake(), core::chemical::Atom::is_hydrogen(), core::chemical::Atom::is_virtual(), and core::chemical::Atom::name().

Member Data Documentation

core::chemical::ResidueGraph const& core::chemical::RerootEdgeSorter::graph_

private

Referenced by operator()().

---

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

• src/core/chemical/icoor_support.cc