sc::ParsedOrbitalSpaceKey Class Reference

Parses keys of OrbitalSpace. More...

#include <chemistry/qc/wfn/orbitalspace.h>

Classes
struct	exception

Public Member Functions
	ParsedOrbitalSpaceKey (const std::string &key)
	throws if key is not properly formatted
const std::string &	key () const
const std::string &	label () const
SpinCase1	spin () const

Static Public Member Functions
static std::string	key (const std::string &label, SpinCase1 spin)

Detailed Description

Parses keys of OrbitalSpace.

Although OrbitalSpace objects with arbitrary keys can be created, other components of MPQC assume certain rules for the keys. The simplest rule is that a key for a spin-polarized OrbitalSpace (i.e., that has spin-alpha and spin-beta variants) must encode the spin information. This class can encode and decode this information.

Another rule is how transformed OrbitalSpace objects are labeled.

See also

ParsedTranformedOrbitalSpaceKey

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

• src/lib/chemistry/qc/wfn/orbitalspace.h