Symbol "MPQC.GaussianBasis_Molecular" (version 0.2). More...

#include <MPQC_GaussianBasis_Molecular_Impl.hh>

Public Member Functions
	GaussianBasis_Molecular_impl (struct MPQC_GaussianBasis_Molecular__object *s)
void	_ctor ()
void	_dtor ()
void	initialize (void *scbasis, const ::std::string &label) throw ()
	user defined non-static method.
void *	sc_gbs_pointer () throw ()
	user defined non-static method.
::std::string	get_label () throw ()
	Get the user specified name.
int64_t	get_n_basis () throw ()
	Get the number of basis functions.
int64_t	get_n_shell () throw ()
	Get the number of shells.
int64_t	get_max_angular_momentum () throw ()
	Get the max angular momentum for any contraction in the basis set.
::Chemistry::QC::GaussianBasis::AngularType	get_angular_type () throw ()
	Get the angular type.
::Chemistry::QC::GaussianBasis::Atomic	get_atomic (int64_t atomnum) throw ()
	Get an atomic basis set.
::Chemistry::Molecule	get_molecule () throw ()
	Get the molecule.
void	print_molecular () throw ()
	Print the molecular basis data.

Static Public Member Functions
static void	_load ()

Detailed Description

Symbol "MPQC.GaussianBasis_Molecular" (version 0.2).

GaussianBasis_Molecular_impl implements a class interface for molecular gaussian basis set data.

This is an implementation of a SIDL interface. The stub code is generated by the Babel tool. Do not make modifications outside of splicer blocks, as these will be lost. This is a server implementation for a Babel class, the Babel client code is provided by the cca-chem-generic package.