MPQC::Chemistry_Molecule_impl Class Reference

Chemistry_Molecule_impl implements a class interface for molecule data. More...

#include <MPQC_Chemistry_Molecule_Impl.hh>

List of all members.

Public Member Functions

 Chemistry_Molecule_impl (struct MPQC_Chemistry_Molecule__object *s)
void _ctor ()
void _dtor ()
void initialize_pointer (void *ptr) throw ()
 user defined non-static method.
void setServices (::gov::cca::Services services) throw ()
 Obtain Services handle, through which the component communicates with the framework.
void initialize (int32_t natom) throw ()
 user defined non-static method.
::Physics::Units get_units () throw ()
 user defined non-static method.
int64_t get_n_atom () throw ()
 user defined non-static method.
int64_t get_atomic_number (int64_t atomnum) throw ()
 user defined non-static method.
void set_atomic_number (int64_t atomnum, int64_t atomic_number) throw ()
 user defined non-static method.
double get_net_charge () throw ()
 user defined non-static method.
void set_net_charge (double charge) throw ()
 user defined non-static method.
double get_cart_coor (int64_t atomnum, int32_t xyz) throw ()
 user defined non-static method.
void set_cart_coor (int64_t atomnum, int32_t xyz, double val) throw ()
 user defined non-static method.
::std::string get_atomic_label (int64_t atomnum) throw ()
 user defined non-static method.
void set_atomic_label (int64_t atomnum, const ::std::string &label) throw ()
 user defined non-static method.
::Physics::PointGroup get_symmetry () throw ()
 user defined non-static method.
::sidl::array< double > get_coor () throw ()
 user defined non-static method.
void set_coor (::sidl::array< double > x) throw ()
 user defined non-static method.


Detailed Description

Chemistry_Molecule_impl implements a class interface for molecule 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.


Member Function Documentation

void MPQC::Chemistry_Molecule_impl::setServices ( ::gov::cca::Services  services  )  throw ()

Obtain Services handle, through which the component communicates with the framework.

This is the one method that every CCA Component must implement. The component will be called with a nil/null Services pointer when it is to shut itself down.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:45 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.