QuantumChemistryCQoS

 // File: chem-interface.sidl:

 /** CQoSChem interface supports creation of performance databases and analysis of results by providing chemistry details. */
interface CQoSChemInterface extends CQoSInterface {

   /** Add the molecule info
      @param molecule. The Molecule object. */
  void add_molecule(  in Chemistry.MoleculeInterface molecule  );

   /** Add the model info
      @param model. The Model object. */
  void add_model(  in Chemistry.QC.ModelInterface model  );

   /** Add integral descriptor info (for integrals or operators)
      @param descriptor. The Descriptor details. */
  void add_descr(  in Chemistry.QC.GaussianBasis.DescrInterface descriptor  );

}

/** CQoSMachine interface supports creation of performance databases and
    analysis of results by providing machine details. */
interface CQoSMachineInterface extends CQoSInterface {

   /** Add machine config info
      @param machine_config. The Machine config details. */
  void add_machine_config (  in ?? machine_config  );

   /** Add software config info
      @param software_config. The Software config details. */
  void add_software_config (  in ?? software_config  );

}


/** CQoS interface supports creation of performance databases and
     analysis of results. */
 interface CQoSInterface extends gov.cca.Port {

   /** Add a calculation record to the CQoS database
       @param record The calculation record. */
   void add_record( in gov.cca.TypeMap record );

   /** Extend a calculation record to the CQoS database
      @param record The calculation record. */
   void extend_record( in gov.cca.TypeMap record );

   /** Get recommended parallel machine configuration.
       @param input The calculation input.
       @return config The recommended configuration. */
   gov.cca.TypeMap get_parallel_config( in gov.cca.TypeMap input );
 }