83 class Chemistry_QC_ModelFactory_impl
127 Chemistry_QC_ModelFactory self;
132 std::string molecule_filename_;
133 StringParameter *theory_param_, *basis_param_, *molecule_filename_param_,
134 *keyval_filename_param_, *integral_buffer_param_;
136 gov::cca::Services services_;
138 Chemistry::MoleculeFactory molecule_factory_;
139 Chemistry::Molecule molecule_;
140 Chemistry::QC::GaussianBasis::IntegralEvaluatorFactory eval_factory_;
148 ConfigurableParameterPort*
149 setup_parameters(ConfigurableParameterFactory*);
155 Chemistry_QC_ModelFactory_impl()
162 Chemistry_QC_ModelFactory_impl(
struct
163 MPQC_Chemistry_QC_ModelFactory__object * s ) : self(s,
true) { _ctor(); }
169 virtual ~Chemistry_QC_ModelFactory_impl() { _dtor(); }
199 ::gov::cca::Services services
202 ::gov::cca::CCAException
212 const ::std::string& theory
224 const ::std::string& basis
236 ::Chemistry::Molecule molecule
249 ::Chemistry::QC::GaussianBasis::IntegralEvaluatorFactory intfact
260 ::Chemistry::QC::Model
262 ::sidl::BaseException