Pybind11Interface Class Reference

Inheritance diagram for Pybind11Interface:

Public Member Functions
	Pybind11Interface (const ProblemDescDB &problem_db)
	constructor
	~Pybind11Interface ()
	destructor
void	register_pybind11_callback_fn (py::function callback)
	register a python callback function
void	register_pybind11_callback_fns (const std::map< String, py::function > &callbacks)
	register a collection of python callback functions
template<typename RetT , class O , class S >
RetT	copy_array_to_pybind11 (const Teuchos::SerialDenseVector< O, S > &src) const
Public Member Functions inherited from DirectApplicInterface
	DirectApplicInterface (const ProblemDescDB &problem_db)
	constructor
	~DirectApplicInterface ()
	destructor
void	derived_map (const Variables &vars, const ActiveSet &set, Response &response, int fn_eval_id)
	Called by map() and other functions to execute the simulation in synchronous mode. The portion of performing an evaluation that is specific to a derived class.
int	synchronous_local_analysis (int analysis_id)
const StringArray &	analysis_drivers () const
	retrieve the analysis drivers specification for application interfaces
Public Member Functions inherited from ApplicationInterface
	ApplicationInterface (const ProblemDescDB &problem_db)
	constructor
	~ApplicationInterface ()
	destructor
Public Member Functions inherited from Interface
	Interface ()
	default constructor More...
	Interface (ProblemDescDB &problem_db)
	standard constructor for envelope More...
	Interface (const Interface &interface_in)
	copy constructor More...
virtual	~Interface ()
	destructor
Interface	operator= (const Interface &interface_in)
	assignment operator
virtual int	minimum_points (bool constraint_flag) const
	returns the minimum number of points required to build a particular ApproximationInterface (used by DataFitSurrModels).
virtual int	recommended_points (bool constraint_flag) const
	returns the recommended number of points required to build a particular ApproximationInterface (used by DataFitSurrModels).
virtual void	active_model_key (const Pecos::ActiveKey &key)
	activate an approximation state based on its key
virtual void	clear_model_keys ()
	reset initial state by removing all model keys for an approximation
virtual void	approximation_function_indices (const SizetSet &approx_fn_indices)
	set the (currently active) approximation function index set
virtual void	update_approximation (const Variables &vars, const IntResponsePair &response_pr)
	updates the anchor point for an approximation
virtual void	update_approximation (const RealMatrix &samples, const IntResponseMap &resp_map)
	updates the current data points for an approximation
virtual void	update_approximation (const VariablesArray &vars_array, const IntResponseMap &resp_map)
	updates the current data points for an approximation
virtual void	append_approximation (const Variables &vars, const IntResponsePair &response_pr)
	appends a single point to an existing approximation
virtual void	append_approximation (const RealMatrix &samples, const IntResponseMap &resp_map)
	appends multiple points to an existing approximation
virtual void	append_approximation (const VariablesArray &vars_array, const IntResponseMap &resp_map)
	appends multiple points to an existing approximation
virtual void	append_approximation (const IntVariablesMap &vars_map, const IntResponseMap &resp_map)
	appends multiple points to an existing approximation
virtual void	replace_approximation (const IntResponsePair &response_pr)
	replace the response for a single point within an existing approximation
virtual void	replace_approximation (const IntResponseMap &resp_map)
	replace responses for multiple points within an existing approximation
virtual void	track_evaluation_ids (bool track)
	assigns trackEvalIds to activate tracking of evaluation ids within surrogate data, enabling id-based lookups for data replacement
virtual void	build_approximation (const RealVector &c_l_bnds, const RealVector &c_u_bnds, const IntVector &di_l_bnds, const IntVector &di_u_bnds, const RealVector &dr_l_bnds, const RealVector &dr_u_bnds)
	builds the approximation
virtual void	export_approximation ()
	export the approximation to disk
virtual void	rebuild_approximation (const BitArray &rebuild_fns)
	rebuilds the approximation after a data update
virtual void	pop_approximation (bool save_data)
	removes data from last append from the approximation
virtual void	push_approximation ()
	retrieves approximation data from a previous state (negates pop)
virtual bool	push_available ()
	queries the approximation for the ability to retrieve a previous increment
virtual void	finalize_approximation ()
	finalizes the approximation by applying all trial increments
virtual void	combine_approximation ()
	combine the current approximation with previously stored data sets
virtual void	combined_to_active (bool clear_combined=true)
	promote the combined approximation to the currently active one
virtual void	clear_inactive ()
	clear inactive approximation data
virtual bool	advancement_available ()
	query for available advancements in approximation resolution controls
virtual bool	formulation_updated () const
	query for change in approximation formulation
virtual void	formulation_updated (bool update)
	assign an updated status for approximation formulation to force rebuild
virtual Real2DArray	cv_diagnostics (const StringArray &metric_types, unsigned num_folds)
	approximation cross-validation quality metrics per response function
virtual RealArray	challenge_diagnostics (const String &metric_type, const RealMatrix &challenge_pts)
	approximation challenge data metrics per response function
virtual void	clear_current_active_data ()
	clears current data from an approximation interface
virtual void	clear_active_data ()
	clears all data from an approximation interface
virtual SharedApproxData &	shared_approximation ()
	retrieve the SharedApproxData within an ApproximationInterface
virtual std::vector< Approximation > &	approximations ()
	retrieve the Approximations within an ApproximationInterface
virtual const Pecos::SurrogateData &	approximation_data (size_t fn_index)
	retrieve the approximation data from a particular Approximation within an ApproximationInterface
virtual const RealVectorArray &	approximation_coefficients (bool normalized=false)
	retrieve the approximation coefficients from each Approximation within an ApproximationInterface
virtual void	approximation_coefficients (const RealVectorArray &approx_coeffs, bool normalized=false)
	set the approximation coefficients within each Approximation within an ApproximationInterface
virtual const RealVector &	approximation_variances (const Variables &vars)
	retrieve the approximation variances from each Approximation within an ApproximationInterface
virtual const String2DArray &	analysis_components () const
	retrieve the analysis components, if available
virtual void	discrepancy_emulation_mode (short mode)
	set discrepancy emulation mode used for approximating response differences
virtual void	file_cleanup () const
	clean up any interface parameter/response files when aborting
IntResponseMap &	response_map ()
	return rawResponseMap
void	cache_unmatched_response (int raw_id)
	migrate an unmatched response record from rawResponseMap to cachedResponseMap
void	cache_unmatched_responses ()
	migrate all remaining response records from rawResponseMap to cachedResponseMap
void	assign_rep (std::shared_ptr< Interface > interface_rep)
	assign letter or replace existing letter with a new one More...
void	assign_rep (Interface *interface_rep, bool ref_count_incr=false)
	assign letter or replace existing letter with a new one DEPRECATED, but left for library mode clients to migrate: transfers memory ownership to the contained shared_ptr; ref_count_incr is ignored More...
unsigned short	interface_type () const
	returns the interface type
const String &	interface_id () const
	returns the interface identifier
int	evaluation_id () const
	returns the value of the (total) evaluation id counter for the interface
void	fine_grained_evaluation_counters (size_t num_fns)
	set fineGrainEvalCounters to true and initialize counters if needed
void	init_evaluation_counters (size_t num_fns)
	initialize fine grained evaluation counters, sizing if needed
void	set_evaluation_reference ()
	set evaluation count reference points for the interface
void	print_evaluation_summary (std::ostream &s, bool minimal_header, bool relative_count) const
	print an evaluation summary for the interface
bool	multi_proc_eval () const
	returns a flag signaling the use of multiprocessor evaluation partitions
bool	iterator_eval_dedicated_master () const
	returns a flag signaling the use of a dedicated master processor at the iterator-evaluation scheduling level
bool	is_null () const
	function to check interfaceRep (does this envelope contain a letter?)
std::shared_ptr< Interface >	interface_rep ()
	function to return the letter
void	eval_tag_prefix (const String &eval_id_str, bool append_iface_id=true)
	set the evaluation tag prefix (does not recurse) More...

Protected Member Functions
void	init_communicators_checks (int max_eval_concurrency)
void	set_communicators_checks (int max_eval_concurrency)
void	initialize_driver (const String &ac_name)
virtual int	derived_map_ac (const String &ac_name)
	execute an analysis code portion of a direct evaluation invocation More...
virtual void	derived_map_asynch (const ParamResponsePair &pair)
	Python supports batch only, not true asynch (this is no-op) More...
virtual void	wait_local_evaluations (PRPQueue &prp_queue)
	Python supports batch only, not true asynch (this does the work)
virtual void	test_local_evaluations (PRPQueue &prp_queue)
	Python supports batch only, not true asynch, so this blocks.
Protected Member Functions inherited from DirectApplicInterface
virtual int	derived_map_if (const Dakota::String &if_name)
	execute the input filter portion of a direct evaluation invocation
virtual int	derived_map_ac (const Dakota::String &ac_name)
	execute an analysis code portion of a direct evaluation invocation More...
virtual int	derived_map_of (const Dakota::String &of_name)
	execute the output filter portion of a direct evaluation invocation
virtual void	set_local_data (const Variables &vars, const ActiveSet &set)
	convenience function for local test simulators which sets per-evaluation variable and active set attributes; derived classes reimplementing this likely need to invoke the base class API
virtual void	set_local_data (const Response &response)
	convenience function for local test simulators which sets per-evaluation response attributes; derived classes reimplementing this likely need to invoke the base class API
virtual void	set_local_data (const Variables &vars, const ActiveSet &set, const Response &response)
	convenience function for local test simulators which sets per-evaluation variable, active set, and response attributes; derived classes reimplementing this likely need to invoke the base class API
void	overlay_response (Response &response)
	convenience function for local test simulators which overlays response contributions from multiple analyses using MPI_Reduce
Protected Member Functions inherited from ApplicationInterface
void	init_communicators (const IntArray &message_lengths, int max_eval_concurrency)
	allocate communicator partitions for concurrent evaluations within an iterator and concurrent multiprocessor analyses within an evaluation.
void	set_communicators (const IntArray &message_lengths, int max_eval_concurrency)
	set the local parallel partition data for an interface (the partitions are already allocated in ParallelLibrary).
void	init_serial ()
int	asynch_local_evaluation_concurrency () const
	return asynchLocalEvalConcurrency
short	interface_synchronization () const
	return interfaceSynchronization
bool	evaluation_cache () const
	return evalCacheFlag
bool	restart_file () const
	return evalCacheFlag
String	final_eval_id_tag (int fn_eval_id)
	form and return the final evaluation ID tag, appending iface ID if needed
void	map (const Variables &vars, const ActiveSet &set, Response &response, bool asynch_flag=false)
	Provides a "mapping" of variables to responses using a simulation. Protected due to Interface letter-envelope idiom. More...
void	manage_failure (const Variables &vars, const ActiveSet &set, Response &response, int failed_eval_id)
	manages a simulation failure using abort/retry/recover/continuation
const IntResponseMap &	synchronize ()
	executes a blocking schedule for asynchronous evaluations in the beforeSynchCorePRPQueue and returns all jobs More...
const IntResponseMap &	synchronize_nowait ()
	executes a nonblocking schedule for asynchronous evaluations in the beforeSynchCorePRPQueue and returns a partial set of completed jobs More...
void	serve_evaluations ()
	run on evaluation servers to serve the iterator master More...
void	stop_evaluation_servers ()
	used by the iterator master to terminate evaluation servers More...
bool	check_multiprocessor_analysis (bool warn)
	checks on multiprocessor analysis configuration
bool	check_asynchronous (bool warn, int max_eval_concurrency)
	checks on asynchronous configuration (for direct interfaces)
bool	check_multiprocessor_asynchronous (bool warn, int max_eval_concurrency)
	checks on asynchronous settings for multiprocessor partitions
String	final_batch_id_tag ()
	form and return the final batch ID tag
void	master_dynamic_schedule_analyses ()
	blocking dynamic schedule of all analyses within a function evaluation using message passing More...
void	serve_analyses_synch ()
	serve the master analysis scheduler and manage one synchronous analysis job at a time More...
Protected Member Functions inherited from Interface
	Interface (BaseConstructor, const ProblemDescDB &problem_db)
	constructor initializes the base class part of letter classes (BaseConstructor overloading avoids infinite recursion in the derived class constructors - Coplien, p. 139) More...
	Interface (NoDBBaseConstructor, size_t num_fns, short output_level)
	constructor initializes the base class part of letter classes (NoDBBaseConstructor used for on the fly instantiations without a DB)
void	init_algebraic_mappings (const Variables &vars, const Response &response)
	Define algebraicACVIndices, algebraicACVIds, and algebraicFnIndices.
void	asv_mapping (const ActiveSet &total_set, ActiveSet &algebraic_set, ActiveSet &core_set)
	define the evaluation requirements for algebraic_mappings() (algebraic_set) and the core Application/Approximation mapping (core_set) from the total Interface evaluation requirements (total_set)
void	asv_mapping (const ActiveSet &algebraic_set, ActiveSet &total_set)
	map an algebraic ASV back to original total ordering for asynch recovery
void	algebraic_mappings (const Variables &vars, const ActiveSet &algebraic_set, Response &algebraic_response)
	evaluate the algebraic_response using the AMPL solver library and the data extracted from the algebraic_mappings file
void	response_mapping (const Response &algebraic_response, const Response &core_response, Response &total_response)
	combine the response from algebraic_mappings() with the response from derived_map() to create the total response More...

Private Member Functions
int	pybind11_run (const String &ac_name)
	direct interface to Pybind11 via API
template<typename RetT , class ArrayT , typename T >
RetT	copy_array_to_pybind11 (const ArrayT &src) const
	copy Dakota arrays to pybind11 lists via std::vector<> copy
template<typename RetT , typename OrdinalType , typename ScalarType >
RetT	copy_array_to_pybind11 (const Teuchos::SerialDenseVector< OrdinalType, ScalarType > &src) const
	specialized copy Dakota arrays to pybind11 lists via std::vector<> copy
py::dict	params_to_dict () const
	Translate Dakota parameters into returned Python dictionary in numpy or array format.
template<typename T >
py::dict	pack_kwargs () const
	generalized Python dictionary packing to support either lists or numpy arrays
void	unpack_python_response (const ShortArray &asv, const size_t num_derivs, const pybind11::dict &py_response, RealVector &fn_values, RealMatrix &gradients, RealSymMatrixArray &hessians, RealArray &metadata)
	populate values, gradients, Hessians from Python to Dakota
bool	expect_derivative (const ShortArray &asv, const short deriv_type) const
	return true if the passed asv value is requested for any function
std::string	eval_id_string () const
	Compute the evaluation id.

Private Attributes
bool	userNumpyFlag
	whether the user requested numpy data structures in the input file
bool	ownPython
	true if this class created the interpreter instance
py::function	py11CallBack
	callback function for analysis driver
bool	py11Active

Additional Inherited Members
Protected Attributes inherited from DirectApplicInterface
String	iFilterName
	name of the direct function input filter
String	oFilterName
	name of the direct function output filter
driver_t	iFilterType
	enum type of the direct function input filter
driver_t	oFilterType
	enum type of the direct function output filter
bool	gradFlag
	signals use of fnGrads in direct simulator functions
bool	hessFlag
	signals use of fnHessians in direct simulator functions
size_t	numFns
	number of functions in fnVals
size_t	numVars
	total number of continuous and discrete variables
size_t	numACV
	total number of continuous variables
size_t	numADIV
	total number of discete integer variables
size_t	numADRV
	total number of discete real variables
size_t	numADSV
	total number of discete string variables
size_t	numDerivVars
	number of active derivative variables
unsigned short	localDataView
	bit-wise record of which local data views are active; see enum local_data_t
RealVector	xC
	continuous variables used within direct simulator fns
IntVector	xDI
	discrete int variables used within direct simulator fns
RealVector	xDR
	discrete real variables used within direct simulator fns
StringMultiArray	xDS
	discrete string variables used within direct simulator fns
StringMultiArray	xCLabels
	continuous variable labels
StringMultiArray	xDILabels
	discrete integer variable labels
StringMultiArray	xDRLabels
	discrete real variable labels
StringMultiArray	xDSLabels
	discrete string variable labels
StringArray	xAllLabels
	all variable labels in input spec order
RealArray	metaData
	real-valued metadata
StringArray	metaDataLabels
	labels for optional metadata
std::map< String, var_t >	varTypeMap
	map from variable label to enum
std::map< String, driver_t >	driverTypeMap
	map from driver name to enum
std::map< var_t, Real >	xCM
	map from var_t enum to continuous value
std::map< var_t, int >	xDIM
	map from var_t enum to discrete int value
std::map< var_t, Real >	xDRM
	map from var_t enum to discrete real value
std::map< var_t, String >	xDSM
	map from var_t enum to discrete string val
std::vector< var_t >	varTypeDVV
	var_t enumerations corresponding to DVV components
std::vector< var_t >	xCMLabels
	var_t enumerations corresponding to continuous variable labels
std::vector< var_t >	xDIMLabels
	var_t enumerations corresponding to discrete integer variable labels
std::vector< var_t >	xDRMLabels
	var_t enumerations corresponding to discrete real variable labels
std::vector< var_t >	xDSMLabels
	var_t enumerations corresponding to discrete string variable labels
ShortArray	directFnASV
	class scope active set vector
SizetArray	directFnDVV
	class scope derivative variables vector
RealVector	fnVals
	response fn values within direct simulator fns
RealMatrix	fnGrads
	response fn gradients w/i direct simulator fns
RealSymMatrixArray	fnHessians
	response fn Hessians within direct fns
StringArray	analysisDrivers
	the set of analyses within each function evaluation (from the analysis_drivers interface specification)
std::vector< driver_t >	analysisDriverTypes
	conversion of analysisDrivers to driver_t
size_t	analysisDriverIndex
	the index of the active analysis driver within analysisDrivers
Protected Attributes inherited from ApplicationInterface
ParallelLibrary &	parallelLib
	reference to the ParallelLibrary object used to manage MPI partitions for the concurrent evaluations and concurrent analyses parallelism levels
bool	batchEval
	flag indicating usage of batch evaluation facilities, where a set of jobs is launched and scheduled as a unit rather than individually
bool	asynchFlag
	flag indicating usage of asynchronous evaluation
int	batchIdCntr
	maintain a count of the batches
bool	suppressOutput
	flag for suppressing output on slave processors
int	evalCommSize
	size of evalComm
int	evalCommRank
	processor rank within evalComm
int	evalServerId
	evaluation server identifier
bool	eaDedMasterFlag
	flag for dedicated master partitioning at ea level
int	analysisCommSize
	size of analysisComm
int	analysisCommRank
	processor rank within analysisComm
int	analysisServerId
	analysis server identifier
int	numAnalysisServers
	current number of analysis servers
bool	multiProcAnalysisFlag
	flag for multiprocessor analysis partitions
bool	asynchLocalAnalysisFlag
	flag for asynchronous local parallelism of analyses
int	asynchLocalAnalysisConcurrency
	limits the number of concurrent analyses in asynchronous local scheduling and specifies hybrid concurrency when message passing
int	asynchLocalEvalConcSpec
	user specification for asynchronous local evaluation concurrency
int	asynchLocalAnalysisConcSpec
	user specification for asynchronous local analysis concurrency
int	numAnalysisDrivers
	the number of analysis drivers used for each function evaluation (from the analysis_drivers interface specification)
IntSet	completionSet
	the set of completed fn_eval_id's populated by wait_local_evaluations() and test_local_evaluations()
String	failureMessage
	base message for managing failed evals; will be followed with more details in screen output
Protected Attributes inherited from Interface
unsigned short	interfaceType
	the interface type: enum for system, fork, direct, grid, or approximation
String	interfaceId
	the interface specification identifier string from the DAKOTA input file
bool	algebraicMappings
	flag for the presence of algebraic_mappings that define the subset of an Interface's parameter to response mapping that is explicit and algebraic.
bool	coreMappings
	flag for the presence of non-algebraic mappings that define the core of an Interface's parameter to response mapping (using analysis_drivers for ApplicationInterface or functionSurfaces for ApproximationInterface).
short	outputLevel
	output verbosity level: {SILENT,QUIET,NORMAL,VERBOSE,DEBUG}_OUTPUT
int	currEvalId
	identifier for the current evaluation, which may differ from the evaluation counters in the case of evaluation scheduling; used on iterator master as well as server processors. Currently, this is set prior to all invocations of derived_map() for all processors.
bool	fineGrainEvalCounters
	controls use of fn val/grad/hess counters for detailed evaluation report
int	evalIdCntr
	total interface evaluation counter
int	newEvalIdCntr
	new (non-duplicate) interface evaluation counter
int	evalIdRefPt
	iteration reference point for evalIdCntr
int	newEvalIdRefPt
	iteration reference point for newEvalIdCntr
IntArray	fnValCounter
	number of value evaluations by resp fn
IntArray	fnGradCounter
	number of gradient evaluations by resp fn
IntArray	fnHessCounter
	number of Hessian evaluations by resp fn
IntArray	newFnValCounter
	number of new value evaluations by resp fn
IntArray	newFnGradCounter
	number of new gradient evaluations by resp fn
IntArray	newFnHessCounter
	number of new Hessian evaluations by resp fn
IntArray	fnValRefPt
	iteration reference point for fnValCounter
IntArray	fnGradRefPt
	iteration reference point for fnGradCounter
IntArray	fnHessRefPt
	iteration reference point for fnHessCounter
IntArray	newFnValRefPt
	iteration reference point for newFnValCounter
IntArray	newFnGradRefPt
	iteration reference point for newFnGradCounter
IntArray	newFnHessRefPt
	iteration reference point for newFnHessCounter
IntResponseMap	rawResponseMap
	Set of responses returned by either a blocking or nonblocking schedule. More...
IntResponseMap	cachedResponseMap
	Set of available asynchronous responses completed within a blocking or nonblocking scheduler that cannot be processed in a higher level context and need to be stored for later.
StringArray	fnLabels
	response function descriptors (used in print_evaluation_summary() and derived direct interface classes); initialized in map() functions due to potential updates after construction
bool	multiProcEvalFlag
	flag for multiprocessor evaluation partitions (evalComm)
bool	ieDedMasterFlag
	flag for dedicated master partitioning at the iterator level
String	evalTagPrefix
	set of period-delimited evaluation ID tags to use in evaluation tagging
bool	appendIfaceId
	whether to append the interface ID to the prefix during map (default true)
String2DArray	analysisComponents
	Analysis components for interface types that support them.

Detailed Description

Specialization of DirectApplicInterface to link to Python analysis drivers.

Member Function Documentation

init_communicators_checks()

void init_communicators_checks ( int  max_eval_concurrency )

inlineprotectedvirtual

Process init issues as warnings since some contexts (e.g., EnsembleSurrModel) initialize more configurations than will be used and DirectApplicInterface allows override by derived plug-ins.

Reimplemented from DirectApplicInterface.

set_communicators_checks()

void set_communicators_checks ( int  max_eval_concurrency )

inlineprotectedvirtual

Process run-time issues as hard errors.

Reimplemented from DirectApplicInterface.

derived_map_ac()

int derived_map_ac ( const String &  ac_name )

protectedvirtual

execute an analysis code portion of a direct evaluation invocation

Python specialization of derived analysis components.

References ApplicationInterface::analysisServerId, DirectApplicInterface::directFnASV, DirectApplicInterface::directFnDVV, DirectApplicInterface::fnGrads, DirectApplicInterface::fnHessians, DirectApplicInterface::fnVals, DirectApplicInterface::metaData, Pybind11Interface::params_to_dict(), Pybind11Interface::py11CallBack, and Pybind11Interface::unpack_python_response().

derived_map_asynch()

void derived_map_asynch ( const ParamResponsePair &  pair )

protectedvirtual

Python supports batch only, not true asynch (this is no-op)

This is a no-op as all work takes place in wait/test_local_evaluations

Reimplemented from DirectApplicInterface.

---

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

• Pybind11Interface.hpp
• Pybind11Interface.cpp