Dakota  Version 6.19
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Pybind11Interface Class Reference
Inheritance diagram for Pybind11Interface:
DirectApplicInterface ApplicationInterface Interface

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 SharedApproxDatashared_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< Interfaceinterface_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.
 
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
 
- 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...
 

Protected 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
 
- 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_tvarTypeMap
 map from variable label to enum
 
std::map< String, driver_tdriverTypeMap
 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_tvarTypeDVV
 var_t enumerations corresponding to DVV components
 
std::vector< var_txCMLabels
 var_t enumerations corresponding to continuous variable labels
 
std::vector< var_txDIMLabels
 var_t enumerations corresponding to discrete integer variable labels
 
std::vector< var_txDRMLabels
 var_t enumerations corresponding to discrete real variable labels
 
std::vector< var_txDSMLabels
 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_tanalysisDriverTypes
 conversion of analysisDrivers to driver_t
 
size_t analysisDriverIndex
 the index of the active analysis driver within analysisDrivers
 
- Protected Attributes inherited from ApplicationInterface
ParallelLibraryparallelLib
 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

◆ 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: