Module_based_workflow Class Reference

Representaiont of the workflow of an application enriched with default options. More...

#include <Module_based_workflow.hpp>

Public Types
typedef T_Module_based_workflow	Base
typedef T_Module_based_workflow< Dummy >	Self
typedef Workflow_graph_traits::vertex_descriptor	Vertex
	Representation of a verttex in the workflow that could be a module, or the Start or End vertices. More...
typedef Workflow_graph_traits::edge_descriptor	Edge
	Representation of the flow of information in the workflow. More...

Public Member Functions
	Module_based_workflow (const std::string &application_name="no-application-name")
	Initialize this application with a name. More...
virtual boost::program_options::options_description	add_options (void) const
	Virtual method for adding options to the module. More...

Static Public Member Functions
static boost::program_options::options_description *&	get_options (void)
	Access to the options' description of the module. More...
static bool	has_options (void)
static void	delete_options (void)
static void	initialize_options (const std::string &caption)

Mandatory Requirements
std::string	get_name (void) const
	Returns the name of the package. More...
void	run (unsigned verbose, std::ostream &out)
	Runs the module following the input options. More...
bool	is_runnable (void) const
	Checks that all the input options were set. More...
void	statistics (std::ostream &out)
	Reports high-level statistics on the module. More...

Optional Requirements
bool	check_options (std::string &message) const
	Checks that the input options' values are coherent. More...
void	add_options (boost::program_options::options_description *options, bool pre_module)
std::string	get_output_prefix (void) const
	Returns a prefix that concatains the input line options used when running the module. More...
void	report (const std::string &prefix)
	Reports the output and statistics in output files. More...

Based Options
bool	get_report_at_end (void) const
void	add_helper (const std::string &helper)
	Set the helper of the application. More...
std::ostream &	log (void)
	Stream for the standard output, that can be either the shell or a file. More...
unsigned	verbose (void) const
	Return the verbosity level for the workflow : 0 (no output), 1 (output during the run), 2 (output during the statistics) or 3 (all output). More...

Modules
Vertex	get_start_vertex (void) const
IO::Loader_base &	get_loader (unsigned i)
const IO::Loader_base &	get_loader (unsigned i) const
Module_base &	get_module (Vertex u)
unsigned	get_number_of_loaders (void) const
template<class Loader >
Loader *	add_loader (const std::string &name="")
	Registers a loader into the automaton: note that loaders are executed before the modules. More...
template<class Loader >
Loader *	add_loader (Loader &loader, const std::string &name="")
	Registers a loader into the automaton: note that loaders are executed before the modules. More...
template<class Module >
Vertex	register_module (const std::string &name="")
	Registers a module with an input: note that modules are executed in a FIFO manner. More...
Vertex	register_module (Module_base &module, const std::string &name="")
	Registers a module without any input: note that modules are executed in a FIFO manner. More...
void	make_optional_module (Vertex u, const std::string &option_name, const std::string &option_helper)
	Registers a module with an input: note that modules are executed in a FIFO manner. More...
template<class Module1 , class Module2 >
Vertex	make_conjunction (Vertex u, Vertex v)
	Make a module that is the conjunction of the two input modules. More...
template<class ModuleOut , class Predicate , class UpdateIfTrue >
void	make_start_condition (const Predicate &P, Vertex v, const UpdateIfTrue &update_true, const std::string &predicate_name, const std::string &update_name="")
	Make a condition module with exactly one possible outflow, and a predicate for checking if it is followed. More...
template<class ModuleOutTrue , class ModuleOutFalse , class Predicate , class UpdateIfTrue , class UpdateIfFalse >
void	make_start_condition (const Predicate &P, Vertex v, const UpdateIfTrue &update_true, Vertex w, const UpdateIfFalse &update_false, const std::string &predicate_name, const std::string &update_name="")
	Make a condition module with exactly two possible outflows, and a predicate for checking which one to follow. More...
template<class ModuleIn , class ModuleOut , class Predicate , class UpdateIfTrue >
void	make_condition (Vertex u, const Predicate &P, Vertex v, const UpdateIfTrue &update_true, const std::string &predicate_name, const std::string &update_name="")
	Make a condition module with exactly one possible outflow, and a predicate for checking if it is followed. More...
template<class ModuleIn , class ModuleOutTrue , class ModuleOutFalse , class Predicate , class UpdateIfTrue , class UpdateIfFalse >
void	make_condition (Vertex u, const Predicate &P, Vertex v, const UpdateIfTrue &update_true, Vertex w, const UpdateIfFalse &update_false, const std::string &predicate_name, const std::string &update_name="")
	Make a condition module with exactly two possible outflows, and a predicate for checking which one to follow. More...

Flows
void	set_start_module (Vertex u)
	Modules connected to the start vertex will be first executed; in case of multiple vertices, the modules are executed in an arbitrary order. More...
void	set_end_module (Vertex u)
	The results of all modules connected to the end vertex are reported. More...
template<class Transformer >
void	make_module_flow (Vertex u, Vertex v, const Transformer &join, const std::string &name="")
	Connect the modules represented by the vertices u (source output) and v (target input); if any output data from u should be passed to the input data of v, it is done through the join functor; the optional name is displayed over the edge of the graph when printing the workflow. More...

Running the workflow
bool	is_valid_workflow (unsigned verbose, std::ostream &out) const
void	parse_command_line (int argc, char *argv[])
	Parses the command line options and store the values of the options: the check_options method is called for all loaders and all modules. More...
void	load (std::size_t i)
	Load the data using the loaders. More...
void	load (void)
	Load the data using the loaders. More...
void	start (void)
	Runs the application by pushing into the stack the Start vertex. More...

Modules Management
void	set_module_instance_name (const std::string &module_instance_name)
	Sets a name for this instance of this module. In particular, it will be used in the prefix of output files generated by a collection of modules. More...
const std::string &	get_module_instance_name (void) const
	Get the name of this instance of this module. More...
void	set_report_mode (std::ios_base::openmode report_mode)
	Set a report mode, that is open or append modes. More...
void	set_report_mode (std::ios_base::openmode &report_mode)
	Set a report mode, that is open or append modes. More...
const std::ios_base::openmode	get_report_mode (void) const
	Get the report mode to be used when reporting. More...

Optional Requirements
void	check_filesystem_directory_exists (const std::string &output_prefix)
	To avoid later crash: check filesystem / existence of directory / directory exists. More...

Others
template<class Self_ >
Self_ *	clone (const Self_ *s) const
	Clones the object using the copy constructor. More...
virtual bool	is_logical_module (void) const
	Checks that this module defines a logical operator. More...
virtual bool	is_condition_module (void) const
	Checks that this module defines a condition operator. More...
virtual bool	operator() (void)
	Only for condition modules, for returning the predicate value. More...
virtual bool	is_modules_collection (void) const
	Checks that this module defines a collection of modules. More...

Detailed Description

Representaiont of the workflow of an application enriched with default options.

It provides the following functionnality:

• a prefix for the output files (that can be imposed or deduced automatically from the options),

• a directory where to create the output files,

• a log system allowing to put the log on the standard output or in a log file,

• a help system allowing to interrupt the application by providing the list of options,

• a verbose system allowing to switch between two modes of verbosity levels,

• a timer system allowing to compute the time spent in a routine and to deduce the total spent time.

Member Typedef Documentation

Base

typedef T_Module_based_workflow Base

Edge

typedef Workflow_graph_traits::edge_descriptor Edge

inherited

Representation of the flow of information in the workflow.

Self

typedef T_Module_based_workflow<Dummy> Self

inherited

Vertex

typedef Workflow_graph_traits::vertex_descriptor Vertex

inherited

Representation of a verttex in the workflow that could be a module, or the Start or End vertices.

Constructor & Destructor Documentation

Module_based_workflow()

Module_based_workflow ( const std::string &  application_name = "no-application-name" )

inline

Initialize this application with a name.

Member Function Documentation

add_helper()

void add_helper ( const std::string &  helper )

inlineinherited

Set the helper of the application.

add_loader() [1/2]

Loader * add_loader ( const std::string &  name = "" )

inlineinherited

Registers a loader into the automaton: note that loaders are executed before the modules.

add_loader() [2/2]

Loader * add_loader ( Loader &  loader, const std::string &  name = ""  )

inlineinherited

Registers a loader into the automaton: note that loaders are executed before the modules.

add_options() [1/2]

void add_options ( boost::program_options::options_description *  options, bool  pre_module  )

inlineinherited

add_options() [2/2]

virtual boost::program_options::options_description add_options ( void  ) const

inlinevirtualinherited

Virtual method for adding options to the module.

Reimplemented in T_Transition_graph_builder_from_DB_of_critical_points_module< ModuleTraits >, T_Space_filling_model_shelling_diagram_comparison_module< ModuleTraits >, T_Space_filling_model_interface_finder_module< ModuleTraits >, T_Space_filling_model_outer_approximation_module< ModuleTraits >, T_Space_filling_model_interpolated_approximation_module< ModuleTraits >, T_Space_filling_model_inner_approximation_module< ModuleTraits >, T_Weights_file_loader< FT >, T_Graph_loader< GraphType, FT >, T_Stop_criterion_module< ModuleTraits >, T_Sample_selector_module< ModuleTraits >, T_Sample_extender_module< ModuleTraits >, T_Force_field_atomic_traits< TForceFieldFunctionTraits >::Potential_energy_parameters_loader, T_Exploration_parameters_update_module< ModuleTraits >, T_Exploration_parameters_with_layers< NumberType, Distance >, T_Exploration_parameters_default< NumberType, Distance >, T_Acceptance_test_module< ModuleTraits >, T_Graph_loader< GraphType, FT >, T_Energy_landscape_transition_graph_landmarks_paths_module< ModuleTraits >, T_Weighted_vertex_graph_loader< PointD, WeightType, GraphType >, T_Weighted_points_d_loader< PointD, WeightType >, T_Sequences_loader< FT >, T_Graph_loader< Graph >, T_Correlated_motions_by_domain_module< ModuleTraits >, T_Conformational_ensemble_symmetric_difference_module< ModuleTraits >, T_Graph_loader< GraphType, FT >, T_Union_of_balls_surface_volume_3_module< ModuleTraits, OutputArchive >, T_Union_of_balls_mesh_3_module< ModuleTraits >, T_Union_of_balls_boundary_patch_shelling_3_module< ModuleTraits, OutputArchive >, T_Union_of_balls_boundary_3_module< ModuleTraits, ExactNT >, T_Tertiary_quaternary_structure_annotator_module< ModuleTraits >, T_Spatial_search_module< ModuleTraits, ApproximatedSpatialSearchEngine >, T_RST_MST_D_Family_matching_module< ModuleTraits >, T_Nearest_neighbors_graph_builder_module< ModuleTraits >, T_Morse_theory_based_analyzer_module< ModuleTraits, MorseSmaleWittenChainComplex >, T_Morse_theory_based_analyzer_module< ModuleTraits, SBL::GT::T_Morse_Smale_Witten_chain_complex_from_vertex_weighted_graph_builder< typename ModuleTraits::Graph, typename ModuleTraits::Get_weight >::Morse_Smale_Witten_chain_complex >, T_Morse_theory_based_analyzer_module< ModuleTraits, SBL::GT::T_Morse_Smale_Witten_chain_complex_from_weighted_graph_builder< typename ModuleTraits::Graph, typename ModuleTraits::Get_weight >::Morse_Smale_Witten_chain_complex >, T_Morse_theory_based_analyzer_module< ModuleTraits, SBL::GT::T_Morse_Smale_Witten_chain_complex_from_NNG_builder< ModuleTraits::Nearest_neighbors_graph, ModuleTraits::Morse_function, ModuleTraits::Distance_graph_function >::Morse_Smale_Witten_chain_complex >, T_Molecular_interfaces_module< ModuleTraits >, T_Modules_collection< Module, SetIndividualInput >, T_Earth_mover_distance_module< ModuleTraits >, T_D_Family_matching_module< ModuleTraits, TSolutionComputer >, T_Buried_surface_area_without_label_module< ModuleTraits >, T_Buried_surface_area_with_labels_module< ModuleTraits >, T_Alpha_complex_of_molecular_model_module< ModuleTraits >, T_XTC_file_loader< ConformationType, ConformationBuilder, ESBTLMolecularSystem, PDBLineFormat >, T_Spheres_3_file_loader< Sphere3, Point3 >, T_Radius_annotator_for_particles_with_annotated_name< NT, SetRadius >, T_Points_d_file_loader< PointD >, T_PDB_file_loader< ESBTLMolecularSystem, PDBLineFormat >, T_PDB_file_loader< Molecular_system >, T_Particle_annotator_collector< ParticleAnnotator1, ParticleAnnotator2 >, T_Name_annotator_for_pseudo_atoms< SetAnnotatedName >, T_Name_annotator_for_atoms< SetAnnotatedName >, T_Generic_annotator_without_file< AnnotationType, SetAnnotation, GetInstanceName >, T_Generic_annotator< KeyType, AnnotationType, MakeKey, SetAnnotation, GetOptionName, GetOptionHelp, GetOptionDisplayName >, Space_filling_model_loader, Conformations_loader, T_Dynamic_annotator_for_residues< SetDynamicAnnotation >, T_Dynamic_annotator_for_atoms< SetDynamicAnnotation >, T_Domain_annotator_for_particles< Annotations >, T_Conformations_file_loader< ConformationType, ConformationBuilder, ESBTLMolecularSystem, PDBLineFormat >, Tripeptide_constraints_loader_from_pdb, T_Transition_graph_loader< InputArchive, TransitionGraphTraits >, T_Transition_graph_loader< boost::archive::xml_iarchive, typename Traits::Transition_graph_traits >, T_Protein_representation_loader< ProteinRepresentation, MolecularCovalentStructureBuilder, PDBLineFormat >, T_Primitive_labels_loader< PartnerLabelsTraits, MediatorLabelsTraits, ExtraLabelsTraits >, T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >, T_Potential_energy_parameters< CovalentStructure, UnitSystemTraits, FT >, T_Numbers_file_loader< FT, Tag >, T_Molecular_covalent_structure_loader_from_PDB< ParticleTraits, MolecularCovalentStructure, MolecularCovalentStructureBuilder, PDBLineFormat >, T_Molecular_covalent_structure_loader_from_MOL< MolecularCovalentStructure >, T_Graph_loader< Graph >, T_Clustering_loader< Graph, Clustering >, T_Clustering_loader< Graph, Clustering >, T_Archive_file_loader< InputArchive, SerializedData >, T_Archive_file_loader< boost::archive::xml_iarchive, typename Traits::Atom_shelling_forest >, Internal_cartesian_file_converter, T_Pairwise_structural_alignment_module< ModuleTraits, AlignmentEngine >, T_Iterative_alignment_module< ModuleTraits >, T_Filtration_graph_module< ModuleTraits, GraphBuilder >, T_Subdomain_comparator_module< ModuleTraits >, T_RMSD_comb_edge_weighted_module< ModuleTraits >, T_Morse_theory_based_analyzer_for_NNG_module< ModuleTraits >, T_Cluster_engine_module< ModuleTraits >, T_Alignment_structures_module< ModuleTraits, AlignmentEngineStructures >, T_Alignment_structures_module< ModuleTraits, ModuleTraits::Iterative_aligner_engine >, T_Alignment_structures_module< ModuleTraits, AlignmentEngine >, and T_Alignment_sequences_module< ModuleTraits, AlignmentEngineSequences >.

check_filesystem_directory_exists()

void check_filesystem_directory_exists ( const std::string &  output_prefix )

inlineinherited

To avoid later crash: check filesystem / existence of directory / directory exists.

check_options()

bool check_options ( std::string &  message ) const

inlinevirtualinherited

Checks that the input options' values are coherent.

Reimplemented from T_Module_option_description< Dummy >.

clone()

Self_* clone ( const Self_ *  s ) const

inlineinherited

Clones the object using the copy constructor.

delete_options()

static void delete_options ( void  )

inlinestaticinherited

get_loader() [1/2]

IO::Loader_base & get_loader ( unsigned  i )

inlineinherited

get_loader() [2/2]

const IO::Loader_base & get_loader ( unsigned  i ) const

inlineinherited

get_module()

Module_base & get_module ( Vertex  u )

inlineinherited

get_module_instance_name()

const std::string& get_module_instance_name ( void  ) const

inlineinherited

Get the name of this instance of this module.

get_name()

std::string get_name ( void  ) const

inlinevirtualinherited

Returns the name of the package.

Reimplemented from Module_base.

get_number_of_loaders()

unsigned get_number_of_loaders ( void  ) const

inlineinherited

get_options()

static boost::program_options::options_description*& get_options ( void  )

inlinestaticinherited

Access to the options' description of the module.

get_output_prefix()

std::string get_output_prefix ( void  ) const

inlinevirtualinherited

Returns a prefix that concatains the input line options used when running the module.

Reimplemented from T_Module_option_description< Dummy >.

get_report_at_end()

bool get_report_at_end ( void  ) const

inlineinherited

get_report_mode()

const std::ios_base::openmode get_report_mode ( void  ) const

inlineinherited

Get the report mode to be used when reporting.

get_start_vertex()

T_Module_based_workflow< Dummy >::Vertex get_start_vertex ( void  ) const

inlineinherited

has_options()

static bool has_options ( void  )

inlinestaticinherited

initialize_options()

static void initialize_options ( const std::string &  caption )

inlinestaticinherited

is_condition_module()

virtual bool is_condition_module ( void  ) const

inlineprotectedvirtualinherited

Checks that this module defines a condition operator.

is_logical_module()

virtual bool is_logical_module ( void  ) const

inlineprotectedvirtualinherited

Checks that this module defines a logical operator.

is_modules_collection()

virtual bool is_modules_collection ( void  ) const

inlineprotectedvirtualinherited

Checks that this module defines a collection of modules.

is_runnable()

bool is_runnable ( void  ) const

inlinevirtualinherited

Checks that all the input options were set.

Reimplemented from Module_base.

is_valid_workflow()

bool is_valid_workflow ( unsigned  verbose, std::ostream &  out  ) const

inlineinherited

Check the following properties : – the workflow is connected – each module that is not logical or condition has exactly one input – each logical operator has exactly two input – each condition operator has exactly one input and one to two output

load() [1/2]

void load ( std::size_t  i )

inlineinherited

Load the data using the loaders.

load() [2/2]

void load ( void  )

inlineinherited

Load the data using the loaders.

log()

std::ostream & log ( void  )

inlineinherited

Stream for the standard output, that can be either the shell or a file.

make_condition() [1/2]

void make_condition ( Vertex  u, const Predicate &  P, Vertex  v, const UpdateIfTrue &  update_true, const std::string &  predicate_name, const std::string &  update_name = ""  )

inlineinherited

Make a condition module with exactly one possible outflow, and a predicate for checking if it is followed.

make_condition() [2/2]

void make_condition ( Vertex  u, const Predicate &  P, Vertex  v, const UpdateIfTrue &  update_true, Vertex  w, const UpdateIfFalse &  update_false, const std::string &  predicate_name, const std::string &  update_name = ""  )

inlineinherited

Make a condition module with exactly two possible outflows, and a predicate for checking which one to follow.

make_conjunction()

T_Module_based_workflow< Dummy >::Vertex make_conjunction ( Vertex  u, Vertex  v  )

inlineinherited

Make a module that is the conjunction of the two input modules.

make_module_flow()

void make_module_flow ( Vertex  u, Vertex  v, const Transformer &  join, const std::string &  name = ""  )

inlineinherited

Connect the modules represented by the vertices u (source output) and v (target input); if any output data from u should be passed to the input data of v, it is done through the join functor; the optional name is displayed over the edge of the graph when printing the workflow.

make_optional_module()

void make_optional_module ( Vertex  u, const std::string &  option_name, const std::string &  option_helper  )

inlineinherited

Registers a module with an input: note that modules are executed in a FIFO manner.

make_start_condition() [1/2]

void make_start_condition ( const Predicate &  P, Vertex  v, const UpdateIfTrue &  update_true, const std::string &  predicate_name, const std::string &  update_name = ""  )

inlineinherited

Make a condition module with exactly one possible outflow, and a predicate for checking if it is followed.

make_start_condition() [2/2]

void make_start_condition ( const Predicate &  P, Vertex  v, const UpdateIfTrue &  update_true, Vertex  w, const UpdateIfFalse &  update_false, const std::string &  predicate_name, const std::string &  update_name = ""  )

inlineinherited

Make a condition module with exactly two possible outflows, and a predicate for checking which one to follow.

operator()()

virtual bool operator() ( void  )

inlineprotectedvirtualinherited

Only for condition modules, for returning the predicate value.

parse_command_line()

void parse_command_line ( int  argc, char *  argv[]  )

inlineinherited

Parses the command line options and store the values of the options: the check_options method is called for all loaders and all modules.

register_module() [1/2]

T_Module_based_workflow< Dummy >::Vertex register_module ( const std::string &  name = "" )

inlineinherited

Registers a module with an input: note that modules are executed in a FIFO manner.

register_module() [2/2]

T_Module_based_workflow< Dummy >::Vertex register_module ( Module_base &  module, const std::string &  name = ""  )

inlineinherited

Registers a module without any input: note that modules are executed in a FIFO manner.

report()

void report ( const std::string &  output_prefix )

inlinevirtualinherited

Reports the output and statistics in output files.

Reimplemented from Module_base.

run()

void run ( unsigned  verbose, std::ostream &  out  )

inlinevirtualinherited

Runs the module following the input options.

Implements Module_base.

set_end_module()

void set_end_module ( Vertex  u )

inlineinherited

The results of all modules connected to the end vertex are reported.

set_module_instance_name()

void set_module_instance_name ( const std::string &  module_instance_name )

inlineinherited

Sets a name for this instance of this module. In particular, it will be used in the prefix of output files generated by a collection of modules.

set_report_mode() [1/2]

void set_report_mode ( std::ios_base::openmode &  report_mode )

inlineinherited

Set a report mode, that is open or append modes.

set_report_mode() [2/2]

void set_report_mode ( std::ios_base::openmode  report_mode )

inlineinherited

Set a report mode, that is open or append modes.

set_start_module()

void set_start_module ( Vertex  u )

inlineinherited

Modules connected to the start vertex will be first executed; in case of multiple vertices, the modules are executed in an arbitrary order.

start()

void start ( void  )

inlineinherited

Runs the application by pushing into the stack the Start vertex.

statistics()

void statistics ( std::ostream &  out )

inlinevirtualinherited

Reports high-level statistics on the module.

Reimplemented from Module_base.

verbose()

unsigned verbose ( void  ) const

inlineinherited

Return the verbosity level for the workflow : 0 (no output), 1 (output during the run), 2 (output during the statistics) or 3 (all output).