Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Energy_landscape_analysis_workflow< Traits > Class Template Reference


Generic workflow of Energy_landscape_analysis for reading the command line options of the applications and running the calculations.
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#include <Energy_landscape_analysis_workflow.hpp>

Public Types

typedef SBL::IO::T_Transition_graph_loader< boost::archive::xml_iarchive, typename Traits::Transition_graph_traits > Transition_graph_loader
 
Loader for one or more boost archive files
More...
 
typedef SBL::Modules::T_Energy_landscape_transition_graph_topology_module< Traits > Transition_graph_topology_module
 Module analyzingthe topology of a transition graph. More...
 
typedef SBL::Modules::T_Energy_landscape_transition_graph_landmarks_paths_module< Traits > Landmark_paths_module
 Module computing shortes paths in a graph passing through selected landmarks. More...
 
typedef SBL::Modules::T_Morse_theory_based_analyzer_for_NNG_module< Traits > MTB_analyzer_module
 
Generic manager for reading arguments of the program and run the calculations More...
 

Workflow

void start (int argc, char *argv[])
 Starts the workflow by reading the command line options, and pushing on the stack the start vertex. More...
 

Detailed Description

template<class Traits>
class T_Energy_landscape_analysis_workflow< Traits >


Generic workflow of Energy_landscape_analysis for reading the command line options of the applications and running the calculations.

This workflow instantiates one loader and three modules:

Member Typedef Documentation

◆ Landmark_paths_module

Module computing shortes paths in a graph passing through selected landmarks.

Module computing shortes paths in a graph passing through selected landmarks

Template Parameters
ModuleTraitsTraits class defining the type Transition_graph_traits defining types related to the transition graph, and the type Distance defining a functor returning the distance between two conformations.

◆ MTB_analyzer_module


Generic manager for reading arguments of the program and run the calculations

Template Parameters
ModuleTraitsModel of a traits class defining the types used in the manager (see T_Conformational_clustering_traits).

◆ Transition_graph_loader

typedef SBL::IO::T_Transition_graph_loader<boost::archive::xml_iarchive, typename Traits::Transition_graph_traits> Transition_graph_loader


Loader for one or more boost archive files

Template Parameters
Sphere3Representation of a 3D sphere.
Point3Representation of the center of a 3D sphere.

◆ Transition_graph_topology_module

Module analyzingthe topology of a transition graph.

Module analyzingthe topology of a transition graph

Template Parameters
ModuleTraitsTraits class defining the type Transition_graph_traits defining types related to the transition graph, and the type Distance defining a functor returning the distance between two conformations.

Member Function Documentation

◆ start()

void start ( int  argc,
char *  argv[] 
)
inline

Starts the workflow by reading the command line options, and pushing on the stack the start vertex.