Rosetta 3.4
Public Types | Public Member Functions
protocols::optimize_weights::IterativeOptEDriver Class Reference

#include <IterativeOptEDriver.hh>

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List of all members.

Public Types

typedef core::Real Real
typedef core::Size Size
typedef core::scoring::ScoreTypes ScoreTypes
typedef core::scoring::EnergyMap EnergyMap

Public Member Functions

 IterativeOptEDriver ()
 Main constructor for the IterativeOptEDriver class. Note that mpi_rank and mpi_nprocs get set even if USEMPI is not defined. These values are then used to set MPI_rank_ and MPI_nprocs_. Also calls the initialize_free_and_fixed_terms method.
 ~IterativeOptEDriver ()
void task_factory (core::pack::task::TaskFactoryCOP)
 take care when using a custom TaskFactory: TaskOperations must not 'accumulate state' as they will be reused repeatedly
void go ()
 Main loop for the optE protocol. This is function the apps call to do optE.

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::optimize_weights::IterativeOptEDriver::IterativeOptEDriver ( )

Main constructor for the IterativeOptEDriver class. Note that mpi_rank and mpi_nprocs get set even if USEMPI is not defined. These values are then used to set MPI_rank_ and MPI_nprocs_. Also calls the initialize_free_and_fixed_terms method.

IterativeOptEDriver::IterativeOptEDriver()

References protocols::optimize_weights::load_component_weights(), protocols::wum::mpi_rank(), core::scoring::name_from_score_type(), core::chemical::num_canonical_aas, and protocols::optimize_weights::TR().

protocols::optimize_weights::IterativeOptEDriver::~IterativeOptEDriver ( )

Member Function Documentation

void protocols::optimize_weights::IterativeOptEDriver::go ( )

Main loop for the optE protocol. This is function the apps call to do optE.

IterativeOptEDriver::go()

References protocols::optimize_weights::TR().

void protocols::optimize_weights::IterativeOptEDriver::task_factory ( core::pack::task::TaskFactoryCOP  tf)

take care when using a custom TaskFactory: TaskOperations must not 'accumulate state' as they will be reused repeatedly


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