pool_util.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file
/// @brief
/// @author

#ifndef INCLUDED_protocols_canonical_sampling_mc_convergence_checks_pool_util_hh
#define INCLUDED_protocols_canonical_sampling_mc_convergence_checks_pool_util_hh

#include <ObjexxFCL/FArray2D.hh>
#include <utility/vector1.hh>
#include <core/types.hh>

namespace protocols {
namespace canonical_sampling {
namespace mc_convergence_checks {

  typedef ObjexxFCL::FArray2D<double> FArray2D_double;
  typedef utility::vector1< core::Size > Address;

  struct DataBuffer {
  public:
    DataBuffer();

    ~DataBuffer();

    void
    setup( int num_slave_nodes, int nresidues, int nlevels );

    void
    address_to_buf( utility::vector1< core::Size > & address, int* buf, core::Size start_index );

    void
    buf_to_address( utility::vector1< core::Size > & address, int* buf, core::Size start_index );

    void
    farray_to_array( core::Size index,
                     FArray2D_double const& coords,
                     double* coord_buf );

    void
    farray_to_array( core::Size index,
                     core::Size num_to_add,
                     FArray2D_double const& coords,
                     double* coord_buf );

    void
    array_to_farray( core::Size index,
                     FArray2D_double & coords,
                     double* coord_buf );

    void
    array_to_farray( core::Size index,
                     core::Size num_to_add,
                     FArray2D_double & coords,
                     double* coord_buf);

    int* neighbor_addresses_;
    double* coords_transfer_buffer_;
    double* coords_receiving_buffer_;
    FArray2D_double coords_;
    FArray2D_double temp_coords_;
    core::Size num_new_neighbors_;
    int* memory_offset_;
    int* int_buf1_;
    int* winning_ranks_;
    //structures for dealing with neighbors
    FArray2D_double candidate_coords_;
    core::Size candidate_nbr_index_;
    core::Real candidate_best_rmsd_;
    double* candidate_best_rmsds_;
    Address candidate_address_;
    std::string winning_tag_;
    Address winning_address_;
    core::Size new_level_begins_;
    utility::vector1< core::Real > best_candidate_rmsds_;
    utility::vector1< bool > is_a_neighbor_;
    int* finished_;

  };



}
}
}

#endif