StepWisePoseCombineSampleGenerator.cc

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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 StepWisePoseCombineSampleGenerator
/// @brief Subclass of StepWisePoseSampleGenerator
/// @detailed
/// @author Rhiju Das


//////////////////////////////////
#include <protocols/swa/StepWisePoseCombineSampleGenerator.hh>
#include <protocols/swa/StepWisePoseSetup.hh>
#include <protocols/swa/InputStreamWithResidueInfo.hh>
#include <core/types.hh>
// AUTO-REMOVED #include <core/pose/Pose.hh>
#include <utility/exit.hh>
// AUTO-REMOVED #include <ObjexxFCL/string.functions.hh>

//Auto Headers
#include <utility/vector1.hh>

using namespace core;

namespace protocols {
namespace swa {

  //////////////////////////////////////////////////////////////////////////
  //constructor!
  StepWisePoseCombineSampleGenerator::StepWisePoseCombineSampleGenerator(
                                                                         utility::vector1< InputStreamWithResidueInfoOP > const & input_streams ):
    input_streams_( input_streams ),
    need_to_initialize_( true )
  {
    if ( input_streams_.size() != 2 ) utility_exit_with_message( "PoseCombineSampleGenerator needs two sources of input!" );
    reset();
  }

  StepWisePoseCombineSampleGenerator::StepWisePoseCombineSampleGenerator(
         utility::vector1< InputStreamWithResidueInfoOP > const & input_streams,
         StepWisePoseSetupOP stepwise_pose_setup ):
    input_streams_( input_streams ),
    need_to_initialize_( true ),
    stepwise_pose_setup_( stepwise_pose_setup )
  {
    if ( input_streams_.size() != 2 ) utility_exit_with_message( "PoseCombineSampleGenerator needs two sources of input!" );
    reset();
  }

  //////////////////////////////////////////////////////////////////////////
  void
  StepWisePoseCombineSampleGenerator::reset(){
    input_streams_[ 1 ]->reset();
    input_streams_[ 2 ]->reset();
    need_to_initialize_ = true;
  }

  //////////////////////////////////////////////////////////////////////////
  bool
  StepWisePoseCombineSampleGenerator::has_another_sample(){
   return ( input_streams_[ 1 ]->has_another_pose() ||
            input_streams_[ 2 ]->has_another_pose() );
  }

  //////////////////////////////////////////////////////////////////////////
  void
  StepWisePoseCombineSampleGenerator::get_next_sample( core::pose::Pose & pose )
  {


    ////////////////////////////////////////////////////////////
    if( input_streams_[ 2 ]->has_another_pose() ) {

      // This logic doesn't seem totally robust:
      if ( need_to_initialize_ ){
        input_streams_[ 1 ]->copy_next_pose_segment( pose );
        need_to_initialize_ = false;
      }

      input_streams_[ 2 ]->copy_next_pose_segment( pose );

    } else {

      if ( !input_streams_[ 1 ]->has_another_pose() ) utility_exit_with_message( "Asked PoseCombineSampleGenerator for another sample, but it did not have one!" );

      input_streams_[ 2 ]->reset();

      input_streams_[ 1 ]->copy_next_pose_segment( pose );
      input_streams_[ 2 ]->copy_next_pose_segment( pose );

    }

    // This is annoying but necessary:
    if ( stepwise_pose_setup_ && stepwise_pose_setup_->ready_to_align() ){
      //      std::cout << "ALIGNING POSE! " << std::endl;
      stepwise_pose_setup_->align_pose( pose );
      //      static Size count( 0 );
      //      pose.dump_pdb( "blah_"+ObjexxFCL::string_of( count++ )+".pdb");
    }

  }

  ///////////////////////////////////////////////////////
  Size
  StepWisePoseCombineSampleGenerator::size() const{
    //we don't know a priori how many combinations there will be...
    // yes, I guess we could precompute this by looking through both streams ahead of time.
    return 0;
  }


  ///////////////////////////////////////////////////////
  void
  StepWisePoseCombineSampleGenerator::set_stepwise_pose_setup( StepWisePoseSetupOP stepwise_pose_setup ){
    stepwise_pose_setup_ = stepwise_pose_setup;
  }

}
}