PoseInfoFilter.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 sw=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 protocols/filters/PoseInfoFilter.cc
/// @brief Filter for looking at specific atom distances
/// @author Rocco Moretti (rmoretti@uw.edu)

#include <protocols/simple_filters/PoseInfoFilter.hh>
#include <protocols/simple_filters/PoseInfoFilterCreator.hh>

// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/pose/datacache/CacheableDataType.hh>

#include <basic/datacache/BasicDataCache.hh>
#include <utility/tag/Tag.hh>
#include <basic/Tracer.hh>


namespace protocols {
namespace simple_filters {

static basic::Tracer TR( "protocols.filters.PoseInfoFilter" );

///@brief default ctor
PoseInfoFilter::PoseInfoFilter() :
  parent( "PoseInfo" )
{}

/// @return Print pose information and return true
bool PoseInfoFilter::apply(core::pose::Pose const & pose ) const
{
  compute( pose );
  return true;
}

core::Real
PoseInfoFilter::compute( core::pose::Pose const & pose ) const
{
  report(TR, pose);
  return 1.0;
}

/// @return Print pose information and return true
core::Real
PoseInfoFilter::report_sm( core::pose::Pose const & pose ) const
{
  compute( pose );
  return( 1 );
}

void PoseInfoFilter::report( std::ostream & out, core::pose::Pose const & pose ) const
{
  out << "Pose Information: " << pose.total_residue() << " residues " << std::endl;
  pose.pdb_info()->show( out );

  out << pose.fold_tree(); // Has implicit internal std::endl;
  pose.fold_tree().show( out );

  {
    using core::pose::datacache::CacheableDataType;
    out << "Cached Data: ";
    core::pose::Pose::BasicDataCache const & datacache( pose.data() );
    for ( core::Size ii(1); ii <= CacheableDataType::num_cacheable_data_types; ++ii ) {
      if ( datacache.has( ii ) ) {
        // Just output name here, as each datatype needs to be treated differently
        // (Do it below, if necessary.)
        out << CacheableDataType::get_name( static_cast<CacheableDataType::Enum>( ii ) ) << " ";
      }
    }
    out << std::endl; // To flush the Cached data list.
  }

  // Feel free to add additional pose-related information.
  // The main reason I stopped where I did was I didn't necessarily know how to access relevant others.
}

void PoseInfoFilter::parse_my_tag( utility::tag::TagPtr const,
    protocols::moves::DataMap &,
    protocols::filters::Filters_map const &,
    protocols::moves::Movers_map const &,
    core::pose::Pose const & /*pose*/)
{
  // Right now we don't have any options to control, so don't bother doing anything.
}

protocols::filters::FilterOP
PoseInfoFilterCreator::create_filter() const { return new PoseInfoFilter; }

std::string
PoseInfoFilterCreator::keyname() const { return "PoseInfo"; }



} // filters
} // protocols