main.cpp

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#include <iostream>
#include <fstream>
#include <cmath>
#include <ctime>
#include <cstdlib>
#include <cassert>
 
#include "mcnpmit.hpp"
 
#include "moab/CartVect.hpp"
#include "moab/Core.hpp"
#include "MBTagConventions.hpp"
#include "moab/AdaptiveKDTree.hpp"
#include "moab/GeomUtil.hpp"
#include "moab/FileOptions.hpp"
#include "../tools/mbcoupler/ElemUtil.hpp"
 
#define MBI mb_instance()
 
McnpData* mc_instance();
moab::Interface* mb_instance();
MCNPError read_files( int, char** );
MCNPError next_double( std::string, double&, int& );
MCNPError next_int( std::string, int&, int& );
 
moab::Tag coord_tag, rotation_tag, cfd_heating_tag, cfd_error_tag;
 
std::string h5m_filename;
std::string CAD_filename;
std::string output_filename;
 
bool skip_build = false;
bool read_qnv   = false;
 
clock_t start_time, load_time, build_time, interp_time;
 
int main( int argc, char** argv )
{
    MCNPError result;
 
    start_time = clock();
 
    // Read in file names from command line
    result = read_files( argc, argv );
    if( result == MCNP_FAILURE ) return 1;
 
    result = MCNP->initialize_tags();
 
    // Parse the MCNP input file
    if( !skip_build )
    {
 
        result = MCNP->read_mcnpfile( skip_build );
        if( result == MCNP_FAILURE )
        {
            std::cout << "Failure reading MCNP file!" << std::endl;
            return 1;
        }
    }
 
    load_time = clock() - start_time;
 
    // Make the KD-Tree
    moab::ErrorCode MBresult;
    moab::AdaptiveKDTree kdtree( MBI );
    moab::EntityHandle root;
 
    MBI->tag_get_handle( "CoordTag", 1, moab::MB_TYPE_INTEGER, coord_tag, moab::MB_TAG_DENSE | moab::MB_TAG_CREAT );
    MBI->tag_get_handle( "RotationTag", 16, moab::MB_TYPE_DOUBLE, rotation_tag,
                         moab::MB_TAG_DENSE | moab::MB_TAG_CREAT );
 
    if( skip_build )
    {
        MBresult = MBI->load_mesh( h5m_filename.c_str() );
 
        if( moab::MB_SUCCESS == MBresult )
        {
            std::cout << std::endl << "Read in mesh from h5m file." << std::endl << std::endl;
            std::cout << "Querying mesh file..." << std::endl;
        }
        else
        {
            std::cout << "Failure reading h5m file!" << std::endl;
            std::cerr << "Error code: " << MBI->get_error_string( MBresult ) << " (" << MBresult << ")" << std::endl;
            std::string message;
            if( moab::MB_SUCCESS == MBI->get_last_error( message ) && !message.empty() )
                std::cerr << "Error message: " << message << std::endl;
            return 1;
        }
 
        moab::Range tmprange;
        kdtree.find_all_trees( tmprange );
        root = tmprange[0];
    }
    else
    {
        std::cout << "Building KD-Tree..." << std::endl;
        moab::FileOptions opts( "CANDIDATE_PLANE_SET=SUBDIVISION" );
        MBresult = kdtree.build_tree( MCNP->elem_handles, &root, &opts );
        if( MBresult == moab::MB_SUCCESS )
        {
 
            MBI->tag_set_data( coord_tag, &root, 1, &( MCNP->coord_system ) );
            MBI->tag_set_data( rotation_tag, &root, 1, &( MCNP->rotation_matrix ) );
 
            std::cout << "KD-Tree has been built successfully!" << std::endl << std::endl;
            MBresult = MBI->write_mesh( ( MCNP->MCNP_filename + ".h5m" ).c_str() );
 
            std::cout << "Querying mesh file..." << std::endl;
        }
        else
        {
            std::cout << "Error building KD-Tree!" << std::endl << std::endl;
            std::cerr << "Error code: " << MBI->get_error_string( MBresult ) << " (" << MBresult << ")" << std::endl;
            std::string message;
            if( moab::MB_SUCCESS == MBI->get_last_error( message ) && !message.empty() )
                std::cerr << "Error message: " << message << std::endl;
            return 1;
        }
    }
 
    int coord_sys;
    double rmatrix[16];
 
    MBresult = MBI->tag_get_data( coord_tag, &root, 1, &coord_sys );
    MB_CHK_ERR( MBresult );
    MBresult = MBI->tag_get_data( rotation_tag, &root, 1, &rmatrix );
    MB_CHK_ERR( MBresult );
 
    build_time = clock() - load_time;
 
    // Read the CAD mesh data and query the tree
    std::ifstream cadfile;
    std::ofstream outfile;
 
    outfile.open( output_filename.c_str() );
 
    int num_pts;
    int n;
    long int nl = 0;
    char* ctmp;
    int elems_read = 0;
    int p          = 0;
    char line[10000];
 
    // Used only when reading a mesh file to get vertex info
    double* cfd_coords = NULL;
    moab::Range::iterator cfd_iter;
    moab::EntityHandle meshset;
 
    if( read_qnv )
    {
        cadfile.open( CAD_filename.c_str() );
        cadfile.getline( line, 10000 );
        cadfile.getline( line, 10000 );
        result = next_int( line, num_pts, p );
    }
    else
    {
 
        meshset  = 0;
        MBresult = MBI->load_file( CAD_filename.c_str(), &meshset );
        MB_CHK_ERR( MBresult );
        assert( 0 != meshset );
 
        moab::Range cfd_verts;
        MBresult = MBI->get_entities_by_type( meshset, moab::MBVERTEX, cfd_verts, true );
        MB_CHK_ERR( MBresult );
        num_pts = cfd_verts.size();
 
        cfd_coords = new double[3 * num_pts];
        MBresult   = MBI->get_coords( cfd_verts, cfd_coords );
        MB_CHK_ERR( MBresult );
 
        cfd_iter = cfd_verts.begin();
        MBresult = MBI->tag_get_handle( "heating_tag", 1, moab::MB_TYPE_DOUBLE, cfd_heating_tag,
                                        moab::MB_TAG_DENSE | moab::MB_TAG_CREAT );
        MB_CHK_ERR( MBresult );
        MBresult = MBI->tag_get_handle( "error_tag", 1, moab::MB_TYPE_DOUBLE, cfd_error_tag,
                                        moab::MB_TAG_DENSE | moab::MB_TAG_CREAT );
        MB_CHK_ERR( MBresult );
 
        std::cout << std::endl << "Read in mesh with query points." << std::endl << std::endl;
    }
 
    double testpt[3];
    double transformed_pt[3];
    double taldata;
    double errdata;
 
    moab::CartVect testvc;
 
    bool found = false;
 
    // MBRange verts;
    std::vector< moab::EntityHandle > verts;
    moab::Range range;
    moab::CartVect box_max, box_min;
 
    moab::CartVect hexverts[8];
    moab::CartVect tmp_cartvect;
    std::vector< double > coords;
 
    double tal_sum = 0.0, err_sum = 0.0, tal_sum_sqr = 0.0, err_sum_sqr = 0.0;
 
    //  double davg = 0.0;
    //  unsigned int    nmax = 0, nmin = 1000000000 ;
 
    for( unsigned int i = 0; i < (unsigned int)num_pts; i++ )
    {
 
        // if (i%status_freq == 0)
        //  std::cerr << "Completed " << i/status_freq << "%" << std::endl;
 
        // Grab the coordinates to query
        if( read_qnv )
        {
            cadfile.getline( line, 10000 );
 
            nl        = std::strtol( line, &ctmp, 10 );
            n         = (unsigned int)nl;
            testpt[0] = std::strtod( ctmp + 1, &ctmp );
            testpt[1] = std::strtod( ctmp + 1, &ctmp );
            testpt[2] = std::strtod( ctmp + 1, NULL );
        }
        else
        {
            testpt[0] = cfd_coords[3 * i];
            testpt[1] = cfd_coords[3 * i + 1];
            testpt[2] = cfd_coords[3 * i + 2];
            n         = i + 1;
        }
 
        result = MCNP->transform_point( testpt, transformed_pt, coord_sys, rmatrix );
 
        testvc[0] = transformed_pt[0];
        testvc[1] = transformed_pt[1];
        testvc[2] = transformed_pt[2];
 
        // Find the leaf containing the point
        moab::EntityHandle tree_node;
        MBresult = kdtree.point_search( transformed_pt, tree_node );
        if( moab::MB_SUCCESS != MBresult )
        {
            double x = 0.0, y = 0.0, z = 0.0;
            if( CARTESIAN == coord_sys )
            {
                x = testvc[0];
                y = testvc[1];
                z = testvc[2];
            }
            else if( CYLINDRICAL == coord_sys )
            {
                x = testvc[0] * cos( 2 * M_PI * testvc[2] );
                y = testvc[0] * sin( 2 * M_PI * testvc[2] );
                z = testvc[1];
            }
            else
            {
                std::cout << "MOAB WARNING: Unhandled error code during point search in KdTree, "
                             "ErrorCode = "
                          << MBresult << " and Coord xyz=" << x << " " << y << " " << z << std::endl;
            }
            std::cout << "No leaf found, MCNP coord xyz=" << x << " " << y << " " << z << std::endl;
            ++cfd_iter;
            continue;
        }
 
        range.clear();
        MBresult = MBI->get_entities_by_type( tree_node, moab::MBHEX, range );
        MB_CHK_ERR( MBresult );
 
        // davg += (double) range.size();
        // if (range.size() > nmax) nmax = range.size();
        // if (range.size() < nmin) nmin = range.size();
 
        for( moab::Range::iterator rit = range.begin(); rit != range.end(); ++rit )
        {
            verts.clear();
            const moab::EntityHandle* connect;
            int num_connect;
            MBresult = MBI->get_connectivity( *rit, connect, num_connect, true );
            MB_CHK_ERR( MBresult );
 
            coords.resize( 3 * num_connect );
            MBresult = MBI->get_coords( connect, num_connect, &coords[0] );
            MB_CHK_ERR( MBresult );
 
            for( unsigned int j = 0; j < (unsigned int)num_connect; j++ )
            {
                hexverts[j][0] = coords[3 * j];
                hexverts[j][1] = coords[3 * j + 1];
                hexverts[j][2] = coords[3 * j + 2];
            }
 
            if( moab::ElemUtil::point_in_trilinear_hex( hexverts, testvc, 1.e-6 ) )
            {
                MBresult = MBI->tag_get_data( MCNP->tally_tag, &( *rit ), 1, &taldata );
                MB_CHK_ERR( MBresult );
                MBresult = MBI->tag_get_data( MCNP->relerr_tag, &( *rit ), 1, &errdata );
                MB_CHK_ERR( MBresult );
 
                outfile << n << "," << testpt[0] << "," << testpt[1] << "," << testpt[2] << "," << taldata << ","
                        << errdata << std::endl;
 
                if( !read_qnv )
                {
                    MBresult = MBI->tag_set_data( cfd_heating_tag, &( *cfd_iter ), 1, &taldata );
                    MB_CHK_ERR( MBresult );
                    MBresult = MBI->tag_set_data( cfd_error_tag, &( *cfd_iter ), 1, &errdata );
                    MB_CHK_ERR( MBresult );
                }
 
                found = true;
                elems_read++;
 
                tal_sum     = tal_sum + taldata;
                err_sum     = err_sum + errdata;
                tal_sum_sqr = tal_sum_sqr + taldata * taldata;
                err_sum_sqr = err_sum_sqr + errdata * errdata;
 
                break;
            }
        }
 
        if( !read_qnv ) ++cfd_iter;
 
        if( !found )
        {
            std::cout << n << " " << testvc << std::endl;
        }
        found = false;
    }
 
    cadfile.close();
    outfile.close();
 
    if( result == MCNP_SUCCESS )
    {
        std::cout << "Success! " << elems_read << " elements interpolated." << std::endl << std::endl;
    }
    else
    {
        std::cout << "Failure during query! " << elems_read << " elements interpolated." << std::endl << std::endl;
    }
 
    double tal_std_dev = sqrt( ( 1.0 / elems_read ) * ( tal_sum_sqr - ( 1.0 / elems_read ) * tal_sum * tal_sum ) );
    double err_std_dev = sqrt( ( 1.0 / elems_read ) * ( err_sum_sqr - ( 1.0 / elems_read ) * err_sum * err_sum ) );
 
    std::cout << "Tally Mean:               " << tal_sum / elems_read << std::endl;
    std::cout << "Tally Standard Deviation: " << tal_std_dev << std::endl;
    std::cout << "Error Mean:               " << err_sum / elems_read << std::endl;
    std::cout << "Error Standard Deviation: " << err_std_dev << std::endl;
 
    interp_time = clock() - build_time;
 
    if( !read_qnv )
    {
        std::string out_mesh_fname = output_filename;
        MBresult                   = MBI->write_mesh( ( out_mesh_fname + ".h5m" ).c_str(), &meshset, 1 );
        // MBresult = MBI->write_file( (cfd_mesh_fname + ".vtk").c_str(), "vtk", NULL, &meshset, 1,
        // &cfd_heating_tag, 1);
    }
 
    std::cout << "Time to read in file:     " << (double)load_time / CLOCKS_PER_SEC << std::endl;
    std::cout << "Time to build kd-tree:    " << (double)build_time / CLOCKS_PER_SEC << std::endl;
    std::cout << "Time to interpolate data: " << (double)interp_time / CLOCKS_PER_SEC << std::endl;
 
    return 0;
}
 
MCNPError read_files( int argc, char** argv )
{
    MCNPError result = MCNP_FAILURE;
 
    // Check to see if appropriate command lines specified
    if( argc < 3 )
    {
        std::cout << "Source and Target mesh filenames NOT specified!";
        std::cout << std::endl;
        return MCNP_FAILURE;
    }
 
    // Set the MCNP or H5M filename
    std::string str;
    str = argv[1];
 
    unsigned int itmp = str.find( ".h5m" );
    if( ( itmp > 0 ) && ( itmp < str.length() ) )
    {
        skip_build   = true;
        h5m_filename = str;
    }
    else
    {
        result = MCNP->set_filename( str );
    }
 
    // Set the CAD filename
    str          = argv[2];
    CAD_filename = str;
 
    itmp = str.find( ".qnv" );
    if( ( itmp > 0 ) && ( itmp < str.length() ) ) read_qnv = true;
 
    // Set the output filename
    str             = argv[3];
    output_filename = str;
 
    return result;
}
 
MCNPError next_double( std::string s, double& d, int& p )
{
 
    unsigned int slen = s.length();
    unsigned int j;
 
    for( unsigned int i = p; i < slen; i++ )
    {
        if( ( ( s[i] >= 48 ) && ( s[i] <= 57 ) ) || ( s[i] == 45 ) )
        {
 
            j = s.find( ",", i );
            if( j > slen ) j = slen;
 
            d = std::atof( s.substr( i, j - i ).c_str() );
            p = j + 1;
 
            return MCNP_SUCCESS;
        }
    }
 
    return DONE;
}
 
MCNPError next_int( std::string s, int& k, int& p )
{
 
    unsigned int slen = s.length();
    unsigned int j;
 
    for( unsigned int i = p; i < slen; i++ )
    {
        if( ( ( s[i] >= 48 ) && ( s[i] <= 57 ) ) || ( s[i] == 45 ) )
        {
 
            j = s.find( ",", i );
            if( j > slen ) j = slen;
 
            k = std::atoi( s.substr( i, j - i ).c_str() );
            p = j + 1;
 
            return MCNP_SUCCESS;
        }
    }
 
    return DONE;
}
 
McnpData* mc_instance()
{
    static McnpData inst;
    return &inst;
}
 
moab::Interface* mb_instance()
{
    static moab::Core inst;
    return &inst;
}