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;
}