rotateMap.cpp

//============================================ ProSHADE
#include "../proshade/ProSHADE.h"

//============================================ Main
int main ( int argc,
           char **argv )
{
    //======================================== Default settings
    ProSHADE::ProSHADE_settings* setUp        = new ProSHADE::ProSHADE_settings ( );
    
    // ... Settings regarding resolutions
    setUp->mapResolution                      = 1.0;
        
    // ... Settings regarding space around the structure in lattice
    setUp->extraSpace                         = 0.0;
    
    // ... Settings regarding rotation module, these should to be set this way!
    setUp->clearMapData                       = false;
    setUp->useCOM                             = false;
    setUp->rotChangeDefault                   = true;
    setUp->ignoreLs                           = std::vector<int> ();
    setUp->maskBlurFactor                     = 500.0;
    setUp->maskBlurFactorGiven                = false;

    
    // ... Settings regarding the task
    setUp->taskToPerform                      = ProSHADE::RotateMap;
    
    // ... Settings regarding where and if to save the clear map
    setUp->clearMapFile                       = "";
    
    // ... Settings regarding the map rotation mode
    setUp->rotAngle                           = 0.0;
    setUp->rotXAxis                           = 0.0;
    setUp->rotYAxis                           = 0.0;
    setUp->rotZAxis                           = 0.0;
    
    // ... Settings regarding the map saving mode
    setUp->axisOrder                          = "xyz";
    
    // ... Settings regarding the standard output amount
    setUp->verbose                            = -1;
    setUp->htmlReport                         = false;
    
    //======================================== Get files
    if ( argc != 7 )
    {
        std::cout << std::endl << "Usage: rotateMap [filename1] [filename2] [xAxis] [yAxis] [zAxis] [angle] to rotate [filename1] by [angle] along the rotation axis ( [xAxis], [yAxis], [zAxis] ) and save the resulting map in [filename2]." << std::endl << std::endl;
        exit ( 0 );
    }
    else
    {
        setUp->structFiles.emplace_back       ( std::string ( argv[1] ) );
        setUp->clearMapFile                   = ( std::string ( argv[2] ) );
        setUp->rotXAxis                       = std::stod ( argv[3] );
        setUp->rotYAxis                       = std::stod ( argv[4] );
        setUp->rotZAxis                       = std::stod ( argv[5] );
        setUp->rotAngle                       = std::stod ( argv[6] );
    }

    //======================================== Run ProSHADE
    ProSHADE::ProSHADE *run                   = new ProSHADE::ProSHADE ( setUp );
    
    //======================================== Print results
    printf ( "ProSHADE library version: %s\n\n", run->getProSHADEVersion().c_str() );
    
    //======================================== Free memory
    delete setUp;
    delete run;

    //======================================== Done
    return 0;
}