structureUtils.h

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#ifndef STRUCTUREUTILS_H
#define STRUCTUREUTILS_H
 
#include <memory>
 
#include <xyz.h>
#include <config.h>
 
void readStructureFile
(
    std::filesystem::path path,
    std::unique_ptr<Structure> & structure,
    bool blocking = false
)
{
    if (!ostensiblyXYZLike(path))
    {
        if (!ostensiblyCONFIGLike(path))
        {
            std::cout << path << " does not appear to refer to an [EXT]XYZ or CONFIG-like\n";
        }
        try
        {
            structure = std::make_unique<CONFIG>(path, blocking);
        }
        catch (std::runtime_error & e)
        {
            std::cout << "Could not parse "
                      << path
                      << " as a CONFIG-like:\n"
                      << e.what() << "\n Trying [EXT]XYZ\n";
            structure = std::make_unique<XYZ>(path, blocking);
        }
    }
    else
    {
        try
        {
            structure = std::make_unique<XYZ>(path, blocking);
        }
        catch (std::runtime_error & e)
        {
            std::cout << "Could not parse "
                      << path
                      << " as an [EXT]XYZ:\n"
                      << e.what() << "\n Trying CONFIG-like\n";
            structure = std::make_unique<CONFIG>(path, blocking);
        }
    }
}
 
#endif /* STRUCTUREUTILS_H */