int main()
{
std::cout << "Doghouse " << std::endl;
DogHouse fidos(Dog::make("Fido"), "FidoHouse");
DogHouse spots(Dog::make("spot"), "SpotHouse");
std::cout << " Entering copy-constuction" << std::endl;
DogHouse bobs(fidos);
std::cout << " After copy-cnstruction bobs" << std::endl;
std::cout << "fidos::" << fidos << std::endl;
std::cout << "spots:" << spots << std::endl;
std::cout << "bobs::" << bobs << std::endl;
std::cout << " Entering spots = fidos " << std::endl;
spots = fidos;
std::cout << "fidos::" << fidos << std::endl;
std::cout << "spots:" << spots << std::endl;
std::cout << "bobs::" << bobs << std::endl;
std::cout << " Entering self assignment " << std::endl;
bobs = bobs;
std::cout << " bobs:" << bobs << std::endl;
Dog* dog = Dog::make("timmy");
std::cout << *dog << std::endl;
}
void ds::ReflectionData::spread_data()
{
std::cout << "Spreading the data in Fourier space.. \n";
std::cout << "Current spots: " << spots() << "\n";
MillerToPeakMultiMap spreaded_raw;
for(const_iterator ref=this->begin(); ref!=this->end(); ++ref)
{
MillerIndex index_in = (*ref).first;
PeakData spot_in = (*ref).second;
//Insert this spot
spreaded_raw.insert(MillerToPeakPair(index_in, spot_in));
//Spread this spot to neighbors if not present
for(int ih=-2; ih<=2; ih++)
{
for(int ik=-2; ik<=2; ik++)
{
for(int il=-2; il<=2; il++)
{
MillerIndex new_index = MillerIndex(index_in.h()+ih, index_in.k()+ik, index_in.l()+il);
if(!exists(new_index.h(), new_index.k(), new_index.l()))
{
double distance_square = il*il + ik*ik + ih*ih;
//1.6 is to make the integral of exponential 1
double weight = exp(-1.6*distance_square);
spreaded_raw.insert(MillerToPeakPair(new_index, spot_in*weight));
}
}
}
}
}
MillerToPeakMap spreaded_map;
tdx::utilities::fourier_utilities::average_peaks(spreaded_raw, spreaded_map);
_data.clear();
_data.insert(spreaded_map.begin(), spreaded_map.end());
std::cout << "Spots after spread: " << spots() << "\n";
}
void ds::ReflectionData::replace_reflections(const ReflectionData& input, double cone_angle, double replacement_amplitude_cutoff)
{
std::cout << "Replacing reflection and keeping the new ones in a cone of angle: " << cone_angle <<"\n";
ReflectionData new_data;
if(cone_angle < 0.0 || cone_angle > 90)
{
std::cerr << "Error: Bad value encountered in cone_angle: " << std::to_string(cone_angle) << " (min 0 and max 90)\n";
return;
}
double cone_angle_rad = double(cone_angle)*M_PI/180;
//Iterate over all possible miller indices h, k, l in input data
for(const_iterator ref=input.begin(); ref!=input.end(); ++ref)
{
//Assign the current Miller Index to the array
ds::MillerIndex index = (*ref).first;
tdx::Complex current_complex = (*ref).second.value();
if(current_complex.amplitude() > replacement_amplitude_cutoff)
{
new_data.set_spot_at(index.h(), index.k(), index.l(), current_complex, (*ref).second.weight() );
}
}
//Iterate over all the current reflections
for(const_iterator ref=this->begin(); ref!=this->end(); ++ref)
{
//Assign the current Miller Index to the array
ds::MillerIndex index = (*ref).first;
tdx::Complex current_complex = (*ref).second.value();
double radius = std::abs(index.l()*tan(cone_angle_rad));
double distance = sqrt(index.h()*index.h() + index.k()*index.k());
if(current_complex.amplitude() > replacement_amplitude_cutoff && !new_data.exists(index.h(), index.k(), index.l()) && distance < radius)
{
new_data.set_spot_at(index.h(), index.k(), index.l(), current_complex, (*ref).second.weight() );
}
}
std::cout << "Current spots " << spots() << " were replaced with: " << new_data.spots() << " (Input had " << input.spots() << " spots)\n";
reset(new_data);
}
