/// Determines the Hermann-Mauguin symbol of the rotation-, rotoinversion- or
/// screw-axis.
std::string SymmetryElementRotationGenerator::determineSymbol(
const SymmetryOperation &operation) const {
const Kernel::IntMatrix &matrix = operation.matrix();
int trace = matrix.Trace();
int determinant = matrix.determinant();
if (trace == 0 && determinant == -1) {
return "-3";
}
std::string symbol;
if (determinant < 0) {
symbol += "-";
}
symbol += boost::lexical_cast<std::string>(operation.order());
int translation =
static_cast<int>(static_cast<double>(operation.order()) *
Kernel::V3D(determineTranslation(operation)).norm());
if (translation != 0) {
symbol += boost::lexical_cast<std::string>(translation);
}
return symbol;
}
/// Returns a vector with all symmetry operations that are part of the cyclic
/// group defined by the generating operation.
std::vector<SymmetryOperation>
CyclicGroup::generateAllOperations(const SymmetryOperation &operation) const {
std::vector<SymmetryOperation> symOps(1, operation);
symOps.reserve(operation.order());
for (size_t i = 1; i < operation.order(); ++i) {
symOps.push_back(operation * symOps.back());
}
return symOps;
}