Gemmi C++ API
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#include <math.hpp>
Public Member Functions | |
std::array< T, 6 > | elements_pdb () const |
std::array< T, 6 > | elements_voigt () const |
Mat33 | as_mat33 () const |
T | trace () const |
bool | nonzero () const |
bool | all_zero () const |
void | scale (T s) const |
template<typename Real > | |
SMat33< Real > | scaled (Real s) const |
SMat33< T > | added_kI (T k) const |
template<typename VT > | |
auto | r_u_r (const Vec3_< VT > &r) const -> decltype(r.x+u11) |
double | r_u_r (const std::array< int, 3 > &h) const |
Vec3 | multiply (const Vec3 &p) const |
SMat33 | operator- (const SMat33 &o) const |
SMat33 | operator+ (const SMat33 &o) const |
template<typename Real = double> | |
SMat33< Real > | transformed_by (const Mat33 &m) const |
T | determinant () const |
SMat33 | inverse () const |
std::array< double, 3 > | calculate_eigenvalues () const |
Based on https://en.wikipedia.org/wiki/Eigenvalue_algorithm To calculate both eigenvalues and eigenvectors use eig3.hpp. | |
Public Attributes | |
T | u11 |
T | u22 |
T | u33 |
T | u12 |
T | u13 |
T | u23 |
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Based on https://en.wikipedia.org/wiki/Eigenvalue_algorithm To calculate both eigenvalues and eigenvectors use eig3.hpp.