Template Class LQVec¶

Defined in File array_latvec.hpp

Inheritance Relationships¶

Base Types¶

public brille::LatVec (Class LatVec)
public brille::Array2< T > (Template Class Array2)

Class Documentation¶

template<class T> class brille::LQVec : public brille::LatVec, public brille::Array2<T>¶

3-vector(s) expressed in units of a Reciprocal lattice

By adding a Reciprocal lattice to a 3-element bArray this class represents one or more 3-vector in units of a reciprocal-space-spanning lattice.

Public Functions

LQVec(const Reciprocal &lat = Reciprocal())¶

template<typename ...Args> LQVec(const Reciprocal &lat, Args... args)¶

integer number of three-vector constructor (macroed as templates can’t be distinguished)

Fowarding constructor to let bArray deal with everything else

template<class R> LQVec(const LQVec<R> &other)¶

Reciprocal get_lattice() const¶

Explicit copy constructor: required in gcc 9+ since we define our own operator= below:

Assignment operator reusing data if we can

template<class R> bool samelattice(const LQVec<R> *vec) const¶

template<class R> bool samelattice(const LDVec<R>*) const¶

template<class R> bool starlattice(const LQVec<R>*) const¶

template<class R> bool starlattice(const LDVec<R> *vec) const¶

template<class R> bool samelattice(const LQVec<R> &vec) const¶

template<class R> bool samelattice(const LDVec<R>&) const¶

template<class R> bool starlattice(const LQVec<R>&) const¶

template<class R> bool starlattice(const LDVec<R> &vec) const¶

template<typename ...A> LQVec<T> view(A... args) const¶: Return a non-copying view into the LQVec.

template<typename ...A> LQVec<T> extract(A... args) const¶: Return a copied subset of the LQVec.

bArray<T> get_hkl() const¶: Extract just the coordinates in units of the Reciprocal lattice (strip off the lattice information)

bArray<double> get_xyz() const¶: Extract the coordinates in an orthonormal frame with its first axis, x, along a*, its second, y, perpendicular with y⋅b*>0 , and it’s third forming the right-handed set z=x×y.

LDVec<double> star() const¶: Return the vector(s) expressed in units of the Direct lattice.

double dot(const size_t i, const size_t j) const¶: Determine the scalar product between two vectors in the object.

double norm(const size_t i) const¶: Determine the absolute length of a vector in the object.

LQVec<double> cross(const size_t i, const size_t j) const¶: Determine the cross product of two vectors in the object.

template<class R> void binary_operation_check(const LQVec<R> &b) const¶

template<class R> void binary_operation_check(const LDVec<R> &b) const¶

template<class R, template<class> class A, typename = typename std::enable_if<!std::is_base_of<LatVec, A<R>>::value>::type> void binary_operation_check(const A<R>&) const¶

template<class R> bool is(const LQVec<R> &that) const¶: Check whether a second LQVec is approximately the same as this object.

LQVec<int> round() const¶: Round all elements using std::round.

LQVec<int> floor() const¶: Find the floor of all elements using std::floor.

LQVec<int> ceil() const¶: Find the ceiling of all elements using std::ceil.

LQVec<T> decouple()¶

Public Static Functions

LQVec<T> from_invA(const Reciprocal &lat, const bArray<T> &vec, const int = 1)¶

Protected Functions

void check_array()¶