Clipper
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reflection 'Miller' index More...
#include <coords.h>
Public Member Functions | |
HKL () | |
null constructor | |
HKL (const Vec3< int > &v) | |
constructor: copy/convert | |
HKL (const int &h, const int &k, const int &l) | |
constructor: from H,K,L | |
const int & | h () const |
get h | |
const int & | k () const |
get k | |
const int & | l () const |
get l | |
int & | h () |
set h | |
int & | k () |
set k | |
int & | l () |
set l | |
ftype | invresolsq (const Cell &cell) const |
return inverse resolution squared for this reflection in given cell More... | |
Coord_reci_frac | coord_reci_frac () const |
return fractional reciprocal coordinate (i.e. non-integer HKL) More... | |
Coord_reci_orth | coord_reci_orth (const Cell &cell) const |
orthogonal-fractional reciprocal space coordinate conversion More... | |
HKL | transform (const Symop &op) const |
return transformed hkl More... | |
HKL | transform (const Isymop &op) const |
return transformed hkl More... | |
ftype | sym_phase_shift (const Symop &op) const |
return symmetry phase shift for this HKL under op More... | |
String | format () const |
return formatted String representation More... | |
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Vec3 () | |
null constructor | |
Vec3 (const int &v0, const int &v1, const int &v2) | |
constructor: from individual values | |
Vec3 (const Vec3< TT > &v) | |
constructor: copy/convert | |
bool | equals (const Vec3< int > &v, const int &tol) const |
test equality | |
const int & | operator[] (const int &i) const |
get element | |
int & | operator[] (const int &i) |
set element | |
Vec3< int > | unit () const |
return unit vector with same direction as this vector | |
bool | is_null () const |
test for null vector | |
String | format () const |
return formatted String representation | |
const Vec3< int > & | operator+= (const Vec3< int > &v) |
add another vector to this one | |
const Vec3< int > & | operator-= (const Vec3< int > &v) |
subtract another vector from this one | |
Friends | |
HKL | operator- (const HKL &h1) |
HKL | operator+ (const HKL &h1, const HKL &h2) |
HKL | operator- (const HKL &h1, const HKL &h2) |
HKL | operator* (const int &s, const HKL &h1) |
HKL | operator* (const Isymop &op, const HKL &h1) |
Additional Inherited Members | |
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static Vec3< int > | zero () |
return zero vector | |
static Vec3< int > | null () |
return null vector (only valid for floating point types) | |
static int | dot (const Vec3< int > &v1, const Vec3< int > &v2) |
Vector dot product (equivalent to *) | |
static Vec3< int > | cross (const Vec3< int > &v1, const Vec3< int > &v2) |
Vector cross product. | |
reflection 'Miller' index
return inverse resolution squared for this reflection in given cell
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inline |
return fractional reciprocal coordinate (i.e. non-integer HKL)
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inline |
orthogonal-fractional reciprocal space coordinate conversion
cell | The cell concerned |
return transformed hkl
Requires integer->ftype->integer transformation.
op | The symmetry operator |
return transformed hkl
Optimal version.
op | The symmetry operator |
String clipper::HKL::format | ( | ) | const |
return formatted String representation