Verified Commit 6fe66111 authored by Tobias WEBER's avatar Tobias WEBER
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parent c41710b3
...@@ -384,15 +384,16 @@ bool is_centering_reflection_allowed(const std::string& strSG, t_int h, t_int k, ...@@ -384,15 +384,16 @@ bool is_centering_reflection_allowed(const std::string& strSG, t_int h, t_int k,
/** /**
* checks for allowed Bragg reflections * checks for allowed Bragg reflections
*
* algorithm based on Clipper's HKL_class * algorithm based on Clipper's HKL_class
* constructor in clipper/core/coords.cpp by K. Cowtan, 2013 * constructor in clipper/core/coords.cpp by K. Cowtan, 2013
* @see http://www.ysbl.york.ac.uk/~cowtan/clipper/ * @see http://www.ysbl.york.ac.uk/~cowtan/clipper/
* *
* symmetry operation S on position r: R*r + t * symmetry operation S on position r: R*r + t
* F = sum<S>( exp(2*pi*i * (R*r + t)*G) ) * F = sum<S>( exp(2*pi*i * (R*r + t)*G) )
* = sum<S>( exp(2*pi*i * ((R*r)*G + t*G)) ) * = sum<S>( exp(2*pi*i * ((R*r)*G + t*G)) )
* = sum<S>( exp(2*pi*i * (r*(G*R) + t*G)) ) * = sum<S>( exp(2*pi*i * (r*(G*R) + t*G)) )
* = sum<S>( exp(2*pi*i * (r*(G*R)) * exp(2*pi*i * (G*t)) ) * = sum<S>( exp(2*pi*i * (r*(G*R))) * exp(2*pi*i * (G*t)) )
*/ */
template<template<class...> class t_cont = std::vector, template<template<class...> class t_cont = std::vector,
class t_mat = ublas::matrix<double>, class t_mat = ublas::matrix<double>,
......
...@@ -44,7 +44,7 @@ void normalise_P(std::vector<t_real>* pp_vec) ...@@ -44,7 +44,7 @@ void normalise_P(std::vector<t_real>* pp_vec)
/* /*
* this function tries to be a 1:1 C++ reimplementation of the Perl function * this function tries to be a 1:1 C++ reimplementation of the Perl function
* 'read_mcstas_res' of the McStas 'mcresplot' program * 'read_mcstas_res' of the McStas 'mcresplot.pl' program
*/ */
Resolution calc_res(const std::vector<vector<t_real>>& Q_vec, const std::vector<t_real>* pp_vec, Resolution calc_res(const std::vector<vector<t_real>>& Q_vec, const std::vector<t_real>* pp_vec,
const ublas::vector<t_real> *qPara, const ublas::vector<t_real> *qPerp) const ublas::vector<t_real> *qPara, const ublas::vector<t_real> *qPerp)
...@@ -149,7 +149,7 @@ Resolution calc_res(const std::vector<vector<t_real>>& Q_vec, const std::vector< ...@@ -149,7 +149,7 @@ Resolution calc_res(const std::vector<vector<t_real>>& Q_vec, const std::vector<
/* /*
* this function tries to be a 1:1 C++ reimplementation of the Perl function * this function tries to be a 1:1 C++ reimplementation of the Perl function
* 'read_mcstas_res' of the McStas 'mcresplot' program * 'read_mcstas_res' of the McStas 'mcresplot.pl' program
*/ */
Resolution calc_res( Resolution calc_res(
const std::vector<ublas::vector<t_real>>& vecKi, const std::vector<ublas::vector<t_real>>& vecKf, const std::vector<ublas::vector<t_real>>& vecKi, const std::vector<ublas::vector<t_real>>& vecKf,
......
...@@ -5,9 +5,10 @@ ...@@ -5,9 +5,10 @@
* @license GPLv2 * @license GPLv2
* *
* @desc This is a reimplementation in C++ of the files rc_projs.m and rc_int.m of the * @desc This is a reimplementation in C++ of the files rc_projs.m and rc_int.m of the
* - rescal5 package by Zinkin, McMorrow, Tennant, Farhi, and Wildes: * - rescal5 package by Zinkin, McMorrow, Tennant, Farhi, and Wildes:
* http://www.ill.eu/en/instruments-support/computing-for-science/cs-software/all-software/matlab-ill/rescal-for-matlab/ * http://www.ill.eu/en/instruments-support/computing-for-science/cs-software/all-software/matlab-ill/rescal-for-matlab/
* - and the 'mcresplot.pl' program from McStas (www.mcstas.org) * - and the 'mcresplot.pl' program from McStas (www.mcstas.org)
* https://github.com/McStasMcXtrace/McCode/blob/master/tools/Legacy-Perl/mcresplot.pl
* - see also: [eck14] G. Eckold and O. Sobolev, NIM A 752, pp. 54-64 (2014) * - see also: [eck14] G. Eckold and O. Sobolev, NIM A 752, pp. 54-64 (2014)
*/ */
...@@ -92,7 +93,7 @@ enum class EllipseCoordSys : int ...@@ -92,7 +93,7 @@ enum class EllipseCoordSys : int
/** /**
* project along one axis of the quadratic part of the quadric to remove line and column iIdx * project along one axis of the quadratic part of the quadric to remove line and column iIdx
* this is a 1:1 C++ reimplementation of 'rc_int' from 'mcresplot' and 'rescal5' * this is a 1:1 C++ reimplementation of 'rc_int' from 'mcresplot.pl' and 'rescal5'
* (see also [eck14], equ. 57) * (see also [eck14], equ. 57)
* project along row/column iIdx * project along row/column iIdx
* *
...@@ -298,7 +299,7 @@ static inline const std::string& ellipse_labels(int iCoord, EllipseCoordSys sys, ...@@ -298,7 +299,7 @@ static inline const std::string& ellipse_labels(int iCoord, EllipseCoordSys sys,
/* /*
* this is a 1:1 C++ reimplementation of 'proj_elip' from 'mcresplot' and 'rescal5' * this is a 1:1 C++ reimplementation of 'proj_elip' from 'mcresplot.pl' and 'rescal5'
* iX, iY: dimensions to plot * iX, iY: dimensions to plot
* iInt: dimension to integrate * iInt: dimension to integrate
* iRem1, iRem2: dimensions to remove * iRem1, iRem2: dimensions to remove
......
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