- Jan 20, 2015
-
-
Nicola Vigano authored
(thanks to Lorenzo for spotting some of them once again) Signed-off-by:Nicola Vigano <nicola.vigano@esrf.fr>
-
- Sep 06, 2013
-
-
Laura Nervo authored
Signed-off-by:Laura Nervo <laura.nervo@esrf.fr>
-
Laura Nervo authored
gtCrystCalculateReflections : added dummy values for intensity to be then fixed via fable... Ask Jon maybe if there is a way to have intensities from fable directly Signed-off-by: -
Laura Nervo authored
gtReadTextFile : generalised use of reading text files... Now we can pass inputs as varargin to specify options for textscan Signed-off-by:
-
- Aug 01, 2013
-
-
Laura Nervo authored
gtCrystCalculateReflections : read info from FABLE and calculate only dspacing using gtCrystDSpacing, formatting and displaying the results at the end Signed-off-by: -
Laura Nervo authored
Signed-off-by:
-
- Jul 01, 2013
-
-
Laura Nervo authored
gtCrystCalculateSymmetryOperators / gtCrystCalculateReflections : added argument 'phaseid' to simplify use of the function. It will read spacegroup and crystal system from parameters.cryst(phaseid). Signed-off-by:
-
- Apr 28, 2013
-
-
Signed-off-by:Yoann Guilhem <yoann.guilhem@esrf.fr>
-
Signed-off-by:
-
gtCrystCalculateReflections : modified output (now as structure) with all the info inside (to be imported in cryst), remove 'typelist' from input arguments (the calculation is made for both the unique and full lists of reflections) Signed-off-by:
-
Updating and improving the generation of the lists with symmetry operators and reflections for each space group. Changes: - gtCrystCalculateReflections : removed calculation of symmetry operators, done now in gtCrystCalculateSymmetryOperators; the function is needed to get the reflection list only, using script "reflections_list.py - gtCrystCalculateSymmetryOperators : calculates symmetry operators given a space group (using python script "symmetry_operators_list.py" Renamed create_reflections_list.py into reflections_list.py Signed-off-by:
-
Signed-off-by:
-
Calculation of reflections : update code to get list of permutations and rotations for each crystal system; create function to read text file output from python - Five text files are created running gtCrystCalculateReflections: + [filename][type].txt with the list of reflections with the specific unit cell, lambda, sin(theta)/lambda limits + rot_[crystal_system].txt with the set of unitary rotation matrices corresponding to the indistinguasible lattice permutations + perm_[crystal_system].txt with the set of indistinguasible lattice permutations + sg_rot_[crystal_system].txt with rotations (complete list using symmetry operators) + sg_trans_[crystal_system].txt with transition values from symmetry operators - Renamed zUtilCryst/gtCrystGetReflections.m into zUtil_Help/gtReadTextFile.m Signed-off-by: -
Reflections list calculation for any spacegroup : lattice parameters, spacegroup and maximum sin(theta)/lambda are needed. Content of the commit: zUtil_Cryst/gtCrystCalculateReflections : function to generate the reflection list for any spacegroup (using fable package xfab) and convert it from text file to matlab matrix zUtil_Cryst/gtCrystGetReflections : function to read output from gtCrystCalculateReflections and convert in matlab matrices zUtil_Python/create_reflections_list.py : python script for the calculation using xfab package Signed-off-by:
-
