- Nov 26, 2013
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Laura Nervo authored
gtCrystCalculateSymmetryOperators : Changed output names to 'symm_unique' and 'symm_all'; changed symm_all.rot to symm_all.g3; removed default value for phaseid symmetry_operators_list.py : added check for spacegroup number and added input argument #2 for the crystal system Signed-off-by:
Laura Nervo <laura.nervo@esrf.fr>
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- Nov 14, 2013
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Laura Nervo authored
Signed-off-by:
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- Nov 07, 2013
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Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
gtDisorientation : added 'convention' parameter to switch crystal axes convention for hexagonal materials. Better commented the header and indented. Corrected conversion from 3-indexes to 4-indexes with new function. Signed-off-by:
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- Oct 09, 2013
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Laura Nervo authored
gtDisorientation : fixed bug if lattice parameters are provided. Applied the same to gtMisorientation Signed-off-by:
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- Oct 02, 2013
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Laura Nervo authored
gtCrystFindFamilies : using ~isrow() to check reflections format: it should be one reflection each row, but not really confident that it works well Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
gtFillCrystFields : fixed name 'cryst.sg' for FABLE calculation of symmetry operators instead of 'cryst.opsym', which is filled already using the XOP/Diamond calculation gtCrystCalculateSymmetryOperators : changed 'opsym' to 'sg' to be consistent with parameters.cryst; changed fields of 'sg' to 'rot' and 'trans' instead of 'sg_rot' and 'sg_trans' build_list_v2 : updated the default list of parameters Signed-off-by:
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- Sep 18, 2013
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Laura Nervo authored
Signed-off-by:
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- Sep 06, 2013
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Laura Nervo authored
gtSymmetricReflections : used calculation of hklsp inside gtCrystSignedHKLs and already transform into rows as output. Removed trasposing from gtFillCrystFields Signed-off-by: -
Laura Nervo authored
gtCrystFindFamilies : Reads hklsp list from a grain and find the corresponding hkl family. Saves hkl, thetatypesp, dspacingsp, mult info for each reflection assigned to the grain (sorting according to dspacing values - needs single values in this case). Gives in the output extra info as thetatype, dpsacing, hkls, hklind for the complete list with the symmetrics. Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
Take crystal system directly from parameters file Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
gtDetectorTwotheta : changed variable 'int' to 'intensity' and directly transpose fields to have rows gtFillCrystFields : removed lines to transpose fields relative to gtDetectorTwotheta calculation Signed-off-by: -
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: -
Laura Nervo authored
Signed-off-by:
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- Aug 09, 2013
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Wolfgang Ludwig authored
Signed-off-by:Wolfgang Ludwig <wolfgang.ludwig@esrf.fr>
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Wolfgang Ludwig authored
Repair creation of cryst structure from of .csv or .dat files Signed-off-by:
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- Aug 05, 2013
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Yoann Guilhem authored
Signed-off-by:Yoann Guilhem <yoann.guilhem@esrf.fr>
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- Aug 01, 2013
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Laura Nervo authored
gtCrystFindFamilies : given a list of signed hkls, finds the family for each reflection, with thetatype, dspacing and multiplicity. It uses the symmetry operators. Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
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: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
Signed-off-by: -
Laura Nervo authored
gtSymmetricReflections : some formatting and changed name for intensity (not private word "int") plus forcing types of output to be used b ygtCrystFindFamilies Signed-off-by: -
Laura Nervo authored
gtCopy : added sensortype 'Frelon hd4m' to be chosen for kodak correction Signed-off-by: -
Laura Nervo authored
gtCrystSignedHKLs : check type of hkl (it must be double) Signed-off-by:
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- Jul 24, 2013
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Yoann Guilhem authored
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- Jul 03, 2013
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Yoann Guilhem authored
Signed-off-by: -
Yoann Guilhem authored
Signed-off-by:
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- Jul 01, 2013
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Yoann Guilhem authored
Signed-off-by: -
Yoann Guilhem authored
Signed-off-by: -
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: -
Laura Nervo authored
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