gtCrystSetupPhase added to repo. Helps setting up a crystallographic phase.

Signed-off-by: preischig <preischig@gmail.com>

zUtil_Cryst/gtCrystSetupPhase.m

+function cryst = gtCrystSetupPhase(cryst, energy)
+%  GTCRYSTSETUPPHASE Sets and fills the symmetry and energy related fields
+%  for a crystallographic phase (field parameters.cryst). 
+%  --------------------------------------------------------------
+%
+%  cryst = gtCrystSetupPhase(cryst, energy)
+%
+%  A user function intended for manually setting crystallography info, 
+%  if the {hkl} reflections and lattice parameters and spacegroup are 
+%  known. Manual setting may be needed when gtSetup fails.  
+%
+%  INPUT:
+%    cryst = crystallographic phase info
+%              .hkl
+%              .latticepar
+%              .crystal_system
+%              .spacegroup
+%              .int
+%
+%  OUTPUT:
+%    Additional fields to cryst.
+%
+%  Version 001 18-12-2013 by PReischig
+
+sr = gtSymmetricReflections(cryst, energy);
+
+nn = size(cryst.hkl,2);
+
+Bmat = gtCrystHKL2CartesianMatrix(cryst.latticepar);
+
+cryst.symm        = gtCrystGetSymmetryOperators(cryst.crystal_system);
+cryst.thetatype   = 1:nn;
+cryst.dspacing    = gtCrystDSpacing(cryst.hkl, Bmat);
+cryst.theta       = gtCrystTheta(cryst.dspacing, energy);
+
+cryst.hklsp       = sr.hklsp;
+cryst.thetasp     = sr.thetasp;
+cryst.dspacingsp  = sr.dspacingsp;
+cryst.thetatypesp = sr.thetatypesp;
+cryst.intsp       = sr.intsp;
+cryst.mult        = sr.mult;
+
+
+
+end
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