commit before major rearrangement of code and workflow in EM4DEBSD

NamelistTemplates/EM4DEBSD.template

@@ -16,24 +16,35 @@
  numsx = 0,
  numsy = 0,
 ! minimum distance from center of pattern at which to start ignoring virtual detector positions [pixels]
-! leave at zero if no cutoff is to be used
- radiuscutoff = 0.0,
+! set to a number larger than the pattern size if no cutoff is to be used
+ radiuscutoff = 256.0,
 
 !=====================================
 ! if doconvolution = .TRUE., then perform a full data set convolution and store the 
 ! results in the HDF5 file convolvedpatternfile [relative to EMdatapathname]
 ! else we interrogate the convolvedpatternfile
 !=====================================
  doconvolution = .FALSE.,
+! filename for convolved patterns (will be an EMEBSD32f HDF5 file)
  convolvedpatternfile = 'undefined', 
+! virtual detector type:  'Flat', 'Gaus', 'Hann', 'Array'
+ VDtype = 'Flat',
+! specify how many patterns should be in the output grid (2*NGrid+1)
+ NGrid = 0,
+! square virtual detector size (should be odd numbers of the form 2*n+1 !)
+ VDsize = 5,
+! Gaussian virtual detector standard deviation
+ VDSD = 2.5,
+! Hann window alpha parameter
+ VDHannAlpha = 0.5, 
 
 !=====================================
-! Virtual Detector Parameters
+! Additional Virtual Detector Parameters
 !=====================================
-! virtual detector type:  'Flat', 'Gaus', 'Hann', 'Array'
- VDtype = 'Flat',
  ! this parameter is only used for the Array representation
  normalize = 'all',  ! or 'pat' for individual pattern-by-pattern normalization
+! stepsize in pixels for VDtype='Array' mode
+ VDstep = 8,
 ! virtual detector reference: 'EBSP', 'MPat'
  VDreference = 'EBSP',
 ! coordinates of the sampling point from which the EBSP is used to define the detector position
@@ -44,17 +55,15 @@
 ! in terms of master pattern coordinates for VDreference='MPat'
  VDlocx = 0.0, 
  VDlocy = 0.0,
-! square virtual detector size (should be odd numbers of the form 2*n+1 !)
- VDsize = 5,
-! Gaussian virtual detector standard deviation
- VDSD = 2.5,
-! Hann window alpha parameter
- VDHannAlpha = 0.5, 
-! stepsize in pixels for VDtype='Array' mode
- VDstep = 8,
+! EBSD is not very sensitive to the small intensity differences that occur for 
+! non-centrosymmetric crystals; if a structure is not centro-symmetric, then the 
+! following parameter can be used to impose inversion symmetry... if a selected location
+! on the master pattern always results in the message 'no solution found on detector 
+! for this pattern' then setting this parameter to .TRUE. might solve the problem.
+ applyinversion = .FALSE.,
 
 !###################################################################
-! Input File Parameters
+! Input Files
 !###################################################################
 !
 ! name of datafile where the patterns are stored; path relative to EMdatapathname
@@ -69,15 +78,11 @@
  HDFstrings = '' '' '' '' '' '' '' '' '' '',
 ! name of the dot product file [relative to EMdatapathname]
  dotproductfile = 'undefined',
-
-!=====================================
-! Master pattern file (for a future implementation)
-!=====================================
 ! the following parameter MUST be set if VDreference = 'MPat'
  masterfile = 'undefined'
 
 !=====================================
-! Output files
+! Output file
 !=====================================
 ! name of virtual detector image file
  virtualimagefile = 'undefined',

Source/EMsoftOOLib/mod_vendors.f90

@@ -661,10 +661,10 @@ recursive function openExpPatternFile_(self, EMsoft, npat, L, recsize, HDFstring
           groupname = trim(HDFstrings(2))
           hdferr = HDF%openGroup(groupname)
           datasetx = 'IX'
-          datasety= 'IY'
+          datasety = 'IY'
         else
           datasetx = 'SEM IX'
-          datasety= 'SEM IY'
+          datasety = 'SEM IY'
         end if
         if (hdferr.ne.0) call HDF%error_check('openExpPatternFile:HDF%openGroup: groupname issue, check for typos.', hdferr)
         !  this part is different from the other vendors: the patterns are not necessarily in the correct order