From a94b089aaacf78dd7e6023f8176b23ab6fc1c130 Mon Sep 17 00:00:00 2001
From: Martin	Diehl <m.diehl@mpie.de>
Date: Thu, 26 Jul 2012 09:07:24 +0000
Subject: [PATCH] removed old fortran brute force based tessellation

---
 .../pre/spectral_voronoiTessellation.py       |   2 +-
 processing/pre/voronoi_tessellation.f90       | 365 ------------------
 processing/setup/setup_processing.py          |   2 -
 3 files changed, 1 insertion(+), 368 deletions(-)
 delete mode 100644 processing/pre/voronoi_tessellation.f90

diff --git a/processing/pre/spectral_voronoiTessellation.py b/processing/pre/spectral_voronoiTessellation.py
index 2861bd05a..9c1708011 100755
--- a/processing/pre/spectral_voronoiTessellation.py
+++ b/processing/pre/spectral_voronoiTessellation.py
@@ -133,7 +133,7 @@ for file in files:
   for i in xrange(N_seeds): 
     file['material.config'].write('[Grain'+ str(i+1).zfill(digits)+ ']'+'\n')  
     file['material.config'].write('(gauss)  phi1 '+ str(eulers[i][0])+ '    Phi '+ str(eulers[i][1])+ \
-                                        '    Phi2 '+ str(eulers[i][2])+ '   scatter 0.0   fraction 1.0'+'\n')
+                                       '    phi2 '+ str(eulers[i][2])+ '   scatter 0.0   fraction 1.0'+'\n')
     
                                                                                  
  
diff --git a/processing/pre/voronoi_tessellation.f90 b/processing/pre/voronoi_tessellation.f90
deleted file mode 100644
index c06c68a00..000000000
--- a/processing/pre/voronoi_tessellation.f90
+++ /dev/null
@@ -1,365 +0,0 @@
-!prec.f90 407 2009-08-31 15:09:15Z MPIE\f.roters
-!##############################################################
- MODULE prec
-!##############################################################
-
- implicit none
- 
-!    *** Precision of real and integer variables ***
- integer, parameter :: pReal = selected_real_kind(15,300)     ! 15 significant digits, up to 1e+-300
- integer, parameter :: pInt  = selected_int_kind(9)           ! up to +- 1e9
- integer, parameter :: pLongInt  = 8                          ! should be 64bit
-
- END MODULE prec
- 
-!IO.f90 693 2010-11-04 18:18:01Z MPIE\c.kords
-!##############################################################
- MODULE IO   
-!##############################################################
-
- CONTAINS
-!********************************************************************
-! identifies lines without content
-!********************************************************************
- pure function IO_isBlank (line)
-
- use prec, only: pInt
- implicit none
-
- character(len=*), intent(in) :: line
- character(len=*), parameter :: blank = achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
- character(len=*), parameter :: comment = achar(35)                               ! comment id '#'
- integer(pInt) posNonBlank, posComment
- logical IO_isBlank
- 
- posNonBlank = verify(line,blank)
- posComment  = scan(line,comment)
- IO_isBlank = posNonBlank == 0 .or. posNonBlank == posComment
-
- return
- 
- endfunction
-
-!********************************************************************
-! read string value at pos from line
-!********************************************************************
- pure function IO_stringValue (line,positions,pos)
- 
- use prec, only: pReal,pInt
- implicit none
- 
- character(len=*), intent(in) :: line
- integer(pInt), intent(in) :: positions(*),pos
- character(len=1+positions(pos*2+1)-positions(pos*2)) IO_stringValue
-
- if (positions(1) < pos) then
-   IO_stringValue = ''
- else
-   IO_stringValue = line(positions(pos*2):positions(pos*2+1))
- endif
- return
-
- endfunction
- 
-!********************************************************************
-! read float value at pos from line
-!********************************************************************
- pure function IO_floatValue (line,positions,pos)
- 
- use prec, only: pReal,pInt
- implicit none
- 
- character(len=*), intent(in) :: line
- integer(pInt), intent(in) :: positions(*),pos
- real(pReal) IO_floatValue
-
- if (positions(1) < pos) then
-   IO_floatValue = 0.0_pReal
- else
-   read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_floatValue
- endif
- return
-100 IO_floatValue = huge(1.0_pReal)
- return
-
- endfunction
- 
-!********************************************************************
-! read int value at pos from line
-!********************************************************************
- pure function IO_intValue (line,positions,pos)
- 
- use prec, only: pReal,pInt
- implicit none
- 
- character(len=*), intent(in) :: line
- integer(pInt), intent(in) :: positions(*),pos
- integer(pInt) IO_intValue
-
- if (positions(1) < pos) then
-   IO_intValue = 0_pInt
- else
-   read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_intValue
- endif
- return
-100 IO_intValue = huge(1_pInt)
- return
-
- endfunction
- 
-!********************************************************************
-! change character in line to lower case
-!********************************************************************
- pure function IO_lc (line)
-
- use prec, only: pInt
- implicit none
-
- character (len=*), intent(in) :: line
- character (len=len(line)) IO_lc
- integer(pInt) i
-
- IO_lc = line
- do i=1,len(line)
-    if(64<iachar(line(i:i)) .and. iachar(line(i:i))<91) IO_lc(i:i)=achar(iachar(line(i:i))+32)
- enddo
- return 
-
- endfunction
- 
-!********************************************************************
-! locate at most N space-separated parts in line
-! return array containing number of parts in line and
-! the left/right positions of at most N to be used by IO_xxxVal
-!********************************************************************
-! pure function IO_stringPos (line,N)
- function IO_stringPos (line,N)
-
- use prec, only: pReal,pInt
- implicit none
-
- character(len=*), intent(in) :: line
- character(len=*), parameter :: sep=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
- integer(pInt), intent(in) :: N
- integer(pInt)  left,right
- integer(pInt) IO_stringPos(1+N*2)
-
- IO_stringPos = -1
- IO_stringPos(1) = 0
- right = 0
-
- do while (verify(line(right+1:),sep)>0)
-   left  = right + verify(line(right+1:),sep)
-   right = left + scan(line(left:),sep) - 2
-   if ( IO_stringPos(1)<N ) then
-     IO_stringPos(1+IO_stringPos(1)*2+1) = left
-     IO_stringPos(1+IO_stringPos(1)*2+2) = right
-   endif
-   IO_stringPos(1) = IO_stringPos(1)+1
- enddo
-
- return
-
- endfunction
- 
-END MODULE
-
-program voronoi
- use prec, only: pReal, pInt
- use IO
- implicit none
-
- logical :: gotN_Seeds=.false., gotResolution = .false.
- logical, dimension(:), allocatable :: grainCheck
- character(len=1024) input_name, output_name, format1, format2, N_Digits, line, key
- integer(pInt) N_Seeds, theGrain, i, j, k, l, m
- integer(pInt), dimension (1+2*7) ::  posGeom
- real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
- real(pReal), dimension(3) :: step,geomdim,delta
- integer(pInt), dimension(3) :: resolution
- logical, dimension(3) :: validDim
- real(pReal) minDist, theDist
- real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
-
- print*, '******************************************************************************'
- print*, '                    Spectral Method Problem Set-up'
- print*, '******************************************************************************'
- print*, '$Id$'
- print*, ''
- print*, 'generates:'
- print*, '    * geom file "_OUTPUT_.geom": Geometrical information for solver'
- print*, '    * material file "material.config": Orientation information for solver'
- print*, '    * "_OUTPUT_.spectral": combined information for solver'
- print*, ''
- write(*, '(A)', advance = 'NO') 'output filename: '
- read(*, *), output_name
- write(*, '(A)', advance = 'NO') 'seed input filename (w/o extension .seeds): '
- read(*, *), input_name
-  
- open(20, file = trim(input_name)//('.seeds'), status='old', action='read')
- rewind(20)
- do
-   read(20,'(a1024)',END = 100) line
-   if (IO_isBlank(line)) cycle                            ! skip empty lines
-   posGeom = IO_stringPos(line,7)             
-   select case ( IO_lc(IO_StringValue(line,posGeom,1)) )
-     case ('grains')
-       gotN_Seeds = .true.
-       N_Seeds = IO_intValue(line,posGeom,2)
-     case ('resolution')
-       gotResolution = .true.
-       do i = 2,6,2
-         select case (IO_lc(IO_stringValue(line,posGeom,i)))
-           case('a')
-             resolution(1) = IO_intValue(line,posGeom,i+1)
-           case('b')
-             resolution(2) = IO_intValue(line,posGeom,i+1)
-           case('c')
-             resolution(3) = IO_intValue(line,posGeom,i+1)
-         end select
-       enddo
-   end select
-   if (gotN_Seeds .and. gotResolution) exit
- enddo
-
- 100 allocate(grainEuler(N_Seeds,3))
- allocate(seeds(N_Seeds,3))
- allocate(grainCheck(N_Seeds))
- grainCheck = .false.
- 
- print*, 'resolution: ' ,resolution(1),resolution(2),resolution(3)
- write(*, '(A)', advance = 'NO') 'resolution in x: '
- read(*, *), resolution(1)
- write(*, '(A)', advance = 'NO') 'resolution in y: '
- read(*, *), resolution(2)
- write(*, '(A)', advance = 'NO') 'resolution in z: '
- read(*, *), resolution(3)
- 
- step(1) = 1.0_pReal/real(resolution(1),pReal)
- step(2) = 1.0_pReal/real(resolution(2),pReal)
- step(3) = 1.0_pReal/real(resolution(3),pReal)
- 
- write(*, '(A)', advance = 'NO') 'size in x: '
- read(*, *), geomdim(1)
- write(*, '(A)', advance = 'NO') 'size in y: '
- read(*, *), geomdim(2)
- write(*, '(A)', advance = 'NO') 'size in z: '
- read(*, *), geomdim(3)
- 
- rewind(20)
- read(20,'(a1024)') line
- posGeom = IO_stringPos(line,2)
- key = IO_stringValue(line,posGeom,2)
- if (IO_lc(key(1:4)) == 'head') then
-   do i=1,IO_intValue(line,posGeom,1); read(20,'(a1024)') line; enddo
- else
-   rewind(20)
- endif
- do i=1, N_seeds
-  read(20,'(a1024)') line
-  if (IO_isBlank(line)) cycle                            ! skip empty lines
-  posGeom = IO_stringPos(line,6)                         ! split line
-  do j=1,3
-    seeds(i,j) =      IO_floatValue(line,posGeom,j)
-    grainEuler(i,j) = IO_floatValue(line,posGeom,j+3)
-  enddo
- enddo
- close(20)
- 
- !check dimensions, set dimension with 0 to smallest step of other dimensions
- validDim = .false.
-   
- do i = 1,3
-   if(geomdim(i) .gt. 0.0) validDim(i) = .true.
- enddo
- 
- if(all(validDim .eqv. .false.)) then
-   geomdim(maxval(maxloc(resolution))) = 1.0
-   validDim(maxval(maxloc(resolution))) = .true.
-   print*, 'no valid dimension specified, using automated setting'
- endif
- 
- do i=1,3
-   if (validDim(i) .eqv. .false.) then
-     print*, 'rescaling ivalid dimension' , i
-     geomdim(i) = maxval(geomdim/real(resolution),validDim)*real(resolution(i))
-    endif
- enddo    
-! calculate No. of digits needed for name of the grains
- i = 1 + int( log10(real( N_Seeds )))
- write(N_Digits, *) i
- N_Digits = adjustl( N_Digits )
-
-!write material.config header and add a microstructure entry for every grain
- open(20, file = trim(output_name)//('_material.config'))
- write(20, '(A)'), '<microstructure>'
- format1 = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
- format2 = '(A, I'//trim(N_Digits)//', A)'
- do i = 1, N_Seeds
-   write(20, trim(format1)), '[Grain', i, ']'
-   write(20, '(A)'), 'crystallite 1'
-   write(20, trim(format2)), '(constituent)  phase 1   texture ', i, '   fraction 1.0'
- end do
-
-! get random euler angles for every grain, store them in grainEuler and write them to the material.config file
- format2 = '(6(A, F10.6))'
- write(20, '(/, A)'), '<texture>'
-   do i = 1, N_Seeds
-     write(20, trim(format1)), '[Grain', i, ']'
-     write(20, trim(format2)), '(gauss)  phi1 ', grainEuler(i,1), '   Phi ', grainEuler(i,2), &
-           &'   Phi2 ', grainEuler(i,3), '   scatter 0.0   fraction 1.0'
-   end do
- close(20)
- print*, 'material.config done.'
-
-!write header of geom file
- open(20, file = ((trim(output_name))//'.geom'))
- open(21, file = ((trim(output_name))//'.spectral'))
- write(20, '(A)'), '3 header'
- write(20, '(A, I8, A, I8, A, I8)'), 'resolution  a ', resolution(1), '  b ', resolution(2), '  c ', resolution(3)
- write(20, '(A, g17.10, A, g17.10, A, g17.10)'), 'dimension   x ', geomdim(1), '  y ', geomdim(2), '  z ', geomdim(3)
- write(20, '(A)'), 'homogenization  1'
-
- format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'                    ! geom format
- format2 = '(3(tr2, f6.2), 3(tr2,g10.5), I10, a)'                            ! spectral (Lebensohn) format
-
-
-! perform voronoi tessellation and write result to files
- do i = 0, resolution(1)*resolution(2)*resolution(3)-1
-   minDist = geomdim(1)*geomdim(1)+geomdim(2)*geomdim(2)+geomdim(3)*geomdim(3)                   ! diagonal of rve
-   do j = 1, N_Seeds
-     delta(1) = step(1)*(mod(i    , resolution(1))+0.5_pReal) - seeds(j,1)
-     delta(2) = step(2)*(mod(i/resolution(1)  , resolution(2))+0.5_pReal) - seeds(j,2)
-     delta(3) = step(3)*(mod(i/resolution(1)/resolution(2), resolution(3))+0.5_pReal) - seeds(j,3)
-     do k = -1, 1                                                                                            ! left, me, right image
-       do l = -1, 1                                                                                          ! front, me, back image
-         do m = -1, 1                                                                                        ! lower, me, upper image
-           theDist = ( geomdim(1) * ( delta(1)-real(k,pReal) ) )**2 + &
-                     ( geomdim(2) * ( delta(2)-real(l,pReal) ) )**2 + &
-                     ( geomdim(3) * ( delta(3)-real(m,pReal) ) )**2
-           if (theDist < minDist) then
-             minDist = theDist
-             theGrain = j
-           endif
-         enddo
-       enddo
-     enddo
-   enddo
-   grainCheck(theGrain) = .true.
-   write(20, trim(format1)), theGrain
-   write(21, trim(format2)), grainEuler(theGrain,1), grainEuler(theGrain,2), grainEuler(theGrain,3), &
-                             geomdim(1)*step(1)*(mod(i    , resolution(1))+0.5_pReal), &
-                             geomdim(2)*step(2)*(mod(i/resolution(1)  , resolution(2))+0.5_pReal), &
-                             geomdim(3)*step(3)*(mod(i/resolution(1)/resolution(2), resolution(3))+0.5_pReal), &
-                             theGrain, '   1'
- enddo
- close(20)
- close(21)
- print*, 'voronoi tesselation done.'
- if (all(grainCheck)) then
-   print*, 'all grains mapped!'
- else
-    print*, 'only',count(grainCheck),'grains mapped!'
-  endif
- 
-end program voronoi
diff --git a/processing/setup/setup_processing.py b/processing/setup/setup_processing.py
index 94fd472ad..badc4f9e1 100755
--- a/processing/setup/setup_processing.py
+++ b/processing/setup/setup_processing.py
@@ -91,7 +91,6 @@ bin_link = { \
                 'spectral_randomSeeding.py',
                 'spectral_layeredGeom.py',
                 'spectral_geomPack.py',
-                'voronoi_tessellation.exe',
                 'spectral_voronoiTessellation.py',
                 'OIMang_hex2cub.py',
                 ],
@@ -124,7 +123,6 @@ bin_link = { \
 
 compile = { \
         'pre' : [
-                'voronoi_tessellation.f90',
                 ],
         'post' : [
                 ],