sight restructuring of algorithm -- same functionality

processing/pre/voronoi_randomSeeding.f90

@@ -18,18 +18,23 @@ program voronoi
 
  logical, dimension(:), allocatable :: seedmap
  character(len=1024) filename
- integer(pInt) a, b, c, N_Seeds, seedpoint, i
+ integer(pInt), dimension(3) :: seedcoord
+ integer(pInt), dimension(:), allocatable :: rndInit
+ integer(pInt) a, b, c, N_Seeds, seedpoint, i, randomSeed, rndSize
  real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
  real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
- real(pReal) randomSeed
 
  print*, '******************************************************************************'
  print*, '                    Voronoi description file'
  print*, '******************************************************************************'
  print*, ''
  print*, 'generates:'
- print*, '    * description file "_GIVEN_NAME_.seeds":'
+ print*, '    * description file "_OUTPUT_.seeds":'
  print*, ''
+ write(*, '(A)', advance = 'NO') 'Please enter name of output seed file: '
+ read(*, *), filename
+ write(*, '(A)', advance = 'NO') 'Please enter value random seed: '
+ read(*, *), randomSeed; randomSeed = max(0_pInt,randomSeed)
  write(*, '(A)', advance = 'NO') 'Please enter value for first resolution: '
  read(*, *), a
  write(*, '(A)', advance = 'NO') 'Please enter value for second resolution: '
@@ -38,43 +43,50 @@ program voronoi
  read(*, *), c
  write(*, '(A)', advance = 'NO') 'Please enter No. of Grains: '
  read(*, *), N_Seeds
- write(*, '(A)', advance = 'NO') 'Please enter name of geometry file: '
- read(*, *), filename
 
  allocate (seedmap(a*b*c)); seedmap = .false.  ! logical to store information which position is occupied by a voronoi seed
  allocate (seeds(N_Seeds,3))
  allocate (grainEuler(N_Seeds,3))
 
+ call random_seed(size=rndSize)
+ allocate(rndInit(rndSize))
+ rndInit = randomSeed
+ call random_seed(put=rndInit)
+ call random_seed(get=rndInit)
+  
  do i=1, N_Seeds
    call random_number(grainEuler(i,1))
    call random_number(grainEuler(i,2))
    call random_number(grainEuler(i,3))
-   grainEuler(i,1) = (grainEuler(i,1))*360                     
+   grainEuler(i,1) = (grainEuler(i,1))*360.0                     
-   grainEuler(i,2) = acos(2.0_pReal*(grainEuler(i,2))-1.0_pReal)*180/pi
+   grainEuler(i,2) = acos(2.0_pReal*(grainEuler(i,2))-1.0_pReal)*180.0/pi
-   grainEuler(i,3) = grainEuler(i,3)*360
+   grainEuler(i,3) = grainEuler(i,3)*360.0
  enddo
 
 !generate random position of seeds for voronoi tessellation
- i = 0
+ i = 1
- do while (i /= N_Seeds)
+ do while (i <= N_Seeds)
-   call random_number(randomSeed)
+   call random_number(seeds(i,1)); seedcoord(1) = min(a,int(seeds(i,1)*a)+1_pInt)-1_pInt
-   seedpoint = int(randomSeed*(a*b*c))
+   call random_number(seeds(i,2)); seedcoord(2) = min(b,int(seeds(i,2)*b)+1_pInt)-1_pInt
+   call random_number(seeds(i,3)); seedcoord(3) = min(c,int(seeds(i,3)*c)+1_pInt)-1_pInt
+   seedpoint = seedcoord(1) + seedcoord(2)*a + seedcoord(3)*a*b
    if (.not. seedmap(seedpoint+1)) then
      seedmap(seedpoint+1) = .true. 
      i = i + 1
-     seeds(i,1) = real(mod((seedpoint), a)+1)/real(a, pReal)
-     seeds(i,2) = real(mod(((seedpoint)/a), b)+1)/real(b,pReal)
-     seeds(i,3) = real(mod(((seedpoint)/(a*b)), c)+1)/real(c,pReal)
    end if
  end do
   
 ! write description file with orientation and position of each seed
  open(21, file = trim(filename)//('.seeds'))
- write(21, '(A, I2, A, I2, A, I2)'), 'resolution  a ', a, '  b ', b, '  c ', c
+ write(21, '(i1,a1,a6)') 4,achar(9),'header'
- write(21,*), 'grains', N_Seeds
+ write(21, '(A, I2, A, I2, A, I2)') 'resolution  a ', a, '  b ', b, '  c ', c
+ write(21,*) 'grains', N_Seeds
+ write(21,*) 'random seed ',rndInit(1)
+ write(21,'(6(a,a1))') 'x',achar(9),'y',achar(9),'z',achar(9),'phi1',achar(9),'Phi',achar(9),'phi2',achar(9)
  do i = 1, n_Seeds
-   write(21, '(6(F10.6,tr2))'),seeds(i,1), seeds(i,2), seeds(i,3),&
+   write(21, '(6(F10.6,a1))'),seeds(i,1),     achar(9), seeds(i,2),     achar(9), seeds(i,3),     achar(9), &
-                          grainEuler(i,1), grainEuler(i,2), grainEuler(i,3)              
+                              grainEuler(i,1),achar(9), grainEuler(i,2),achar(9), grainEuler(i,3),achar(9)              
  end do
  close(21)
+ deallocate (rndInit)
 end program voronoi

processing/pre/voronoi_tessellation.f90

@@ -170,28 +170,28 @@ program voronoi
  implicit none
 
  logical gotN_Seeds, gotResolution
- character(len=1024) input_name, output_name, format1, format2, N_Digits, line
+ logical, dimension(:), allocatable :: grainCheck
- integer(pInt) a, b, c, N_Seeds, seedPoint, minDistance, myDistance, i, j, k, l, m
+ character(len=1024) input_name, output_name, format1, format2, N_Digits, line, key
- integer(pInt), dimension(:), allocatable :: grainMap
+ integer(pInt) a, b, c, N_Seeds, seedPoint, theGrain, minDistance, myDistance, i, j, k, l, m
- integer(pInt) coordinates(3)
+ integer(pInt), dimension(3) :: coordinates
- integer(pInt), dimension (15) ::  posGeom
+ integer(pInt), dimension (1+2*7) ::  posGeom
  real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
+ real(pReal), dimension(3) :: dim
  real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
- real(pReal) scaling
 
  print*, '******************************************************************************'
  print*, '                    Spectral Method Problem Set-up'
  print*, '******************************************************************************'
  print*, ''
  print*, 'generates:'
- print*, '    * geom file "_GIVEN_NAME_.geom": Geometrical information for solver'
+ print*, '    * geom file "_OUTPUT_.geom": Geometrical information for solver'
  print*, '    * material file "material.config": Orientation information for solver'
- print*, '    * "_GIVEN_NAME_.spectral": combined information for solver'
+ print*, '    * "_OUTPUT_.spectral": combined information for solver'
  print*, ''
- write(*, '(A)', advance = 'NO') 'Enter filename of input file (extension .seeds): '
+ write(*, '(A)', advance = 'NO') 'Enter output filename: '
- read(*, *), input_name
- write(*, '(A)', advance = 'NO') 'Enter filename of output file: '
  read(*, *), output_name
+ write(*, '(A)', advance = 'NO') 'Enter seed input file (extension .seeds): '
+ read(*, *), input_name
   
  open(20, file = trim(input_name)//('.seeds'), status='old', action='read')
  rewind(20)
@@ -221,19 +221,37 @@ program voronoi
 
  100 allocate(grainEuler(N_Seeds,3))
  allocate(Seeds(N_Seeds,3))
+ allocate(grainCheck(N_Seeds))
+ grainCheck = .false.
  
  print*, 'resolution: ' ,a,b,c
- write(*, '(A)', advance = 'NO') 'Enter scaling factor: '
+ write(*, '(A)', advance = 'NO') 'New first resolution: '
- read(*, *), scaling
+ read(*, *), a
+ write(*, '(A)', advance = 'NO') 'New second resolution: '
+ read(*, *), b
+ write(*, '(A)', advance = 'NO') 'New third resolution: '
+ read(*, *), c
  
- a = int(a*scaling)
+ write(*, '(A)', advance = 'NO') 'First dimension: '
- b = int(b*scaling)
+ read(*, *), dim(1)
- c = int(c*scaling)
+ write(*, '(A)', advance = 'NO') 'Second dimension: '
+ read(*, *), dim(2)
+ write(*, '(A)', advance = 'NO') 'Third dimension: '
+ read(*, *), dim(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,12)             
+  posGeom = IO_stringPos(line,6)             
   Seeds(i,1)=IO_floatValue(line,posGeom,1)
   Seeds(i,2)=IO_floatValue(line,posGeom,2)
   Seeds(i,3)=IO_floatValue(line,posGeom,3)
@@ -247,7 +265,6 @@ program voronoi
  seeds(:,2) = seeds(:,2)*real(b, pReal)
  seeds(:,3) = seeds(:,3)*real(c, pReal)
  
- allocate (grainMap(a*b*c))
 ! calculate No. of digits needed for name of the grains
   i = 1 + int( log10(real( N_Seeds )))
   write(N_Digits, *) i
@@ -274,49 +291,51 @@ program voronoi
     end do
   close(20)
   print*, ''
-  print*, 'material config file is written out'
+  print*, 'material.config done.'
 
 !write header of geom file
   open(20, file = ((trim(output_name))//'.geom'))
-  write(20, '(A, I2, A, I2, A, I2)'), 'resolution  a ', a, '  b ', b, '  c ', c
+  open(21, file = ((trim(output_name))//'.spectral'))
-  write(20, '(A, I4, A, I4, A, I4)'), 'dimension   x ', a, '  y ', b, '  z ', c
+  write(20, '(A)'), '3 header'
+  write(20, '(A, I8, A, I8, A, I8)'), 'resolution  a ', a, '  b ', b, '  c ', c
+  write(20, '(A, g15.10, A, g15.10, A, g15.10)'), 'dimension   x ', dim(1), '  y ', dim(2), '  z ', dim(3)
   write(20, '(A)'), 'homogenization  1'
 
-!initialize varibles, change values of some numbers for faster execution
+  format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'                    ! geom format
-  format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'
+  format2 = '(3(tr2, f6.2), 3(I10), I10, a)'                                  ! spectral (Lebensohn) format
 
 
-! perform voronoi tessellation and write result to file and to grainMap
+! perform voronoi tessellation and write result to files
-  do i = 1, a*b*c
+  do i = 0, a*b*c-1
     minDistance = a*a+b*b+c*c
     do j = 1, N_Seeds
-      do k = -1, 1
+      do k = -1, 1                                                                                            ! left, me, right image
-        do l = -1, 1
+        do l = -1, 1                                                                                          ! front, me, back image
-          do m = -1, 1
+          do m = -1, 1                                                                                        ! lower, me, upper image
-            myDistance = ((mod((i-1), a) +1-seeds(j,1)+m*a)**2+&
+            myDistance = ((         mod(i, a)+1 -seeds(j,1)-m*a)**2 + &
-                     (mod(((i-1)/a), b) +1-seeds(j,2)+l*b)**2+&
+                               (mod((i/a), b)+1 -seeds(j,2)-l*b)**2 + &
-                     (mod(((i-1)/(a*b)), c) +1-seeds(j,3)+k*c)**2)
+                           (mod((i/(a*b)), c)+1 -seeds(j,3)-k*c)**2)
             if (myDistance < minDistance) then
               minDistance = myDistance
-              grainMap(i) = j
+              theGrain = j
             end if
           end do
         end do
       end do
     end do
-    write(20, format1), grainMap(i)
+    grainCheck(theGrain) = .true.
+    write(20, trim(format1)), theGrain
+    write(21, trim(format2)), grainEuler(theGrain,1), grainEuler(theGrain,2), grainEuler(theGrain,3), &
+                              mod(i, a)+1, mod((i/a), b)+1, mod((i/(a*b)), c)+1, &
+                              theGrain, '   1'
   end do
   close(20)
-  print*, 'voronoi tesselation finished'
+  close(21)
-
+  print*, 'voronoi tesselation done.'
-  open(20, file = ((trim(output_name))//'.spectral'))
+  if (all(grainCheck)) then
-  format1 = '(3(tr2, f6.2), 3(I10), I10, a)'
+    print*, 'all grains mapped!'
-  do i = 1, a*b*c
+  else
-    j = grainMap(i)
+    print*, 'only',count(grainCheck),'grains mapped!'
-    write(20, trim(format1)), grainEuler(j,1), grainEuler(j,2), grainEuler(j,3), &
+  endif
-                           &mod((i-1), a)+1, mod(((i-1)/a), b)+1, mod(((i-1)/(a*b)), c)+1, &
-                           &j, '   1'
-  end do
-  print*, 'geometry files are written out'
  
 end program voronoi