347 lines
12 KiB
Fortran
347 lines
12 KiB
Fortran
!prec.f90 407 2009-08-31 15:09:15Z MPIE\f.roters
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!##############################################################
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MODULE prec
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!##############################################################
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implicit none
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! *** Precision of real and integer variables ***
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integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
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integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
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integer, parameter :: pLongInt = 8 ! should be 64bit
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END MODULE prec
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!IO.f90 693 2010-11-04 18:18:01Z MPIE\c.kords
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!##############################################################
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MODULE IO
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!##############################################################
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CONTAINS
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!********************************************************************
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! identifies lines without content
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!********************************************************************
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pure function IO_isBlank (line)
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use prec, only: pInt
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implicit none
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character(len=*), intent(in) :: line
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character(len=*), parameter :: blank = achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
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character(len=*), parameter :: comment = achar(35) ! comment id '#'
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integer(pInt) posNonBlank, posComment
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logical IO_isBlank
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posNonBlank = verify(line,blank)
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posComment = scan(line,comment)
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IO_isBlank = posNonBlank == 0 .or. posNonBlank == posComment
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return
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endfunction
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!********************************************************************
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! read string value at pos from line
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!********************************************************************
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pure function IO_stringValue (line,positions,pos)
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use prec, only: pReal,pInt
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implicit none
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character(len=*), intent(in) :: line
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integer(pInt), intent(in) :: positions(*),pos
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character(len=1+positions(pos*2+1)-positions(pos*2)) IO_stringValue
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if (positions(1) < pos) then
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IO_stringValue = ''
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else
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IO_stringValue = line(positions(pos*2):positions(pos*2+1))
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endif
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return
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endfunction
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!********************************************************************
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! read float value at pos from line
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!********************************************************************
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pure function IO_floatValue (line,positions,pos)
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use prec, only: pReal,pInt
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implicit none
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character(len=*), intent(in) :: line
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integer(pInt), intent(in) :: positions(*),pos
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real(pReal) IO_floatValue
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if (positions(1) < pos) then
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IO_floatValue = 0.0_pReal
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else
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read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_floatValue
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endif
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return
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100 IO_floatValue = huge(1.0_pReal)
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return
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endfunction
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!********************************************************************
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! read int value at pos from line
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!********************************************************************
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pure function IO_intValue (line,positions,pos)
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use prec, only: pReal,pInt
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implicit none
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character(len=*), intent(in) :: line
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integer(pInt), intent(in) :: positions(*),pos
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integer(pInt) IO_intValue
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if (positions(1) < pos) then
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IO_intValue = 0_pInt
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else
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read(UNIT=line(positions(pos*2):positions(pos*2+1)),ERR=100,FMT=*) IO_intValue
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endif
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return
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100 IO_intValue = huge(1_pInt)
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return
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endfunction
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!********************************************************************
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! change character in line to lower case
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!********************************************************************
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pure function IO_lc (line)
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use prec, only: pInt
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implicit none
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character (len=*), intent(in) :: line
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character (len=len(line)) IO_lc
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integer(pInt) i
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IO_lc = line
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do i=1,len(line)
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if(64<iachar(line(i:i)) .and. iachar(line(i:i))<91) IO_lc(i:i)=achar(iachar(line(i:i))+32)
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enddo
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return
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endfunction
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!********************************************************************
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! locate at most N space-separated parts in line
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! return array containing number of parts in line and
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! the left/right positions of at most N to be used by IO_xxxVal
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!********************************************************************
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! pure function IO_stringPos (line,N)
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function IO_stringPos (line,N)
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use prec, only: pReal,pInt
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implicit none
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character(len=*), intent(in) :: line
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character(len=*), parameter :: sep=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
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integer(pInt), intent(in) :: N
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integer(pInt) left,right
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integer(pInt) IO_stringPos(1+N*2)
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IO_stringPos = -1
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IO_stringPos(1) = 0
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right = 0
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do while (verify(line(right+1:),sep)>0)
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left = right + verify(line(right+1:),sep)
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right = left + scan(line(left:),sep) - 2
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if ( IO_stringPos(1)<N ) then
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IO_stringPos(1+IO_stringPos(1)*2+1) = left
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IO_stringPos(1+IO_stringPos(1)*2+2) = right
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endif
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IO_stringPos(1) = IO_stringPos(1)+1
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enddo
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return
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endfunction
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END MODULE
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program voronoi
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use prec, only: pReal, pInt
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use IO
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implicit none
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logical gotN_Seeds, gotResolution
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logical, dimension(:), allocatable :: grainCheck
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character(len=1024) input_name, output_name, format1, format2, N_Digits, line, key
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integer(pInt) a, b, c, N_Seeds, theGrain, i, j, k, l, m
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integer(pInt), dimension (1+2*7) :: posGeom
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real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
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real(pReal), dimension(3) :: step,dim,delta
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real(pReal) minDist, theDist
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real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
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print*, '******************************************************************************'
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print*, ' Spectral Method Problem Set-up'
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print*, '******************************************************************************'
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print*, '$Id$'
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print*, ''
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print*, 'generates:'
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print*, ' * geom file "_OUTPUT_.geom": Geometrical information for solver'
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print*, ' * material file "material.config": Orientation information for solver'
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print*, ' * "_OUTPUT_.spectral": combined information for solver'
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print*, ''
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write(*, '(A)', advance = 'NO') 'output filename: '
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read(*, *), output_name
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write(*, '(A)', advance = 'NO') 'seed input filename (w/o extension .seeds): '
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read(*, *), input_name
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open(20, file = trim(input_name)//('.seeds'), status='old', action='read')
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rewind(20)
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do
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read(20,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posGeom = IO_stringPos(line,7)
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select case ( IO_lc(IO_StringValue(line,posGeom,1)) )
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case ('grains')
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gotN_Seeds = .true.
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N_Seeds = IO_intValue(line,posGeom,2)
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case ('resolution')
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gotResolution = .true.
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do i = 2,6,2
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select case (IO_lc(IO_stringValue(line,posGeom,i)))
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case('a')
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a = IO_intValue(line,posGeom,i+1)
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case('b')
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b = IO_intValue(line,posGeom,i+1)
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case('c')
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c = IO_intValue(line,posGeom,i+1)
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end select
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enddo
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end select
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if (gotN_Seeds .and. gotResolution) exit
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enddo
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100 allocate(grainEuler(N_Seeds,3))
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allocate(seeds(N_Seeds,3))
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allocate(grainCheck(N_Seeds))
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grainCheck = .false.
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print*, 'resolution: ' ,a,b,c
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write(*, '(A)', advance = 'NO') 'resolution in x: '
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read(*, *), a
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write(*, '(A)', advance = 'NO') 'resolution in y: '
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read(*, *), b
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write(*, '(A)', advance = 'NO') 'resolution in z: '
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read(*, *), c
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step(1) = 1.0_pReal/real(a,pReal)
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step(2) = 1.0_pReal/real(b,pReal)
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step(3) = 1.0_pReal/real(c,pReal)
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write(*, '(A)', advance = 'NO') 'size in x: '
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read(*, *), dim(1)
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write(*, '(A)', advance = 'NO') 'size in y: '
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read(*, *), dim(2)
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write(*, '(A)', advance = 'NO') 'size in z: '
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read(*, *), dim(3)
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rewind(20)
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read(20,'(a1024)') line
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posGeom = IO_stringPos(line,2)
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key = IO_stringValue(line,posGeom,2)
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if (IO_lc(key(1:4)) == 'head') then
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do i=1,IO_intValue(line,posGeom,1); read(20,'(a1024)') line; enddo
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else
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rewind(20)
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endif
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do i=1, N_seeds
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read(20,'(a1024)') line
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if (IO_isBlank(line)) cycle ! skip empty lines
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posGeom = IO_stringPos(line,6) ! split line
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do j=1,3
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seeds(i,j) = IO_floatValue(line,posGeom,j)
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grainEuler(i,j) = IO_floatValue(line,posGeom,j+3)
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enddo
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enddo
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close(20)
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! calculate No. of digits needed for name of the grains
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i = 1 + int( log10(real( N_Seeds )))
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write(N_Digits, *) i
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N_Digits = adjustl( N_Digits )
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!write material.config header and add a microstructure entry for every grain
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open(20, file = trim(output_name)//('_material.config'))
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write(20, '(A)'), '<microstructure>'
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format1 = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
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format2 = '(A, I'//trim(N_Digits)//', A)'
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do i = 1, N_Seeds
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write(20, trim(format1)), '[Grain', i, ']'
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write(20, '(A)'), 'crystallite 1'
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write(20, trim(format2)), '(constituent) phase 1 texture ', i, ' fraction 1.0'
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end do
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! get random euler angles for every grain, store them in grainEuler and write them to the material.config file
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format2 = '(6(A, F10.6))'
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write(20, '(/, A)'), '<texture>'
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do i = 1, N_Seeds
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write(20, trim(format1)), '[Grain', i, ']'
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write(20, trim(format2)), '(gauss) phi1 ', grainEuler(i,1), ' Phi ', grainEuler(i,2), &
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&' Phi2 ', grainEuler(i,3), ' scatter 0 fraction 1'
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end do
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close(20)
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print*, ''
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print*, 'material.config done.'
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!write header of geom file
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open(20, file = ((trim(output_name))//'.geom'))
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open(21, file = ((trim(output_name))//'.spectral'))
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write(20, '(A)'), '3 header'
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write(20, '(A, I8, A, I8, A, I8)'), 'resolution a ', a, ' b ', b, ' c ', c
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write(20, '(A, g15.10, A, g15.10, A, g15.10)'), 'dimension x ', dim(1), ' y ', dim(2), ' z ', dim(3)
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write(20, '(A)'), 'homogenization 1'
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format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')' ! geom format
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format2 = '(3(tr2, f6.2), 3(tr2,g10.5), I10, a)' ! spectral (Lebensohn) format
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! perform voronoi tessellation and write result to files
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do i = 0, a*b*c-1
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minDist = dim(1)*dim(1)+dim(2)*dim(2)+dim(3)*dim(3) ! diagonal of rve
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do j = 1, N_Seeds
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delta(1) = step(1)*(mod(i , a)+0.5_pReal) - seeds(j,1)
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delta(2) = step(2)*(mod(i/a , b)+0.5_pReal) - seeds(j,2)
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delta(3) = step(3)*(mod(i/a/b, c)+0.5_pReal) - seeds(j,3)
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do k = -1, 1 ! left, me, right image
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do l = -1, 1 ! front, me, back image
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do m = -1, 1 ! lower, me, upper image
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theDist = ( dim(1) * ( delta(1)-real(k,pReal) ) )**2 + &
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( dim(2) * ( delta(2)-real(l,pReal) ) )**2 + &
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( dim(3) * ( delta(3)-real(m,pReal) ) )**2
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if (theDist < minDist) then
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minDist = theDist
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theGrain = j
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endif
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enddo
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enddo
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enddo
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enddo
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grainCheck(theGrain) = .true.
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write(20, trim(format1)), theGrain
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write(21, trim(format2)), grainEuler(theGrain,1), grainEuler(theGrain,2), grainEuler(theGrain,3), &
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dim(1)*step(1)*(mod(i , a)+0.5_pReal), &
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dim(2)*step(2)*(mod(i/a , b)+0.5_pReal), &
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dim(3)*step(3)*(mod(i/a/b, c)+0.5_pReal), &
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theGrain, ' 1'
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enddo
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close(20)
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close(21)
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print*, 'voronoi tesselation done.'
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if (all(grainCheck)) then
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print*, 'all grains mapped!'
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else
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print*, 'only',count(grainCheck),'grains mapped!'
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endif
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end program voronoi
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