rewrote voronoi tessellation. the VE generation is now divided into two parts:
-generation of random positions (in a 1x1x1 parameter space) and random angels -actual voronoi tessellation for the generation of the positions, a resolution can be specified to ensure that the tessellation works at that resolution. The tessellation will always work on larger resolutions but not necessarily at smaller ones.
This commit is contained in:
Martin Diehl
parent
5990d94ca3
commit
52f06009be
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@ -1,237 +0,0 @@
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program voronoi
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use prec, only: pReal, pInt
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implicit none
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logical, dimension(:), allocatable :: seedmap
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character(len=1024) name, format, format2, N_Digits
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character choice
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integer(pInt) a, b, c, ab, abc, abc_Red, N_Seeds, seedPoint, minDistance, myDistance, i, j, k, l, m
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integer(pInt), dimension(:), allocatable :: seeds, grainMap, visual_Case
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integer(pInt) coordinates(3)
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real(pReal), dimension(:), allocatable :: grainEuler
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real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
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real(pReal) randomSeed
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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*, ''
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print*, 'generates:'
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print*, ' * geom file "_GIVEN_NAME_.geom": Geometrical information for solver'
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print*, ' * material file "material.config": Orientation information for solver'
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print*, ' * "_GIVEN_NAME_.spectral": combined information for solver'
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print*, 'optional output:'
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print*, ' * view file "_GIVEN_NAME_2D.msh": Information for visualization in gmsh'
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print*, ' * view file "_GIVEN_NAME_3D.msh": Information for visualization in gmsh'
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print*, ''
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print*, 'hints:'
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print*, ' * a+b+c should not exeed 30'
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print*, ' * file extension is added to given name'
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print*, ''
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write(*, '(A)', advance = 'NO') 'Please enter value for a: '
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read(*, *), a
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write(*, '(A)', advance = 'NO') 'Please enter value for b: '
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read(*, *), b
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write(*, '(A)', advance = 'NO') 'Please enter value for c: '
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read(*, *), c
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write(*, '(A)', advance = 'NO') 'Please enter No. of Grains: '
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read(*, *), N_Seeds
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write(*, '(A)', advance = 'NO') 'Please enter name of geometry file: '
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read(*, *), name
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write(*, '(A)', advance = 'NO') 'Should the visualization files be generated (y/n)? '
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read(*, *), choice
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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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allocate(grainEuler(3*N_Seeds))
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!write material.config header and add a microstructure entry for every grain
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open(20, file = trim(name)//('_material.config'))
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write(20, '(A)'), '<microstructure>'
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format = '(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(format)), '[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 = '(A, F10.6, A, F10.6, A, F10.6, A)'
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write(20, '(/, A)'), '<texture>'
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do i = 1, N_Seeds
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call random_number(grainEuler(i*3 -2))
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call random_number(grainEuler(i*3 -1))
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call random_number(grainEuler(i*3 -0))
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grainEuler(i*3 -2) = (grainEuler(i*3 -2))*360
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grainEuler(i*3 -1) = acos(2.0_pReal*(grainEuler(i*3 -1))-1.0_pReal)*180/pi
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grainEuler(i*3 -0) = grainEuler(i*3)*360
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write(20, trim(format)), '[Grain', i, ']'
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write(20, trim(format2)), '(gauss) phi1 ', grainEuler(i*3-2), ' Phi ', grainEuler(i*3-1), &
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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 file is written out'
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!write header of geom file, should be done before the following change of variables
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open(20, file = ((trim(name))//'.geom'))
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write(20, '(A, I2, A, I2, A, I2)'), 'resolution a ', 2**a, ' b ', 2**b, ' c ', 2**c
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write(20, '(A, I4, A, I4, A, I4)'), 'dimension x ', 2**a, ' y ', 2**b, ' z ', 2**c
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write(20, '(A)'), 'homogenization 1'
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!initialize varibles, change values of some numbers for faster execution
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a = 2**a
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b = 2**b
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c = 2**c
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ab = a * b
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abc = a * b * c
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abc_Red = abc -(a-1)*(b-1)*(c-1)
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format = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'
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allocate (seedmap(abc)); seedmap = .false.
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allocate (seeds(3*N_Seeds))
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allocate (grainMap(abc))
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allocate (visual_Case(abc_Red))
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k = 1
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!build array with x-y-z-coordinates of each point
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do i = 1, abc
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coordinates(1) = mod((i-1), a) +1
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coordinates(2) = mod(((i-1)/a), b) +1
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coordinates(3) = mod(((i-1)/(ab)), c) +1
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if((coordinates(3) == 1)) then
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visual_Case(k) = i
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k = k +1
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else
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if((coordinates(2) == 1)) then
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visual_Case(k) = i
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k = k +1
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else
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if((coordinates(1) == 1)) then
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visual_Case(k) = i
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k = k +1
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else
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end if
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end if
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end if
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end do
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!generate random position of seeds for voronoi tessellation
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i = 0
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do while (i /= N_Seeds)
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call random_number(randomSeed)
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seedpoint = int(randomSeed*(abc))
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if (.not.seedmap(seedpoint+1)) then
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seedmap(seedpoint+1) = .true.
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seeds(i*3+1) = (mod((seedpoint), a)+1)
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seeds(i*3+2) = (mod(((seedpoint)/a), b)+1)
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seeds(i*3+3) = (mod(((seedpoint)/(ab)), c)+1)
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i = i +1
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else
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end if
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end do
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! perform voronoi tessellation and write result to file and to grainMap
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do i = 1, abc
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minDistance = a*a+b*b+c*c
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do j = 1, N_Seeds
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do k = -1, 1
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do l = -1, 1
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do m = -1, 1
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myDistance = ((mod((i-1), a) +1-seeds(j*3-2)+m*a)**2+&
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(mod(((i-1)/a), b) +1-seeds(j*3-1)+l*b)**2+&
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(mod(((i-1)/(ab)), c) +1-seeds(j*3-0)+k*c)**2)
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if (myDistance < minDistance) then
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minDistance = myDistance
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grainMap(i) = j
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end if
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end do
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end do
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end do
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end do
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write(20, format), grainMap(i)
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end do
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close(20)
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print*, 'voronoi tesselation finished'
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open(20, file = ((trim(name))//'.spectral'))
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format = '(tr2, f6.2, tr2, f6.2, tr2, f6.2, I10, I10, I10, I10, a)'
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do i = 1, abc
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j = grainMap(i)
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write(20, trim(format)), grainEuler(j*3-2), grainEuler(j*3-1), grainEuler(j*3), &
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&mod((i-1), a)+1, mod(((i-1)/a), b)+1, mod(((i-1)/(ab)), c)+1, &
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&j, ' 1'
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end do
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print*, 'geometry files are written out'
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!write visualization files (in case wanted)
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if (choice == 'y' .or. choice == 'Y') then
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print*, 'for more information on gmsh: http://geuz.org/gmsh/'
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! write full geometry out
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open(20, file = ((trim(name))//'_3Dfull.msh'))
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write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', abc
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do i = 1, abc
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write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
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end do
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write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', abc
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do i = 1, abc
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write(20, '(I10, A, I10, A, I10)'), i, ' 15 2', grainMap(i), ' 2', i
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end do
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write(20, '(A)'), '$EndElements'
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write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', '1', &
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&'0.0', '3', '0', '1', abc
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do i = 1, abc
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write(20, '(I10, tr2, I10)'), i, grainMap(i)
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end do
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write(20, *), '$EndNodeData'
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close(20)
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! write 3d skin out
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open(20, file = ((trim(name))//'_3D.msh'))
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write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', abc_Red
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do j = 1, abc_Red
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i = visual_Case(j)
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write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
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end do
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write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', abc_Red
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do j = 1, abc_Red
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i = visual_case(j)
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write(20, '(I10, A, I10, A, I10)'), i, ' 15 2', grainMap(i), ' 2', i
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end do
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write(20, '(A)'), '$EndElements'
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write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', '1', &
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&'0.0', '3', '0', '1', abc_Red
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do j = 1, abc_Red
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i = visual_case(j)
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write(20, '(I10, tr2, I10)'), i, grainMap(i)
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end do
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write(20, *), '$EndNodeData'
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close(20)
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! write 2d geometry out
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open(20, file = ((trim(name))//'_2D.msh'))
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write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', ab
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do i = 1, ab
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write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
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end do
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write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', ab
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do j = 1, ab
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write(20, '(I10, A, I10, A, I10)'), j, ' 15 2', grainMap(j), ' 2', j
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end do
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write(20, '(A)'), '$EndElements'
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write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', &
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&'1', '0.0', '3', '0', '1', ab
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do j = 1, ab
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write(20, '(I10, tr2, I10)'), j, grainMap(j)
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end do
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write(20, *), '$EndNodeData'
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close(20)
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print*, 'visualization files are written out'
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else
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end if
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end program voronoi
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@ -0,0 +1,80 @@
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!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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program voronoi
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use prec, only: pReal, pInt
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implicit none
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logical, dimension(:), allocatable :: seedmap
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character(len=1024) filename
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integer(pInt) a, b, c, N_Seeds, seedpoint, i
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real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
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real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
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real(pReal) randomSeed
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print*, '******************************************************************************'
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print*, ' Voronoi description file'
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print*, '******************************************************************************'
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print*, ''
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print*, 'generates:'
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print*, ' * description file "_GIVEN_NAME_.seeds":'
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print*, ''
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write(*, '(A)', advance = 'NO') 'Please enter value for first resolution: '
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read(*, *), a
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write(*, '(A)', advance = 'NO') 'Please enter value for second resolution: '
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read(*, *), b
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write(*, '(A)', advance = 'NO') 'Please enter value for third resolution: '
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read(*, *), c
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write(*, '(A)', advance = 'NO') 'Please enter No. of Grains: '
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read(*, *), N_Seeds
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write(*, '(A)', advance = 'NO') 'Please enter name of geometry file: '
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read(*, *), filename
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allocate (seedmap(a*b*c)); seedmap = .false. ! logical to store information which position is occupied by a voronoi seed
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allocate (seeds(N_Seeds,3))
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allocate (grainEuler(N_Seeds,3))
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do i=1, N_Seeds
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call random_number(grainEuler(i,1))
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call random_number(grainEuler(i,2))
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call random_number(grainEuler(i,3))
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grainEuler(i,1) = (grainEuler(i,1))*360
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grainEuler(i,2) = acos(2.0_pReal*(grainEuler(i,2))-1.0_pReal)*180/pi
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grainEuler(i,3) = grainEuler(i,3)*360
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enddo
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!generate random position of seeds for voronoi tessellation
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i = 0
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do while (i /= N_Seeds)
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call random_number(randomSeed)
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seedpoint = int(randomSeed*(a*b*c))
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if (.not.seedmap(seedpoint+1)) then
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seedmap(seedpoint+1) = .true.
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i = i + 1
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seeds(i,1) = real(mod((seedpoint), a)+1)/real(a, pReal)
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seeds(i,2) = real(mod(((seedpoint)/a), b)+1)/real(b,pReal)
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seeds(i,3) = real(mod(((seedpoint)/(a*b)), c)+1)/real(c,pReal)
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end if
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end do
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! write description file with orientation and position of each seed
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open(21, file = trim(filename)//('.seeds'))
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write(21, '(A, I2, A, I2, A, I2)'), 'resolution a ', a, ' b ', b, ' c ', c
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write(21,*), 'grains', N_Seeds
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do i = 1, n_Seeds
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write(21, '(6(F10.6,tr2))'),seeds(i,1), seeds(i,2), seeds(i,3),&
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grainEuler(i,1), grainEuler(i,2), grainEuler(i,3)
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end do
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close(21)
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end program voronoi
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@ -1,218 +0,0 @@
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program voronoi
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use prec, only: pReal, pInt
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implicit none
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logical seed
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character(len=1024) name, format, format2, N_Digits
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character choice
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integer(pInt) a, b, c, ab, abc, abc_Red, N_Seeds, seedPoint, minDistance, myDistance, i, j, k, l, m, n, z
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integer(pInt), dimension(:), allocatable :: seedmap, grainMap, visual_Case
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integer(pInt) coordinates(3)
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real(pReal) grainEuler(3)
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real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
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real(pReal) randomSeed
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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*, ''
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print*, 'generates:'
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print*, ' * geometry file "_GIVEN_NAME_.geom": Geometrical information for solver'
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print*, ' * material file "material.config": Orientation information for solver'
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print*, 'optional output:'
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print*, ' * view file "_GIVEN_NAME_2D.msh": Information for visualization in gmsh'
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print*, ' * view file "_GIVEN_NAME_3D.msh": Information for visualization in gmsh'
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print*, ''
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print*, 'hints:'
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print*, ' * a+b+c should not exeed 30'
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print*, ' * file extension is added to given name'
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print*, ''
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write(*, '(A)', advance = 'NO') 'Please enter value for a: '
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read(*, *), a
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write(*, '(A)', advance = 'NO') 'Please enter value for b: '
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read(*, *), b
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write(*, '(A)', advance = 'NO') 'Please enter value for c: '
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read(*, *), c
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write(*, '(A)', advance = 'NO') 'Please enter No. of Grains: '
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read(*, *), N_Seeds
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write(*, '(A)', advance = 'NO') 'Please enter name of geometry file: '
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read(*, *), name
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write(*, '(A)', advance = 'NO') 'Should the visualization files be generated (y/n)? '
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read(*, *), choice
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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(name)//('_material.config'))
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write(20, '(A)'), '<microstructure>'
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format = '(A, I'//trim(N_Digits)//'.'//trim(N_Digits)//', A)'
|
||||
format2 = '(A, I'//trim(N_Digits)//', A)'
|
||||
do i = 1, N_Seeds
|
||||
write(20, trim(format)), '[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 = '(A, F10.6, A, F10.6, A, F10.6, A)'
|
||||
write(20, '(/, A)'), '<texture>'
|
||||
do i = 1, N_Seeds
|
||||
call random_number(grainEuler(1))
|
||||
call random_number(grainEuler(2))
|
||||
call random_number(grainEuler(3))
|
||||
grainEuler(1) = (grainEuler(1)) * 360
|
||||
grainEuler(2) = acos(2.0_pReal * (grainEuler(2))-1.0_pReal) * 180/pi
|
||||
grainEuler(3) = grainEuler(3) * 360
|
||||
write(20, trim(format)), '[Grain', i, ']'
|
||||
write(20, trim(format2)), '(gauss) phi1 ', grainEuler(1), ' Phi ', grainEuler(2), &
|
||||
&' Phi2 ', grainEuler(3), ' scatter 0 fraction 1'
|
||||
end do
|
||||
close(20)
|
||||
print*, ''
|
||||
print*, 'material config file is written out'
|
||||
|
||||
!write header of geometry file, should be done before the following change of variables
|
||||
open(20, file = ((trim(name))//'.geom'))
|
||||
write(20, '(A, I2, A, I2, A, I2)'), 'resolution a ', 2**a, ' b ', 2**b, ' c ', 2**c
|
||||
write(20, '(A, I4, A, I4, A, I4)'), 'dimension x ', 2**a, ' y ', 2**b, ' z ', 2**c
|
||||
write(20, '(A)'), 'homogenization 1'
|
||||
|
||||
!initialize varibles, change values of some numbers for faster execution
|
||||
a = 2**a
|
||||
b = 2**b
|
||||
c = 2**c
|
||||
ab = a * b
|
||||
abc = a * b * c
|
||||
abc_Red = abc -(a-1)*(b-1)*(c-1)
|
||||
format = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'
|
||||
|
||||
allocate (seedmap(3 * N_Seeds)); seedmap = 0
|
||||
allocate (grainMap(abc_Red))
|
||||
allocate (visual_Case(abc_Red))
|
||||
k = 1
|
||||
|
||||
!build array with x-y-z-coordinates of each point
|
||||
do i = 1, abc
|
||||
coordinates(1) = mod((i-1), a) +1
|
||||
coordinates(2) = mod(((i-1)/a), b) +1
|
||||
coordinates(3) = mod(((i-1)/(ab)), c) +1
|
||||
if((coordinates(3) == 1)) then
|
||||
visual_Case(k) = i
|
||||
k = k +1
|
||||
else
|
||||
if((coordinates(2) == 1)) then
|
||||
visual_Case(k) = i
|
||||
k = k +1
|
||||
else
|
||||
if((coordinates(1) == 1)) then
|
||||
visual_Case(k) = i
|
||||
k = k +1
|
||||
else
|
||||
end if
|
||||
end if
|
||||
end if
|
||||
end do
|
||||
|
||||
!generate random position of seeds for voronoi tessellation
|
||||
i = 0
|
||||
do while (i /= N_Seeds)
|
||||
call random_number(randomSeed)
|
||||
seedpoint = int(randomSeed*(abc))
|
||||
seed = .false.
|
||||
coordinates(1) = mod((seedpoint), a) +1
|
||||
coordinates(2) = mod(((seedpoint)/a), b) +1
|
||||
coordinates(3) = mod(((seedpoint)/(ab)), c) +1
|
||||
do j = 1, i
|
||||
if((coordinates(1) == seedmap(j*3 -2)) .and. &
|
||||
&(coordinates(2) == seedmap(j*3 -1)) .and. &
|
||||
&(coordinates(3) == seedmap(j*3 -0))) seed = .true.
|
||||
end do
|
||||
if (.not.seed) then
|
||||
seedmap(i*3 +1) = coordinates(1)
|
||||
seedmap(i*3 +2) = coordinates(2)
|
||||
seedmap(i*3 +3) = coordinates(3)
|
||||
i = i +1
|
||||
end if
|
||||
end do
|
||||
|
||||
! perform voronoi tessellation and write result to file and to grainMap
|
||||
n = 1
|
||||
do i = 1, abc
|
||||
minDistance = a*a+b*b+c*c
|
||||
do j = 1, N_Seeds
|
||||
do k = -1, 1
|
||||
do l = -1, 1
|
||||
do m = -1, 1
|
||||
myDistance = ((mod((i-1), a) +1-seedmap(j*3-2)+m*a)**2+&
|
||||
(mod(((i-1)/a), b) +1-seedmap(j*3-1)+l*b)**2+&
|
||||
(mod(((i-1)/(ab)), c) +1-seedmap(j*3-0)+k*c)**2)
|
||||
if (myDistance < minDistance) then
|
||||
minDistance = myDistance
|
||||
z = j
|
||||
end if
|
||||
end do
|
||||
end do
|
||||
end do
|
||||
end do
|
||||
write(20, format), z
|
||||
do k = 1, abc_Red
|
||||
if(visual_Case(k) == i) then
|
||||
grainMap(n) = z
|
||||
n = n +1
|
||||
end if
|
||||
end do
|
||||
end do
|
||||
close(20)
|
||||
print*, 'voronoi tesselation finished'
|
||||
print*, 'geometry file is written out'
|
||||
|
||||
!write visualization files (in case wanted)
|
||||
if (choice == 'y' .or. choice == 'Y') then
|
||||
print*, 'for more information on gmsh: http://geuz.org/gmsh/'
|
||||
|
||||
! write full geometry out
|
||||
open(20, file = ((trim(name))//'_3D.msh'))
|
||||
write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', abc_Red
|
||||
do j = 1, abc_Red
|
||||
i = visual_Case(j)
|
||||
write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
|
||||
end do
|
||||
write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', abc_Red
|
||||
do j = 1, abc_Red
|
||||
write(20, '(I10, A, I10, A, I10)'), visual_Case(j), ' 15 2', grainMap(j), ' 2', visual_Case(j)
|
||||
end do
|
||||
write(20, '(A)'), '$EndElements'
|
||||
write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', '1', &
|
||||
&'0.0', '3', '0', '1', abc_Red
|
||||
do j = 1, abc_Red
|
||||
write(20, '(I10, tr2, I10)'), visual_Case(j), grainMap(j)
|
||||
end do
|
||||
write(20, *), '$EndNodeData'
|
||||
close(20)
|
||||
|
||||
! write 2d geometry out
|
||||
open(20, file = ((trim(name))//'_2D.msh'))
|
||||
write(20, '(A, /, A, /, A, /, A, /, I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', ab
|
||||
do i = 1, ab
|
||||
write(20, '(I10, I10, I10, I10)'), i, mod((i-1), a) +1, mod(((i-1)/a), b) +1, mod(((i-1)/(ab)), c) +1
|
||||
end do
|
||||
write(20, '(A, /, A, /, I10)'), '$EndNodes', '$Elements', ab
|
||||
do j = 1, ab
|
||||
write(20, '(I10, A, I10, A, I10)'), j, ' 15 2', grainMap(j), ' 2', j
|
||||
end do
|
||||
write(20, '(A)'), '$EndElements'
|
||||
write(20, '(A, /, A, /, A, /, A, /, A, /, A, /, A, /, A, /, I10)'), '$NodeData', '1', '"Grain No."', &
|
||||
&'1', '0.0', '3', '0', '1', ab
|
||||
do j = 1, ab
|
||||
write(20, '(I10, tr2, I10)'), j, grainMap(j)
|
||||
end do
|
||||
write(20, *), '$EndNodeData'
|
||||
close(20)
|
||||
print*, 'visualization files are written out'
|
||||
else
|
||||
end if
|
||||
end program voronoi
|
||||
|
|
@ -0,0 +1,322 @@
|
|||
!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, gotResolution
|
||||
character(len=1024) input_name, output_name, format1, format2, N_Digits, line
|
||||
integer(pInt) a, b, c, N_Seeds, seedPoint, minDistance, myDistance, i, j, k, l, m
|
||||
integer(pInt), dimension(:), allocatable :: grainMap
|
||||
integer(pInt) coordinates(3)
|
||||
integer(pInt), dimension (15) :: posGeom
|
||||
real(pReal), dimension(:,:), allocatable :: grainEuler, seeds
|
||||
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*, ' * material file "material.config": Orientation information for solver'
|
||||
print*, ' * "_GIVEN_NAME_.spectral": combined information for solver'
|
||||
print*, ''
|
||||
write(*, '(A)', advance = 'NO') 'Enter filename of input file (extension .seeds): '
|
||||
read(*, *), input_name
|
||||
write(*, '(A)', advance = 'NO') 'Enter filename of output file: '
|
||||
read(*, *), output_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')
|
||||
a = IO_intValue(line,posGeom,i+1)
|
||||
case('b')
|
||||
b = IO_intValue(line,posGeom,i+1)
|
||||
case('c')
|
||||
c = 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))
|
||||
|
||||
print*, 'resolution: ' ,a,b,c
|
||||
write(*, '(A)', advance = 'NO') 'Enter scaling factor: '
|
||||
read(*, *), scaling
|
||||
|
||||
a = int(a*scaling)
|
||||
b = int(b*scaling)
|
||||
c = int(c*scaling)
|
||||
|
||||
do i=1, N_seeds
|
||||
read(20,'(a1024)') line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
posGeom = IO_stringPos(line,12)
|
||||
Seeds(i,1)=IO_floatValue(line,posGeom,1)
|
||||
Seeds(i,2)=IO_floatValue(line,posGeom,2)
|
||||
Seeds(i,3)=IO_floatValue(line,posGeom,3)
|
||||
grainEuler(i,1)=IO_floatValue(line,posGeom,4)
|
||||
grainEuler(i,2)=IO_floatValue(line,posGeom,5)
|
||||
grainEuler(i,3)=IO_floatValue(line,posGeom,6)
|
||||
enddo
|
||||
close(20)
|
||||
|
||||
seeds(:,1) = seeds(:,1)*real(a, pReal)
|
||||
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
|
||||
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 fraction 1'
|
||||
end do
|
||||
close(20)
|
||||
print*, ''
|
||||
print*, 'material config file is written out'
|
||||
|
||||
!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
|
||||
write(20, '(A, I4, A, I4, A, I4)'), 'dimension x ', a, ' y ', b, ' z ', c
|
||||
write(20, '(A)'), 'homogenization 1'
|
||||
|
||||
!initialize varibles, change values of some numbers for faster execution
|
||||
format1 = '(I'//trim(N_Digits)//'.'//trim(N_Digits)//')'
|
||||
|
||||
|
||||
! perform voronoi tessellation and write result to file and to grainMap
|
||||
do i = 1, a*b*c
|
||||
minDistance = a*a+b*b+c*c
|
||||
do j = 1, N_Seeds
|
||||
do k = -1, 1
|
||||
do l = -1, 1
|
||||
do m = -1, 1
|
||||
myDistance = ((mod((i-1), a) +1-seeds(j,1)+m*a)**2+&
|
||||
(mod(((i-1)/a), b) +1-seeds(j,2)+l*b)**2+&
|
||||
(mod(((i-1)/(a*b)), c) +1-seeds(j,3)+k*c)**2)
|
||||
if (myDistance < minDistance) then
|
||||
minDistance = myDistance
|
||||
grainMap(i) = j
|
||||
end if
|
||||
end do
|
||||
end do
|
||||
end do
|
||||
end do
|
||||
write(20, format1), grainMap(i)
|
||||
end do
|
||||
close(20)
|
||||
print*, 'voronoi tesselation finished'
|
||||
|
||||
open(20, file = ((trim(output_name))//'.spectral'))
|
||||
format1 = '(3(tr2, f6.2), 3(I10), I10, a)'
|
||||
do i = 1, a*b*c
|
||||
j = grainMap(i)
|
||||
write(20, trim(format1)), grainEuler(j,1), grainEuler(j,2), grainEuler(j,3), &
|
||||
&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
|
||||
Loading…
Reference in New Issue