changed format of linearODF file to be more descriptive, essentially TSL OIM format with header and space separated keys
This commit is contained in:
Martin Diehl
parent
1b9595d012
commit
97aba96ff8
147
code/IO.f90
147
code/IO.f90
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@ -562,6 +562,8 @@ logical function IO_abaqus_hasNoPart(fileUnit)
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!> @brief hybrid IA sampling of ODFfile
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!--------------------------------------------------------------------------------------------------
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function IO_hybridIA(Nast,ODFfileName)
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use prec, only: &
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tol_math_check
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implicit none
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integer(pInt), intent(in) :: Nast !< number of samples?
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@ -575,29 +577,26 @@ function IO_hybridIA(Nast,ODFfileName)
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integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2
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integer(pInt), dimension(1_pInt + 7_pInt*2_pInt) :: positions
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integer(pInt), dimension(3) :: steps
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integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction
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integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located
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integer(pInt), dimension(:), allocatable :: binSet
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real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd
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real(pReal), dimension(3) :: limits, &
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deltas
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real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles
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real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction
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eulers !< euler angles when reading from file
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real(pReal), dimension(:,:,:), allocatable :: dV_V
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character(len=1024) :: line, keyword
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logical :: gotLimit, gotDelta
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character(len=65536) :: line, keyword
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integer(pInt) :: headerLength
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integer(pInt), parameter :: FILEUNIT = 999_pInt
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gotLimit = .false.
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gotDelta = .false.
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IO_hybridIA = -1.0_pReal ! initialize return value for case of error
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center = -1.0_pReal
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headerLength = 0_pInt
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IO_hybridIA = 0.0_pReal ! initialize return value for case of error
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write(6,'(/,a,/)',advance='no') ' Using linear ODF file:'//trim(ODFfileName)
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!--------------------------------------------------------------------------------------------------
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! parse header of ODF file
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call IO_open_file(FILEUNIT,ODFfileName)
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read(FILEUNIT,'(a1024)') line
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headerLength = 0_pInt
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line=IO_read(FILEUNIT)
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positions = IO_stringPos(line,7_pInt)
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keyword = IO_lc(IO_StringValue(line,positions,2_pInt,.true.))
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if (keyword(1:4) == 'head') then
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@ -606,64 +605,88 @@ function IO_hybridIA(Nast,ODFfileName)
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call IO_error(error_ID=156_pInt, ext_msg='no header found')
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endif
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call IO_checkAndRewind(FILEUNIT)
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do i = 1_pInt, headerLength
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read(FILEUNIT,'(a1024)') line
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positions = IO_stringPos(line,7_pInt)
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select case ( IO_lc(IO_StringValue(line,positions,1_pInt,.true.)) )
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case ('limit')
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gotLimit = .true.
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do j = 2_pInt,6_pInt,2_pInt
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select case (IO_lc(IO_stringValue(line,positions,j)))
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case('phi1')
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limits(1) = IO_floatValue(line,positions,j+1_pInt)
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case('phi')
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limits(2) = IO_floatValue(line,positions,j+1_pInt)
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case('phi2')
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limits(3) = IO_floatValue(line,positions,j+1_pInt)
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end select
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enddo
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limits = limits*INRAD
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case ('delta')
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gotDelta = .true.
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do j = 2_pInt,6_pInt,2_pInt
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select case (IO_lc(IO_stringValue(line,positions,j)))
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case('phi1')
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deltas(1) = IO_floatValue(line,positions,j+1_pInt)
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case('phi')
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deltas(2) = IO_floatValue(line,positions,j+1_pInt)
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case('phi2')
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deltas(3) = IO_floatValue(line,positions,j+1_pInt)
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end select
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enddo
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deltas = deltas*INRAD
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case ('centration')
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if (IO_lc(IO_stringValue(line,positions,2_pInt)) == 'cell') center = 0.5_pReal
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if (IO_lc(IO_stringValue(line,positions,2_pInt)) == 'vertex') center = 0.0_pReal
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!--------------------------------------------------------------------------------------------------
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! figure out columns containing data
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do i = 1_pInt, headerLength-1_pInt
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line=IO_read(FILEUNIT)
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enddo
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columns = 0_pInt
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positions = IO_stringPos(line,7_pInt)
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do i = 1_pInt, positions(1)
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select case ( IO_lc(IO_StringValue(line,positions,i,.true.)) )
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case ('phi1')
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columns(1) = i
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case ('phi')
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columns(2) = i
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case ('phi2')
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columns(3) = i
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case ('intensity')
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columns(4) = i
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end select
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enddo
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if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header')
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!--------------------------------------------------------------------------------------------------
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! determine limits, number of steps and step size
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limits(1,1:3) = 720.0_pReal
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limits(2,1:3) = 0.0_pReal
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steps = 0_pInt
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line=IO_read(FILEUNIT)
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do while (trim(line) /= IO_EOF)
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positions = IO_stringPos(line,7_pInt)
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eulers=[IO_floatValue(line,positions,columns(1)),&
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IO_floatValue(line,positions,columns(2)),&
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IO_floatValue(line,positions,columns(3))]
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steps = steps + merge(1,0,eulers>limits(2,1:3))
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limits(1,1:3) = min(limits(1,1:3),eulers)
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limits(2,1:3) = max(limits(2,1:3),eulers)
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line=IO_read(FILEUNIT)
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enddo
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deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal)
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write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3)
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write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3)
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write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas
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limits = limits*INRAD
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deltas = deltas*INRAD
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if (all(abs(limits(1,1:3)) < tol_math_check)) then
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write(6,'(/,a,/)',advance='no') ' assuming vertex centered data'
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center = 0.0_pReal ! no need to shift
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if (any(mod(int(limits(2,1:3),pInt),90)==0)) &
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call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary')
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else
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write(6,'(/,a,/)',advance='no') ' assuming cell centered data'
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center = 0.5_pReal ! shift data by half of a bin
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endif
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if (.not. gotLimit) &
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call IO_error(error_ID = 156_pInt, ext_msg='no limit information found')
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if (.not. gotDelta) &
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call IO_error(error_ID = 156_pInt, ext_msg='no delta information found')
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if (center < 0.0_pReal) &
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call IO_error(error_ID = 156_pInt, ext_msg='no centration information found')
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if (any(limits<=0.0_pReal)) &
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call IO_error(error_ID = 156_pInt, ext_msg='invalid limits')
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if (any(deltas<=0.0_pReal)) &
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call IO_error(error_ID = 156_pInt, ext_msg='invalid deltas')
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steps = nint(limits/deltas,pInt)
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!--------------------------------------------------------------------------------------------------
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! read in data
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allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal)
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sum_dV_V = 0.0_pReal
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dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal)
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NnonZero = 0_pInt
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call IO_checkAndRewind(FILEUNIT) ! forward
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do i = 1_pInt, headerLength
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line=IO_read(FILEUNIT)
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enddo
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do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3)
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read(FILEUNIT,'(a1024)') line
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positions = IO_stringPos(line,7_pInt)
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prob = IO_floatValue(line,positions,1)
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line=IO_read(FILEUNIT)
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positions = IO_stringPos(line,7_pInt)
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eulers=[IO_floatValue(line,positions,columns(1)),& ! read in again for consistency check only
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IO_floatValue(line,positions,columns(2)),&
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IO_floatValue(line,positions,columns(3))]*INRAD
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if (any(abs((real([phi1,phi,phi2],pReal)-1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast)
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call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order')
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prob = IO_floatValue(line,positions,columns(4))
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if (prob > 0.0_pReal) then
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NnonZero = NnonZero+1_pInt
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sum_dV_V = sum_dV_V+prob
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