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EC_grid_assumed_int.f90
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EC_grid_assumed_int.f90
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!===============================================================================
! One of Andy Nowacki's Fortran utility modules for dealing with seismic
! anisotropy and other problems.
!
! Andy Nowacki <andy.nowacki@bristol.ac.uk>
!
! See the file LICENCE for licence details.
!===============================================================================
module EC_grid
!==============================================================================
! Module containing routines for manipulating regularly-spaced grids of elastic
! constants. Defines a type for them and can do various things such as load
! these structures into memory.
!
! AJN 2011/02
!
! This compatibility version always assumes that the grid coordinates are
! in integers, which simplifies reading and writing the grid.
implicit none
! Declare functions
public :: EC_grid_load
public :: EC_grid_write
! public :: EC_grid_load_bin
! public :: EC_grid_write_bin
public :: EC_grid_clone
public :: EC_grid_dump
public :: EC_grid_delete
! ** size constants
integer, parameter, private :: i4 = selected_int_kind(9) ; ! long int
integer, parameter, private :: r4 = selected_real_kind(6,37) ; ! SP
integer, parameter, private :: r8 = selected_real_kind(15,307) ; ! DP
! ** precision selector
integer, parameter, private :: rs = r8
! ** maths constants and other useful things
real(r8), parameter, private :: pi = 3.141592653589793238462643d0
integer, parameter, private :: big_p_integer = 2147483647
integer, parameter, private :: big_n_integer = -2147483647
! ** IO constants
integer, parameter, private :: lu_stdin = 5
integer, parameter, private :: lu_stdout = 6
integer, parameter, private :: lu_stderr = 0
!------------------------------------------------------------------------------
! Define the ECgrid type: assumed integer coordinates
type :: ECgrid
integer(i4) :: npts,nx,ny,nz,ix1,ix2,iy1,iy2,iz1,iz2,idx,idy,idz
real(r8),allocatable :: ecs(:,:,:,:,:)
real(r8),allocatable :: x(:),y(:),z(:)
end type ECgrid
!------------------------------------------------------------------------------
CONTAINS
!==============================================================================
subroutine EC_grid_load(ecs_file,grid,necs,quiet)
!==============================================================================
! Load a 3D grid of elastic constants into memory.
! Elastic constants should be oriented according to the grid, where
! x // 1 , y // 2 , z // 3,
! assuming a right-handed coordinate system. Later tranformations can be performed.
implicit none
type(ECgrid),intent(out) :: grid
character(len=*),intent(in) :: ecs_file
character(len=80) :: fmt
integer :: ix,iy,iz,ix1,ix2,iy1,iy2,iz1,iz2,idx,idy,idz,&
itempx,itempy,itempz,nx,ny,nz,npts,i,j,k,nec
integer,optional,intent(in) :: necs
logical,optional,intent(in) :: quiet
logical :: silent
real(rs) :: ecs_in(6,6),multiplier
real(rs) :: x,y,z, dx,dy,dz
integer :: iostatus
! Check optional arguments
if (present(necs)) then
if (necs /=21 .and. necs /= 36) stop 'EC_grid_load: nec must be 21 or 36'
nec = necs
else
nec = 36
endif
silent = .false.
if (present(quiet)) then
silent = quiet
endif
! Open file
open(20,file=ecs_file,status='old',iostat=iostatus)
if (iostatus /= 0) then
write(*,'(a,a)') 'Problem opening ECs file ',ecs_file
stop
endif
iostatus = 0
ix1 = big_p_integer ; ix2 = big_n_integer
iy1 = big_p_integer ; iy2 = big_n_integer
iz1 = big_p_integer ; iz2 = big_n_integer
npts = 0
! Read limits of data and find dimensions
do while (iostatus == 0)
read(20,fmt=*,iostat=iostatus) ix,iy,iz
if (iostatus /= 0) exit
if (ix < ix1) ix1 = ix
if (ix > ix2) ix2 = ix
if (iy < iy1) iy1 = iy
if (iy > iy2) iy2 = iy
if (iz < iz1) iz1 = iz
if (iz > iz2) iz2 = iz
npts = npts + 1
enddo
if (.not.silent) then
write(0,'(a)') '=================================='
write(0,'(a)') 'Dimensions of box are:'
write(0,'(a,2i5)') ' x: ',ix1,ix2
write(0,'(a,2i5)') ' y: ',iy1,iy2
write(0,'(a,2i5)') ' z: ',iz1,iz2
write(0,'(a)') '=================================='
endif
! Start again and work out the dimensions
rewind(20)
! Count the number of points with the same x and z as the first line.
read(20,*) itempx,itempy,itempz
ny = 1
do i=2,npts
read(20,fmt=*,iostat=iostatus) ix,iy,iz
if (ix == itempx .and. iz == itempz) ny = ny + 1
enddo
! Count the number of x at this y and z
rewind(20)
read(20,*) itempx,itempy,itempz
nx = 1
do i=2,npts
read(20,fmt=*,iostat=iostatus) ix,iy,iz
if (iy == itempy .and. iz == itempz) nx = nx + 1
enddo
! Count the number of z at this x and y: just for now, to check!
rewind(20)
read(20,*) itempx,itempy,itempz
nz = 1
do i=2,npts
read(20,fmt=*,iostat=iostatus) ix,iy,iz
if (ix == itempx .and. iy == itempy) nz = nz + 1
enddo
! Sanity check
if (nx*ny*nz /= npts) then
write(*,'(a)') 'load_ecs_cart: Number of points in EC file does not match dimensions!'
stop
endif
idx = (ix2 - ix1) / (nx-1)
idy = (iy2 - iy1) / (ny-1)
idz = (iz2 - iz1) / (nz-1)
if (.not.silent) then
write(0,'(3(a,i4))') 'Grid size is ',nx,' x ',ny,' x ',nz
write(0,'(3(a,i3))') 'Grid step size is ',idx,' x ',idy,' x ',idz
write(0,'(a,i6)') 'Total number of ECs is ',npts
write(0,'(a/)') '=================================='
endif
! Allocate space for the ECs
allocate(grid%ecs(nx,ny,nz,6,6),stat=iostatus)
allocate(grid%x(nx), grid%y(ny), grid%z(nz))
if (iostatus /= 0) stop 'EC_grid_load: error allocating space for ECs'
! Read each line and fill the array
rewind(20)
do k=1,npts
if (nec == 36) then
read(20,*) itempx,itempy,itempz,ecs_in
else if (nec == 21) then
read(20,*) itempx,itempy,itempz,((ecs_in(i,j),j=i,6),i=1,6)
do i=1,6
do j=1,6
ecs_in(j,i) = ecs_in(i,j)
enddo
enddo
endif
! For the first layer, determine whether we're in Pa or GPa; issue a warning regardless.
if (k == 1) then
if (ecs_in(1,1) > 1.d5) then
multiplier = 1.d0
if (.not.silent) &
write(0,'(a)') ' read_ecs_cart: Input Cij file appears to be in Pa.'
else
multiplier = 1.d9
if (.not.silent) &
write(0,'(a)') ' read_ecs_cart: Input Cij file appears to be in GPa.'
endif
endif
! Fill the array with the constants in Pa
grid%ecs((itempx-ix1+idx)/idx,&
(itempy-iy1+idy)/idy,&
(itempz-iz1+idz)/idz,:,:) = ecs_in(:,:) * multiplier
enddo
close(20)
grid % nx = nx ; grid % ny = ny ; grid % nz = nz
grid % idx = idx ; grid % idy = idy ; grid % idz = idz
grid % ix1 = ix1 ; grid % ix2 = ix2
grid % iy1 = iy1 ; grid % iy2 = iy2
grid % iz1 = iz1 ; grid % iz2 = iz2
! Fill in dimensions
do k=0,nx-1; grid % x(k+1) = real(ix1) + real(idx) * real(k); enddo
do k=0,ny-1; grid % y(k+1) = real(iy1) + real(idy) * real(k); enddo
do k=0,nz-1; grid % z(k+1) = real(iz1) + real(idz) * real(k); enddo
return
end subroutine EC_grid_load
!------------------------------------------------------------------------------
!==============================================================================
subroutine EC_grid_write(fname,grid,necs)
!===============================================================================
! Write the EC_grid type to an ASCII text file.
! Assumes output is all 36 elastic constants, otherwise can specify 21.
implicit none
type(ECgrid),intent(in) :: grid
character(len=*),intent(in) :: fname
character(len=80) :: fmt
integer,optional,intent(in) :: necs
integer :: iostatus,ix,iy,iz,kx,ky,kz,i,j,nec
integer :: lenx,leny,lenz
! Check for requested output format; default to all 36 constants to be written out.
if (present(necs)) then
if (necs /= 21 .and. necs /= 36) stop 'EC_grid_write: nec must be 21 or 36'
nec = necs
else
nec = 36
endif
open(20,file=trim(fname),iostat=iostatus)
if (iostatus /= 0) stop 'EC_grid_write: error opening file for writing'
! Determine output format; minimum length is 5
lenx = 5 ; leny = lenx ; lenz = lenx
if (int(log10(real(grid%ix1))+1.) > lenx) lenx = int(log10(real(grid%ix1))+1.)
if (int(log10(real(grid%ix2))+1.) > lenx) lenx = int(log10(real(grid%ix2))+1.)
if (int(log10(real(grid%iy1))+1.) > leny) leny = int(log10(real(grid%iy1))+1.)
if (int(log10(real(grid%iy2))+1.) > leny) leny = int(log10(real(grid%iy2))+1.)
if (int(log10(real(grid%iz1))+1.) > lenz) lenz = int(log10(real(grid%iz1))+1.)
if (int(log10(real(grid%iz2))+1.) > lenz) lenz = int(log10(real(grid%iz2))+1.)
write(fmt,'(3(a2,i3),a1,i2,a)') '(i',lenx,',i',leny,',i',lenz,',',nec,'e24.16)'
do kx=1,grid%nx
ix = grid%ix1 + grid%idx*(kx-1)
do ky=1,grid%ny
iy = grid%iy1 + grid%idy*(ky-1)
do kz=1,grid%nz
iz = grid%iz1 + grid%idz*(kz-1)
if (nec == 21) then
write(20,fmt) ix,iy,iz,((grid%ecs(kx,ky,kz,i,j),j=i,6),i=1,6)
else
write(20,fmt) ix,iy,iz,grid%ecs(kx,ky,kz,:,:)
endif
enddo
enddo
enddo
close(20)
return
end subroutine EC_grid_write
!------------------------------------------------------------------------------
!==============================================================================
subroutine EC_grid_load_bin(fname,grid)
! Load the ECgrid type from a binary file
implicit none
character(len=*),intent(in) :: fname
type(ECgrid),intent(out) :: grid
integer :: iostatus,ix,iy,iz,k
write(lu_stderr,'(a)') 'EC_grid_load_bin hasn''t been tested yet!'
stop
open(20,file=fname,iostat=iostatus,form='unformatted',status='old')
if (iostatus /= 0) then
write(lu_stderr,'(a,a)') &
'EC_grid_load_bin: cannot open file for reading: ',fname
stop
endif
read(20) grid%npts, grid%nx, grid%ny, grid%nz, grid%ix1, grid%ix2, &
grid%iy1, grid%iy2, grid%iz1, grid%iz2, grid%idx, grid%idy, grid%idz
do ix=1,grid%nx
do iy=1,grid%ny
do iz=1,grid%nz
read(20) grid%ecs(ix,iy,iz,:,:)
enddo
enddo
enddo
close(20)
! Fill in dimensions
do k=0,grid%nx-1; grid % x(k+1) = real(grid%ix1) + real(grid%idx) * real(k); enddo
do k=0,grid%ny-1; grid % y(k+1) = real(grid%iy1) + real(grid%idy) * real(k); enddo
do k=0,grid%nz-1; grid % z(k+1) = real(grid%iz1) + real(grid%idz) * real(k); enddo
return
end subroutine EC_grid_load_bin
!------------------------------------------------------------------------------
!==============================================================================
subroutine EC_grid_write_bin(fname,grid)
! Write the ECgrid type to a binary, direct-access file.
! Format is:
! [1] npts,nx,ny,nz,ix1,ix2,iy1,iy2,iz1,iz2,idx,idy,idz
! [2+] c11,c12...c16,c21...c66 (loops over x slowest, z fastest)
implicit none
type(ECgrid),intent(in) :: grid
character(len=*),intent(in) :: fname
integer :: iostatus,ix,iy,iz
write(lu_stderr,'(a)') 'EC_grid_write_bin hasn''t been tested yet!'
stop
open(20,file=fname,iostat=iostatus,form='unformatted')
if (iostatus /= 0) then
write(lu_stderr,'(a,a)') &
'EC_grid_write_bin: Cannot open file for reading: ',fname
stop
endif
! Write the header line
write(20) grid%npts, grid%nx, grid%ny, grid%nz, grid%ix1, grid%ix2, &
grid%iy1, grid%iy2, grid%iz1, grid%iz2, grid%idx, grid%idy, grid%idz
! Write the elastic constants
do ix=1,grid%nx
do iy=1,grid%ny
do iz=1,grid%nz
write(20) grid%ecs(ix,iy,iz,:,:)
enddo
enddo
enddo
close(20)
return
end subroutine EC_grid_write_bin
!------------------------------------------------------------------------------
!==============================================================================
subroutine EC_grid_dump(grid,necs)
!===============================================================================
! Write the EC_grid type to stdout.
! Assumes output is all 36 elastic constants, otherwise can specify 21.
implicit none
type(ECgrid),intent(in) :: grid
character(len=80) :: fmt
integer,optional,intent(in) :: necs
integer :: iostatus,ix,iy,iz,kx,ky,kz,i,j,nec
integer :: lenx,leny,lenz
! Check for requested output format; default to all 36 constants to be written out.
if (present(necs)) then
if (necs /= 21 .and. necs /= 36) stop 'EC_grid_write: necs must be 21 or 36'
nec = necs
else
nec = 36
endif
! Determine output format; minimum length is 5
lenx = 5 ; leny = lenx ; lenz = lenx
if (int(log10(real(grid%ix1))+1.) > lenx) lenx = int(log10(real(grid%ix1))+1.)
if (int(log10(real(grid%ix2))+1.) > lenx) lenx = int(log10(real(grid%ix2))+1.)
if (int(log10(real(grid%iy1))+1.) > leny) leny = int(log10(real(grid%iy1))+1.)
if (int(log10(real(grid%iy2))+1.) > leny) leny = int(log10(real(grid%iy2))+1.)
if (int(log10(real(grid%iz1))+1.) > lenz) lenz = int(log10(real(grid%iz1))+1.)
if (int(log10(real(grid%iz2))+1.) > lenz) lenz = int(log10(real(grid%iz2))+1.)
write(fmt,'(3(a2,i3),a1,i2,a)') '(i',lenx,',i',leny,',i',lenz,',',nec,'e24.16)'
do kx=1,grid%nx
ix = grid%ix1 + grid%idx*(kx-1)
do ky=1,grid%ny
iy = grid%iy1 + grid%idy*(ky-1)
do kz=1,grid%nz
iz = grid%iz1 + grid%idz*(kz-1)
if (nec == 21) then
write(*,fmt) ix,iy,iz,((grid%ecs(kx,ky,kz,i,j),j=i,6),i=1,6)
else
write(*,fmt) ix,iy,iz,grid%ecs(kx,ky,kz,:,:)
endif
enddo
enddo
enddo
return
end subroutine EC_grid_dump
!------------------------------------------------------------------------------
!==============================================================================
subroutine EC_grid_clone(in,out)
! Create a new grid of ECs from another
implicit none
type(ECgrid),intent(in) :: in
type(ECgrid),intent(out) :: out
out % npts = in % npts
out % nx = in % nx
out % ny = in % ny
out % nz = in % nz
out % ix1 = in % ix1
out % ix2 = in % ix2
out % iy1 = in % iy1
out % iy2 = in % iy2
out % iz1 = in % iz1
out % iz2 = in % iz2
out % idx = in % idx
out % idy = in % idy
out % idz = in % idz
allocate(out%ecs(out%nx, out%ny, out%nz, 6, 6))
allocate(out%x(out%nx), out%y(out%ny), out%z(out%nz))
out % ecs = in % ecs
out % x = in % x
out % y = in % y
out % z = in % z
return
end subroutine EC_grid_clone
!------------------------------------------------------------------------------
!==============================================================================
subroutine EC_grid_delete(grid)
!==============================================================================
! Zeros out all values and deallocates the space for the arrays
implicit none
type(ECgrid),intent(inout) :: grid
grid % npts = 0
grid % nx = 0
grid % ny = 0
grid % nz = 0
grid % ix1 = 0
grid % ix2 = 0
grid % iy1 = 0
grid % iy2 = 0
grid % iz1 = 0
grid % iz2 = 0
grid % idx = 0
grid % idy = 0
grid % idz = 0
deallocate(grid%ecs)
deallocate(grid%x)
deallocate(grid%y)
deallocate(grid%z)
return
end subroutine EC_grid_delete
!------------------------------------------------------------------------------
!==============================================================================
function EC_grid_check_necs(fname)
!==============================================================================
! Determines the number of ECs per line in an EC_grid-type file
implicit none
character(len=*),intent(in) :: fname
integer :: EC_grid_check_necs, necs
type (ECgrid) :: grid
real(rs) :: x,y,z, test(21)
real(rs),parameter:: test_comparison=1.d0
integer :: iostatus
! Test for which way round the input file is
open(20,file=fname,status='old',iostat=iostatus)
if (iostatus /= 0) then
write(0,'(a,a)') 'EC_grid_check_necs: can''t open file:',trim(fname)
stop
endif
! Compare the values in the 4th column with that in the 10th (i.e. the second and
! seventh columns of the ECs):
! if n=36, they should be the same (have read c12 and c21). Otherwise, n=21.
! If this is true by accident, the constants are in completely the wrong fromat anyway.
read(20,*) x,y,z,test
if (abs(test(2) - test(7)) < test_comparison) then
EC_grid_check_necs = 36
else
EC_grid_check_necs = 21
endif
close(20)
return
end function EC_grid_check_necs
!______________________________________________________________________________
end module EC_grid
!==============================================================================