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DAMASK_EICMD
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added core module function math_periodicNearestNeighborDistances

This commit is contained in:
Philip Eisenlohr 2013-02-19 14:56:26 +00:00
parent 7461e13c1e
commit d8da2f60d8
4 changed files with 81 additions and 12 deletions
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14
code/damask.core.pyf
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@ -85,6 +85,18 @@ python module core ! in
real*8, dimension(size(domainSet,1),(3_pInt**size(domainSet,1))*size(domainSet,2)), depend(domainSet) :: domainSetLarge
end function math_periodicNearestNeighbor
function math_periodicNearestNeighborDistances(geomdim,Favg,querySet,domainSet,Ndist) ! in :math:math.f90
! input variables
real*8, dimension(3), intent(in) :: geomdim
real*8, dimension(3,3), intent(in) :: Favg
integer, intent(in) :: Ndist
real*8, dimension(:,:), intent(in) :: querySet
real*8, dimension(:,:), intent(in) :: domainSet
real*8, dimension(Ndist,size(querySet,2)), depend(Ndist,querySet) :: math_periodicNearestNeighborDistances
! depending on input
real*8, dimension(size(domainSet,1),(3_pInt**size(domainSet,1))*size(domainSet,2)), depend(domainSet) :: domainSetLarge
end function math_periodicNearestNeighborDistances
function math_tensorAvg(field) ! in :math:math.f90
! input variables
real*8 dimension(:,:,:,:,:), intent(in), :: field
@ -155,7 +167,7 @@ python module core ! in
real*8, dimension(3), intent(in) :: gDim
real*8, intent(in), optional, :: scalingIn = -1.0
real*8, dimension(3,3), intent(in), optional :: FavgIn = -1.0
real*8, dimension(3,size(F,3),size(F,4),size(F,5)), depend(F) :: mesh_deformedCoordsFFT
real*8, dimension(3,size(F,3),size(F,4),size(F,5)), depend(F) :: mesh_deformedCoordsFFT
end function mesh_deformedCoordsFFT
function mesh_volumeMismatch(gDim,F,nodes) ! in :mesh:mesh.f90

66
code/math.f90
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@ -232,7 +232,8 @@ real(pReal), dimension(4,36), parameter, private :: &
math_logstrainSpat, &
math_logstrainMat, &
math_cauchy, &
math_periodicNearestNeighbor
math_periodicNearestNeighbor, &
math_periodicNearestNeighborDistances
#endif
private :: &
math_partition, &
@ -1965,7 +1966,7 @@ end function math_sampleGaussVar
!--------------------------------------------------------------------------------------------------
!> @brief symmetric Euler angles for given symmetry string 'triclinic' or '', 'monoclinic', 'orthotropic'
!> @brief symmetric Euler angles for given symmetry 1:triclinic, 2:monoclinic, 4:orthotropic
!--------------------------------------------------------------------------------------------------
pure function math_symmetricEulers(sym,Euler)
@ -3120,7 +3121,7 @@ function math_divergenceFDM(geomdim,order,field)
end function math_divergenceFDM
!--------------------------------------------------------------------------------------------------
!> @brief Obtain the nearest neighbor in domain set for all points in querySet
!> @brief Obtain the nearest neighbor from domainSet at points in querySet
!--------------------------------------------------------------------------------------------------
function math_periodicNearestNeighbor(geomdim, Favg, querySet, domainSet)
use kdtree2_module
@ -3145,7 +3146,6 @@ function math_periodicNearestNeighbor(geomdim, Favg, querySet, domainSet)
if (size(querySet,1) /= size(domainSet,1)) call IO_error(407_pInt,ext_msg='query set')
spatialDim = size(querySet,1)
print*, geomdim
i = 0_pInt
if(spatialDim == 2_pInt) then
do j = 1_pInt, size(domainSet,2)
@ -3170,9 +3170,65 @@ function math_periodicNearestNeighbor(geomdim, Favg, querySet, domainSet)
math_periodicNearestNeighbor(j) = Results(1)%idx
enddo
math_periodicNearestNeighbor = math_periodicNearestNeighbor -1_pInt ! let them run from 0 to domainPoints -1
print*, math_periodicNearestNeighbor
end function math_periodicNearestNeighbor
!--------------------------------------------------------------------------------------------------
!> @brief Obtain the distances to the next N nearest neighbors from domainSet at points in querySet
!--------------------------------------------------------------------------------------------------
function math_periodicNearestNeighborDistances(geomdim, Favg, querySet, domainSet, Ndist) result(distances)
use kdtree2_module
use IO, only: &
IO_error
implicit none
! input variables
real(pReal), dimension(3), intent(in) :: geomdim
real(pReal), dimension(3,3), intent(in) :: Favg
integer(pInt), intent(in) :: Ndist
real(pReal), dimension(:,:), intent(in) :: querySet
real(pReal), dimension(:,:), intent(in) :: domainSet
! output variable
real(pReal), dimension(Ndist,size(querySet,2)) :: distances
real(pReal), dimension(size(domainSet,1),(3_pInt**size(domainSet,1))*size(domainSet,2)) &
:: domainSetLarge
integer(pInt) :: i,j, l,m,n, spatialDim
type(kdtree2), pointer :: tree
type(kdtree2_result), dimension(:), allocatable :: Results
allocate(Results(Ndist))
if (size(querySet,1) /= size(domainSet,1)) call IO_error(407_pInt,ext_msg='query set')
spatialDim = size(querySet,1)
i = 0_pInt
if(spatialDim == 2_pInt) then
do j = 1_pInt, size(domainSet,2)
do l = -1_pInt, 1_pInt; do m = -1_pInt, 1_pInt
i = i + 1_pInt
domainSetLarge(1:2,i) = domainSet(1:2,j) +matmul(Favg(1:2,1:2),real([l,m],pReal)*geomdim(1:2))
enddo; enddo
enddo
else
do j = 1_pInt, size(domainSet,2)
do l = -1_pInt, 1_pInt; do m = -1_pInt, 1_pInt; do n = -1_pInt, 1_pInt
i = i + 1_pInt
domainSetLarge(1:3,i) = domainSet(1:3,j) + math_mul33x3(Favg,real([l,m,n],pReal)*geomdim)
enddo; enddo; enddo
enddo
endif
tree => kdtree2_create(domainSetLarge,sort=.true.,rearrange=.true.)
do j = 1_pInt, size(querySet,2)
call kdtree2_n_nearest(tp=tree, qv=querySet(1:spatialDim,j),nn=Ndist, results = Results)
distances(1:Ndist,j) = sqrt(Results(1:Ndist)%dis)
enddo
deallocate(Results)
end function math_periodicNearestNeighborDistances
#endif

9
lib/damask/__init__.py
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@ -19,7 +19,7 @@ try:
core.IO = core.io
core.FEsolving = core.fesolving
core.DAMASK_interface = core.damask_interface
# remove XXX_
# remove modulePrefix_
core.prec.init = core.prec.prec_init
core.DAMASK_interface.init = core.DAMASK_interface.DAMASK_interface_init
core.IO.init = core.IO.IO_init
@ -30,6 +30,7 @@ try:
core.math.divergenceFFT = core.math.math_divergenceFFT
core.math.divergenceFDM = core.math.math_divergenceFDM
core.math.periodicNearestNeighbor = core.math.math_periodicNearestNeighbor
core.math.periodicNearestNeighborDistances = core.math.math_periodicNearestNeighborDistances
core.math.tensorAvg = core.math.math_tensorAvg
core.math.logstrainSpat = core.math.math_logstrainSpat
core.math.logstrainMat = core.math.math_logstrainMat
@ -45,8 +46,8 @@ try:
except (ImportError,AttributeError) as e:
core = None # from http://www.python.org/dev/peps/pep-0008/
if('setup_processing' not in sys.argv[0]):
if os.path.split(sys.argv[0])[1] not in ('symLink_Processing.py',
'compile_CoreModule.py',
):
sys.stderr.write('\nWARNING: Core module (Fortran code) not available, '\
'try to run setup_processing.py\nError Message when importing core.so: %s\n\n'%e)

4
lib/kdtree2.f90
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@ -1355,8 +1355,8 @@ subroutine validate_query_storage(n)
implicit none
integer(pInt), intent(in) :: n
if (int(size(sr%results,1),pInt) .lt. n) then
call IO_error (460_pInt,ext_msg='KD_TREE_TRANS: not enough storage for results(1:n)')
if (int(size(sr%results,1),pInt) < n) then
call IO_error (460_pInt,e=n,i=int(size(sr%results,1),pInt),ext_msg='KD_TREE_TRANS: not enough storage for results(1:n)')
endif
return