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DAMASK_EICMD
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simplified

This commit is contained in:
Martin Diehl 2018-02-22 14:54:49 +01:00
parent e51de7ffd8
commit 4f4fa5daf8
1 changed files with 7 additions and 17 deletions
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src/math.f90
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@ -1817,16 +1817,12 @@ function math_sampleFiberOri(alpha,beta,FWHM)
tol_math_check tol_math_check
implicit none implicit none
real(pReal), dimension(3) :: math_sampleFiberOri, fiberInC,fiberInS,axis
real(pReal), dimension(2), intent(in) :: alpha,beta real(pReal), dimension(2), intent(in) :: alpha,beta
real(pReal), intent(in) :: FWHM real(pReal), intent(in) :: FWHM
real(pReal), dimension(3) :: math_sampleFiberOri, fiberInC,fiberInS,axis
real(pReal), dimension(6) :: rnd real(pReal), dimension(6) :: rnd
real(pReal), dimension(3,3) :: oRot,fRot,pRot real(pReal), dimension(3,3) :: oRot,fRot,pRot
real(pReal) :: cos2Scatter, angle real(pReal) :: cos2Scatter, angle
integer(pInt), dimension(2,3), parameter :: ROTMAP = reshape([2_pInt,3_pInt,&
3_pInt,1_pInt,&
1_pInt,2_pInt],[2,3])
integer(pInt) :: i
! MD: this is a leftover from using the wrongly scaled Gaussian distribution. ! MD: this is a leftover from using the wrongly scaled Gaussian distribution.
! I'm relatively sure that it is not correct to scale by any constant factor here ! I'm relatively sure that it is not correct to scale by any constant factor here
@ -1841,15 +1837,8 @@ function math_sampleFiberOri(alpha,beta,FWHM)
sin(beta(1))*sin(beta(2)), & sin(beta(1))*sin(beta(2)), &
cos(beta(1))] cos(beta(1))]
! ---# rotation matrix from sample to crystal system #--- oRot = merge(math_EulerAxisAngleToR(math_crossproduct(fiberInC,fiberInS),angle),
angle = -acos(dot_product(fiberInC,fiberInS)) math_I3, acos(dot_product(fiberInC,fiberInS)) > tol_math_check)
if(abs(angle) > tol_math_check) then
! rotation axis between sample and crystal system (cross product)
forall(i=1_pInt:3_pInt) axis(i) = fiberInC(ROTMAP(1,i))*fiberInS(ROTMAP(2,i))-fiberInC(ROTMAP(2,i))*fiberInS(ROTMAP(1,i))
oRot = math_EulerAxisAngleToR(math_crossproduct(fiberInC,fiberInS),angle)
else
oRot = math_I3
end if
GaussConvolution: do GaussConvolution: do
rnd = halton(int([14,5,10,3,9,17],pInt)) rnd = halton(int([14,5,10,3,9,17],pInt))
@ -1860,14 +1849,15 @@ function math_sampleFiberOri(alpha,beta,FWHM)
! random axis pependicular to fiber axis ! random axis pependicular to fiber axis
axis(1:2) = rnd(2:3) axis(1:2) = rnd(2:3)
if (abs(fiberInS(3)) > tol_math_check) then if (abs(fiberInS(3)) > tol_math_check) then
axis(3)=-(axis(1)*fiberInS(1)+axis(2)*fiberInS(2))/fiberInS(3) axis(3)=-(axis(1)*fiberInS(1)+axis(2)*fiberInS(2))
else if(abs(fiberInS(2)) > tol_math_check) then else if(abs(fiberInS(2)) > tol_math_check) then
axis(3)=axis(2) axis(3)=axis(2)
axis(2)=-(axis(1)*fiberInS(1)+axis(3)*fiberInS(3))/fiberInS(2) axis(2)=-(axis(1)*fiberInS(1)+axis(3)*fiberInS(3))
else if(abs(fiberInS(1)) > tol_math_check) then else if(abs(fiberInS(1)) > tol_math_check) then
axis(3)=axis(1) axis(3)=axis(1)
axis(1)=-(axis(2)*fiberInS(2)+axis(3)*fiberInS(3))/fiberInS(1) axis(1)=-(axis(2)*fiberInS(2)+axis(3)*fiberInS(3))
end if end if
axis = axis/norm2(axis)
! rotate by XXX amount around axis perpendicular to fiber axis ! rotate by XXX amount around axis perpendicular to fiber axis
! Proabably https://math.stackexchange.com/questions/56784 is the right approach ! Proabably https://math.stackexchange.com/questions/56784 is the right approach