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DAMASK_EICMD
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relax tolerances for quaternion initialization 

we read in ASCII/YAML files, 1e-8 must be enough
This commit is contained in:
Martin Diehl 2021-05-19 09:46:02 +02:00
parent 9a37b6ddbe
commit 2648464525
2 changed files with 7 additions and 5 deletions
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2
python/damask/_rotation.py
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@ -629,7 +629,7 @@ class Rotation:
else: else:
if np.any(qu[...,0] < 0.0): if np.any(qu[...,0] < 0.0):
raise ValueError('Quaternion with negative first (real) component.') raise ValueError('Quaternion with negative first (real) component.')
if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0)): if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=0.0)):
raise ValueError('Quaternion is not of unit length.') raise ValueError('Quaternion is not of unit length.')
return Rotation(qu) return Rotation(qu)

10
src/rotations.f90
View File

@ -178,8 +178,7 @@ subroutine fromQuaternion(self,qu)
class(rotation), intent(out) :: self class(rotation), intent(out) :: self
real(pReal), dimension(4), intent(in) :: qu real(pReal), dimension(4), intent(in) :: qu
if (dNeq(norm2(qu),1.0_pReal)) & if (dNeq(norm2(qu),1.0_pReal,1.0e-8_pReal)) call IO_error(402,ext_msg='fromQuaternion')
call IO_error(402,ext_msg='fromQuaternion')
self%q = qu self%q = qu
@ -1394,7 +1393,7 @@ end function conjugate_quaternion
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some rotations functions. !> @brief Check correctness of some rotations functions.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine selfTest subroutine selfTest()
type(rotation) :: R type(rotation) :: R
real(pReal), dimension(4) :: qu, ax, ro real(pReal), dimension(4) :: qu, ax, ro
@ -1405,7 +1404,7 @@ subroutine selfTest
integer :: i integer :: i
do i = 1, 10 do i = 1, 20
#if defined(__GFORTRAN__) && __GNUC__<9 #if defined(__GFORTRAN__) && __GNUC__<9
if(i<7) cycle if(i<7) cycle
@ -1433,6 +1432,7 @@ subroutine selfTest
sin(2.0_pReal*PI*x(1))*A] sin(2.0_pReal*PI*x(1))*A]
if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal) if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
endif endif
if(.not. quaternion_equal(om2qu(qu2om(qu)),qu)) error stop 'om2qu/qu2om' if(.not. quaternion_equal(om2qu(qu2om(qu)),qu)) error stop 'om2qu/qu2om'
if(.not. quaternion_equal(eu2qu(qu2eu(qu)),qu)) error stop 'eu2qu/qu2eu' if(.not. quaternion_equal(eu2qu(qu2eu(qu)),qu)) error stop 'eu2qu/qu2eu'
if(.not. quaternion_equal(ax2qu(qu2ax(qu)),qu)) error stop 'ax2qu/qu2ax' if(.not. quaternion_equal(ax2qu(qu2ax(qu)),qu)) error stop 'ax2qu/qu2ax'
@ -1479,6 +1479,8 @@ subroutine selfTest
if(all(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) & if(all(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) &
error stop 'rotTensor4' error stop 'rotTensor4'
call R%fromQuaternion(qu * (1.0_pReal + merge(+5.e-9_pReal,-5.e-9_pReal, mod(i,2) == 0))) ! allow reasonable tolerance for ASCII/YAML
enddo enddo
contains contains