Merge branch 'CLRF_quaternion-tolerance' into 'development'
fixes: support CLRF (windows line endings) and be less picky aboug |qu| = 1 See merge request damask/DAMASK!383
This commit is contained in:
Sharan Roongta
commit
1e3a53ae02
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit d10a94a36056d99ea0892d1c6c69aa0e1dbe9d46
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Subproject commit dab246aea2cc3f29d57e0043edfebd3aedded124
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@ -629,7 +629,7 @@ class Rotation:
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else:
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if np.any(qu[...,0] < 0.0):
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raise ValueError('Quaternion with negative first (real) component.')
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if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0)):
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if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=0.0)):
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raise ValueError('Quaternion is not of unit length.')
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return Rotation(qu)
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25
src/IO.f90
25
src/IO.f90
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@ -113,8 +113,7 @@ end function IO_readlines
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!--------------------------------------------------------------------------------------------------
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!> @brief Read whole file.
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!> @details ensures that the string ends with a new line (expected UNIX behavior) and rejects
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! windows (CRLF) line endings
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!> @details ensures that the string ends with a new line (expected UNIX behavior)
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!--------------------------------------------------------------------------------------------------
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function IO_read(fileName) result(fileContent)
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@ -124,8 +123,7 @@ function IO_read(fileName) result(fileContent)
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integer :: &
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fileLength, &
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fileUnit, &
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myStat, &
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firstEOL
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myStat
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character, parameter :: CR = achar(13)
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@ -143,12 +141,17 @@ function IO_read(fileName) result(fileContent)
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if(myStat /= 0) call IO_error(102,ext_msg=trim(fileName))
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close(fileUnit)
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foundCRLF: if (scan(fileContent(:index(fileContent,IO_EOL)),CR) /= 0) then
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CRLF2LF: block
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integer :: c
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do c=1, len(fileContent)
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if (fileContent(c:c) == CR) fileContent(c:c) = ' '
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enddo
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end block CRLF2LF
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endif foundCRLF
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if(fileContent(fileLength:fileLength) /= IO_EOL) fileContent = fileContent//IO_EOL ! ensure EOL@EOF
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firstEOL = index(fileContent,IO_EOL)
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if(scan(fileContent(firstEOL:firstEOL),CR) /= 0) call IO_error(115)
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end function IO_read
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@ -400,9 +403,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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msg = 'invalid character for logical:'
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case (114)
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msg = 'cannot decode base64 string:'
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case (115)
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msg = 'found CR. Windows file endings (CRLF) are not supported.'
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!--------------------------------------------------------------------------------------------------
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! lattice error messages
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@ -644,11 +644,16 @@ subroutine selfTest
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if(dNeq(1.0_pReal, IO_stringAsFloat('1.0'))) error stop 'IO_stringAsFloat'
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if(dNeq(1.0_pReal, IO_stringAsFloat('1e0'))) error stop 'IO_stringAsFloat'
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if(dNeq(0.1_pReal, IO_stringAsFloat('1e-1'))) error stop 'IO_stringAsFloat'
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if(dNeq(0.1_pReal, IO_stringAsFloat('1.0e-1'))) error stop 'IO_stringAsFloat'
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if(dNeq(0.1_pReal, IO_stringAsFloat('1.00e-1'))) error stop 'IO_stringAsFloat'
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if(dNeq(10._pReal, IO_stringAsFloat(' 1.0e+1 '))) error stop 'IO_stringAsFloat'
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if(3112019 /= IO_stringAsInt( '3112019')) error stop 'IO_stringAsInt'
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if(3112019 /= IO_stringAsInt(' 3112019')) error stop 'IO_stringAsInt'
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if(-3112019 /= IO_stringAsInt('-3112019')) error stop 'IO_stringAsInt'
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if(3112019 /= IO_stringAsInt('+3112019 ')) error stop 'IO_stringAsInt'
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if(3112019 /= IO_stringAsInt('03112019 ')) error stop 'IO_stringAsInt'
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if(3112019 /= IO_stringAsInt('+03112019')) error stop 'IO_stringAsInt'
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if(.not. IO_stringAsBool(' true')) error stop 'IO_stringAsBool'
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if(.not. IO_stringAsBool(' True ')) error stop 'IO_stringAsBool'
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@ -178,8 +178,7 @@ subroutine fromQuaternion(self,qu)
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class(rotation), intent(out) :: self
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real(pReal), dimension(4), intent(in) :: qu
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if (dNeq(norm2(qu),1.0_pReal)) &
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call IO_error(402,ext_msg='fromQuaternion')
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if (dNeq(norm2(qu),1.0_pReal,1.0e-8_pReal)) call IO_error(402,ext_msg='fromQuaternion')
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self%q = qu
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@ -1394,7 +1393,7 @@ end function conjugate_quaternion
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!--------------------------------------------------------------------------------------------------
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!> @brief Check correctness of some rotations functions.
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!--------------------------------------------------------------------------------------------------
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subroutine selfTest
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subroutine selfTest()
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type(rotation) :: R
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real(pReal), dimension(4) :: qu, ax, ro
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@ -1405,7 +1404,7 @@ subroutine selfTest
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integer :: i
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do i = 1, 10
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do i = 1, 20
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#if defined(__GFORTRAN__) && __GNUC__<9
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if(i<7) cycle
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@ -1433,6 +1432,7 @@ subroutine selfTest
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sin(2.0_pReal*PI*x(1))*A]
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if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
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endif
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if(.not. quaternion_equal(om2qu(qu2om(qu)),qu)) error stop 'om2qu/qu2om'
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if(.not. quaternion_equal(eu2qu(qu2eu(qu)),qu)) error stop 'eu2qu/qu2eu'
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if(.not. quaternion_equal(ax2qu(qu2ax(qu)),qu)) error stop 'ax2qu/qu2ax'
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@ -1479,6 +1479,8 @@ subroutine selfTest
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if(all(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) &
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error stop 'rotTensor4'
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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
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enddo
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contains
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