sanity checks as in python class
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Martin Diehl
parent
e8ed25d361
commit
052ee10fcb
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@ -82,7 +82,7 @@ contains
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!---------------------------------------------------------------------------------------------------
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! Return rotation in different represenations
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!---------------------------------------------------------------------------------------------------
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function asQuaternion(self)
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pure function asQuaternion(self)
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class(rotation), intent(in) :: self
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real(pReal), dimension(4) :: asQuaternion
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@ -91,7 +91,7 @@ function asQuaternion(self)
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end function asQuaternion
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!---------------------------------------------------------------------------------------------------
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function asEulerAngles(self)
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pure function asEulerAngles(self)
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class(rotation), intent(in) :: self
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real(pReal), dimension(3) :: asEulerAngles
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@ -100,7 +100,7 @@ function asEulerAngles(self)
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end function asEulerAngles
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!---------------------------------------------------------------------------------------------------
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function asAxisAnglePair(self)
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pure function asAxisAnglePair(self)
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class(rotation), intent(in) :: self
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real(pReal), dimension(4) :: asAxisAnglePair
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@ -109,7 +109,7 @@ function asAxisAnglePair(self)
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end function asAxisAnglePair
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!---------------------------------------------------------------------------------------------------
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function asRotationMatrix(self)
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pure function asRotationMatrix(self)
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class(rotation), intent(in) :: self
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real(pReal), dimension(3,3) :: asRotationMatrix
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@ -118,7 +118,7 @@ function asRotationMatrix(self)
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end function asRotationMatrix
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!---------------------------------------------------------------------------------------------------
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function asRodriguesFrankVector(self)
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pure function asRodriguesFrankVector(self)
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class(rotation), intent(in) :: self
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real(pReal), dimension(4) :: asRodriguesFrankVector
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@ -127,7 +127,7 @@ function asRodriguesFrankVector(self)
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end function asRodriguesFrankVector
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!---------------------------------------------------------------------------------------------------
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function asHomochoric(self)
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pure function asHomochoric(self)
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class(rotation), intent(in) :: self
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real(pReal), dimension(3) :: asHomochoric
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@ -145,25 +145,48 @@ subroutine fromEulerAngles(self,eu,degrees)
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real(pReal), dimension(3), intent(in) :: eu
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logical, intent(in), optional :: degrees
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real(pReal), dimension(3) :: Eulers
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if (.not. present(degrees)) then
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self%q = eu2qu(eu)
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Eulers = eu
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else
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self%q = eu2qu(merge(eu*INRAD,eu,degrees))
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Eulers = merge(eu*INRAD,eu,degrees)
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endif
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if (any(Eulers<0.0) .or. any(Eulers>2.0*PI) .or. Eulers(2) > PI) &
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call IO_error(402,ext_msg='fromEulerAngles')
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self%q = eu2qu(Eulers)
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end subroutine fromEulerAngles
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!---------------------------------------------------------------------------------------------------
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subroutine fromAxisAnglePair(self,ax,degrees)
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subroutine fromAxisAnglePair(self,ax,degrees,P)
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class(rotation), intent(out) :: self
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real(pReal), dimension(4), intent(in) :: ax
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logical, intent(in), optional :: degrees
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integer, intent(in), optional :: P
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real :: angle
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real,dimension(3) :: axis
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if (.not. present(degrees)) then
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self%q = ax2qu(ax)
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angle = ax(4)
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else
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self%q = ax2qu(merge([ax(1:3),ax(4)*INRAD],ax,degrees))
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angle = merge(ax(4)*INRAD,ax(4),degrees)
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endif
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if (.not. present(P)) then
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axis = ax(1:3)
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else
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axis = ax(1:3) * merge(-1.0,1.0,P == 1)
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if(abs(P) /= 1) call IO_error(402,ext_msg='fromAxisAnglePair (P)')
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endif
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if(dNeq(norm2(axis),1.0) .or. angle < 0.0 .or. angle > PI) &
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call IO_error(402,ext_msg='fromAxisAnglePair')
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self%q = ax2qu([axis,angle])
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end subroutine fromAxisAnglePair
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!---------------------------------------------------------------------------------------------------
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@ -171,7 +194,10 @@ subroutine fromRotationMatrix(self,om)
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class(rotation), intent(out) :: self
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real(pReal), dimension(3,3), intent(in) :: om
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if (dNeq(math_det33(om),1.0,tol=1.0e-5)) &
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call IO_error(402,ext_msg='fromRotationMatrix')
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self%q = om2qu(om)
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end subroutine fromRotationMatrix
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@ -711,13 +737,14 @@ pure function ax2om(ax) result(om)
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real(pReal), dimension(3,3) :: om
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real(pReal) :: q, c, s, omc
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integer :: i
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c = cos(ax(4))
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s = sin(ax(4))
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omc = 1.0-c
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forall(i=1:3) om(i,i) = ax(i)**2*omc + c
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om(1,1) = ax(1)**2*omc + c
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om(2,2) = ax(2)**2*omc + c
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om(3,3) = ax(3)**2*omc + c
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q = omc*ax(1)*ax(2)
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om(1,2) = q + s*ax(3)
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