added functions
-- math_volTetrahedron: calc the volume of a tetrahedron from four vertices -- math_vectorproduct: return vector product of two dim(3) vectors rendered most of the math lib to be "pure" functions
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Eralp Demir
parent
1529d6115d
commit
de04c4cccd
130
trunk/math.f90
130
trunk/math.f90
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@ -216,12 +216,13 @@
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!**************************************************************************
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! fourth rank identity tensor of specified dimension
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!**************************************************************************
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FUNCTION math_identity4th(dimen)
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PURE FUNCTION math_identity4th(dimen)
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use prec, only: pReal, pInt
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implicit none
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integer(pInt) i,j,k,l,dimen
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integer(pInt), intent(in) :: dimen
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integer(pInt) i,j,k,l
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real(pReal), dimension(dimen,dimen,dimen,dimen) :: math_identity4th
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forall (i=1:dimen,j=1:dimen,k=1:dimen,l=1:dimen) math_identity4th(i,j,k,l) = &
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@ -231,16 +232,38 @@
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END FUNCTION
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!**************************************************************************
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! vector product a x b
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!**************************************************************************
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PURE FUNCTION math_vectorproduct(A,B)
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use prec, only: pReal, pInt
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implicit none
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real(pReal), dimension(3), intent(in) :: A,B
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real(pReal), dimension(3) :: math_vectorproduct
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math_vectorproduct(1) = A(2)*B(3)-A(3)*B(2)
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math_vectorproduct(2) = A(3)*B(1)-A(1)*B(3)
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math_vectorproduct(3) = A(1)*B(2)-A(2)*B(1)
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return
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END FUNCTION
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!**************************************************************************
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! matrix multiplication 3x3
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!**************************************************************************
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FUNCTION math_mul33x33(A,B)
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PURE FUNCTION math_mul33x33(A,B)
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use prec, only: pReal, pInt
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implicit none
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integer(pInt) i,j
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real(pReal), dimension(3,3) :: math_mul33x33,A,B
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real(pReal), dimension(3,3), intent(in) :: A,B
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real(pReal), dimension(3,3) :: math_mul33x33
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forall (i=1:3,j=1:3) math_mul33x33(i,j) = &
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A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j)
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@ -253,13 +276,14 @@
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!**************************************************************************
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! matrix multiplication 6x6
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!**************************************************************************
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FUNCTION math_mul66x66(A,B)
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PURE FUNCTION math_mul66x66(A,B)
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use prec, only: pReal, pInt
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implicit none
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integer(pInt) i,j
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real(pReal), dimension(6,6) :: math_mul66x66,A,B
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real(pReal), dimension(6,6), intent(in) :: A,B
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real(pReal), dimension(6,6) :: math_mul66x66
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forall (i=1:6,j=1:6) math_mul66x66(i,j) = &
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A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j) + &
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@ -271,14 +295,15 @@
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!**************************************************************************
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! matrix multiplication 6x6
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!**************************************************************************
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FUNCTION math_mul66x6(A,B)
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PURE FUNCTION math_mul66x6(A,B)
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use prec, only: pReal, pInt
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implicit none
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integer(pInt) i
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real(pReal), dimension(6) :: math_mul66x6,B
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real(pReal), dimension(6,6) :: A
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real(pReal), dimension(6,6), intent(in) :: A
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real(pReal), dimension(6), intent(in) :: B
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real(pReal), dimension(6) :: math_mul66x6
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forall (i=1:6) math_mul66x6(i) = &
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A(i,1)*B(1) + A(i,2)*B(2) + A(i,3)*B(3) + &
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@ -290,13 +315,14 @@
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!**************************************************************************
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! matrix multiplication 9x9
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!**************************************************************************
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FUNCTION math_mul99x99(A,B)
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PURE FUNCTION math_mul99x99(A,B)
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use prec, only: pReal, pInt
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implicit none
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integer(pInt) i,j
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real(pReal), dimension(9,9) :: math_mul99x99,A,B
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real(pReal), dimension(9,9), intent(in) :: A,B
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real(pReal), dimension(9,9) :: math_mul99x99
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forall (i=1:9,j=1:9) math_mul99x99(i,j) = &
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A(i,1)*B(1,j) + A(i,2)*B(2,j) + A(i,3)*B(3,j) + &
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@ -579,13 +605,14 @@
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!********************************************************************
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! symmetrize a 6x6 matrix
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!********************************************************************
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FUNCTION math_symmetric6x6(m)
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PURE FUNCTION math_symmetric6x6(m)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(6,6) :: math_symmetric6x6,m
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integer(pInt) i,j
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real(pReal), dimension(6,6), intent(in) :: m
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real(pReal), dimension(6,6) :: math_symmetric6x6
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forall (i=1:6,j=1:6) math_symmetric6x6(i,j) = 1.0_pReal/2.0_pReal * &
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(m(i,j) + m(j,i))
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@ -596,12 +623,13 @@
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!********************************************************************
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! determinant of a 3x3 matrix
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!********************************************************************
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real(pReal) FUNCTION math_det3x3(m)
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PURE FUNCTION math_det3x3(m)
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use prec, only: pReal,pInt
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implicit none
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real(pReal) m(3,3)
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real(pReal), dimension(3,3), intent(in) :: m
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real(pReal) math_det3x3
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math_det3x3 = m(1,1)*(m(2,2)*m(3,3)-m(2,3)*m(3,2)) &
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-m(1,2)*(m(2,1)*m(3,3)-m(2,3)*m(3,1)) &
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@ -614,12 +642,12 @@
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!********************************************************************
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! convert 3x3 matrix into vector 9x1
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!********************************************************************
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FUNCTION math_Plain33to9(m33)
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PURE FUNCTION math_Plain33to9(m33)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3) :: m33
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real(pReal), dimension(3,3), intent(in) :: m33
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real(pReal), dimension(9) :: math_Plain33to9
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integer(pInt) i
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@ -632,12 +660,12 @@
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!********************************************************************
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! convert Plain 9x1 back to 3x3 matrix
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!********************************************************************
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FUNCTION math_Plain9to33(v9)
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PURE FUNCTION math_Plain9to33(v9)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(9) :: v9
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real(pReal), dimension(9), intent(in) :: v9
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real(pReal), dimension(3,3) :: math_Plain9to33
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integer(pInt) i
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@ -650,12 +678,12 @@
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!********************************************************************
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! convert symmetric 3x3 matrix into Mandel vector 6x1
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!********************************************************************
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FUNCTION math_Mandel33to6(m33)
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PURE FUNCTION math_Mandel33to6(m33)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3) :: m33
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real(pReal), dimension(3,3), intent(in) :: m33
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real(pReal), dimension(6) :: math_Mandel33to6
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integer(pInt) i
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@ -668,12 +696,12 @@
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!********************************************************************
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! convert Mandel 6x1 back to symmetric 3x3 matrix
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!********************************************************************
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FUNCTION math_Mandel6to33(v6)
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PURE FUNCTION math_Mandel6to33(v6)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(6) :: v6
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real(pReal), dimension(6), intent(in) :: v6
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real(pReal), dimension(3,3) :: math_Mandel6to33
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integer(pInt) i
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@ -689,12 +717,12 @@
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!********************************************************************
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! convert 3x3x3x3 tensor into plain matrix 9x9
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!********************************************************************
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FUNCTION math_Plain3333to99(m3333)
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PURE FUNCTION math_Plain3333to99(m3333)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3,3,3) :: m3333
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real(pReal), dimension(3,3,3,3), intent(in) :: m3333
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real(pReal), dimension(9,9) :: math_Plain3333to99
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integer(pInt) i,j
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@ -708,12 +736,12 @@
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!********************************************************************
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! convert symmetric 3x3x3x3 tensor into Mandel matrix 6x6
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!********************************************************************
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FUNCTION math_Mandel3333to66(m3333)
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PURE FUNCTION math_Mandel3333to66(m3333)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3,3,3) :: m3333
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real(pReal), dimension(3,3,3,3), intent(in) :: m3333
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real(pReal), dimension(6,6) :: math_Mandel3333to66
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integer(pInt) i,j
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@ -727,12 +755,12 @@
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!********************************************************************
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! convert Mandel matrix 6x6 back to symmetric 3x3x3x3 tensor
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!********************************************************************
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FUNCTION math_Mandel66to3333(m66)
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PURE FUNCTION math_Mandel66to3333(m66)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(6,6) :: m66
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real(pReal), dimension(6,6), intent(in) :: m66
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real(pReal), dimension(3,3,3,3) :: math_Mandel66to3333
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integer(pInt) i,j
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@ -751,12 +779,12 @@
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!********************************************************************
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! convert Voigt matrix 6x6 back to symmetric 3x3x3x3 tensor
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!********************************************************************
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FUNCTION math_Voigt66to3333(m66)
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PURE FUNCTION math_Voigt66to3333(m66)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(6,6) :: m66
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real(pReal), dimension(6,6), intent(in) :: m66
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real(pReal), dimension(3,3,3,3) :: math_Voigt66to3333
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integer(pInt) i,j
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@ -775,13 +803,14 @@
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!********************************************************************
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! Euler angles from orientation matrix
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!********************************************************************
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FUNCTION math_RtoEuler(R)
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PURE FUNCTION math_RtoEuler(R)
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use prec, only: pReal, pInt
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implicit none
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real(pReal) R(3,3), sqhkl, squvw, sqhk, val
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real(pReal), dimension (3,3), intent(in) :: R
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real(pReal), dimension(3) :: math_RtoEuler
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real(pReal) sqhkl, squvw, sqhk, val
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sqhkl=sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3)+R(3,3)*R(3,3))
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squvw=sqrt(R(1,1)*R(1,1)+R(2,1)*R(2,1)+R(3,1)*R(3,1))
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@ -828,14 +857,16 @@
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!****************************************************************
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! rotation matrix from axis and angle (in radians)
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!****************************************************************
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FUNCTION math_RodrigToR(axis,omega)
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PURE FUNCTION math_RodrigToR(axis,omega)
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use prec, only: pReal, pInt
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implicit none
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real(pReal), dimension(3) :: axis, axisNrm
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real(pReal), dimension(3), intent(in) :: axis
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real(pReal), intent(in) :: omega
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real(pReal), dimension(3) :: axisNrm
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real(pReal), dimension(3,3) :: math_RodrigToR
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real(pReal) omega, s,c
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real(pReal) s,c
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integer(pInt) i
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forall (i=1:3) axisNrm(i) = axis(i)/sqrt(dot_product(axis,axis))
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@ -890,12 +921,12 @@
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!**************************************************************************
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! disorientation angle between two sets of Euler angles
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!**************************************************************************
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function math_disorient(EulerA,EulerB)
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pure function math_disorient(EulerA,EulerB)
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use prec, only: pReal, pInt
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implicit none
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real(pReal), dimension(3):: EulerA,EulerB
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real(pReal), dimension(3), intent(in) :: EulerA,EulerB
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real(pReal), dimension(3,3) :: r
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real(pReal) math_disorient, tr
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@ -2003,5 +2034,28 @@ math_sampleFiberOri = math_RtoEuler(math_mul33x33(pRot,math_mul33x33(fRot,oRot))
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END FUNCTION
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!**************************************************************************
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! volume of tetrahedron given by four vertices
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!**************************************************************************
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PURE FUNCTION math_volTetrahedron(v1,v2,v3,v4)
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use prec, only: pReal
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implicit none
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real(pReal) math_volTetrahedron
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real(pReal), dimension (3), intent(in) :: v1,v2,v3,v4
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real(pReal), dimension (3,3) :: m
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m(:,1) = v1-v2
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m(:,2) = v2-v3
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m(:,3) = v3-v4
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math_volTetrahedron = math_det3x3(m)/6.0_pReal
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return
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END FUNCTION
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END MODULE math
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