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! This file is part of mctc-lib.
!
! Licensed under the Apache License, Version 2.0 (the "License");
! you may not use this file except in compliance with the License.
! You may obtain a copy of the License at
!
! http://www.apache.org/licenses/LICENSE-2.0
!
! Unless required by applicable law or agreed to in writing, software
! distributed under the License is distributed on an "AS IS" BASIS,
! WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
! See the License for the specific language governing permissions and
! limitations under the License.
module test_math
use mctc_env_accuracy, only : wp
use mctc_env_testing, only : new_unittest, unittest_type, error_type, check
use mctc_io_math
implicit none
private
public :: collect_math
real(wp), parameter :: thr = sqrt(epsilon(1.0_wp))
contains
!> Collect all exported unit tests
subroutine collect_math(testsuite)
!> Collection of tests
type(unittest_type), allocatable, intent(out) :: testsuite(:)
testsuite = [ &
& new_unittest("valid-eigval", test_eigval), &
& new_unittest("valid-eigvec", test_eigvec), &
& new_unittest("valid-matdet", test_matdet), &
& new_unittest("valid-matinv", test_matinv) &
& ]
end subroutine collect_math
subroutine test_matdet(error)
!> Error handling
type(error_type), allocatable, intent(out) :: error
real(wp) :: mat(3, 3), det
mat = reshape(&
& [2.0_wp, 1.0_wp, 3.0_wp, 1.0_wp, 3.0_wp, 0.0_wp, 3.0_wp, 0.0_wp, 4.0_wp], &
& shape(mat))
det = matdet_3x3(mat)
call check(error, det, -7.0_wp, thr=thr)
end subroutine test_matdet
subroutine test_matinv(error)
!> Error handling
type(error_type), allocatable, intent(out) :: error
real(wp) :: mat(3, 3), inv(3, 3)
mat = reshape(&
& [2.0_wp, 1.0_wp, 3.0_wp, 1.0_wp, 3.0_wp, 0.0_wp, 3.0_wp, 0.0_wp, 4.0_wp], &
& shape(mat))
inv = matinv_3x3(mat)
mat = matmul(mat, inv)
call check(error, mat(1, 1), 1.0_wp, thr=thr)
if (allocated(error)) return
call check(error, mat(2, 2), 1.0_wp, thr=thr)
if (allocated(error)) return
call check(error, mat(3, 3), 1.0_wp, thr=thr)
if (allocated(error)) return
call check(error, mat(1, 2), 0.0_wp, thr=thr)
if (allocated(error)) return
call check(error, mat(1, 3), 0.0_wp, thr=thr)
if (allocated(error)) return
call check(error, mat(2, 3), 0.0_wp, thr=thr)
if (allocated(error)) return
end subroutine test_matinv
subroutine test_eigval(error)
!> Error handling
type(error_type), allocatable, intent(out) :: error
real(wp) :: mat(3, 3), eval(3)
mat = reshape(&
& [2.0_wp, 1.0_wp, 3.0_wp, 1.0_wp, 3.0_wp, 0.0_wp, 3.0_wp, 0.0_wp, 4.0_wp], &
& shape(mat))
call eigval_3x3(mat, eval)
call check(error, eval(1),-0.3611775878183057_wp, thr=thr)
if (allocated(error)) return
call check(error, eval(2), 3.0909775466663136_wp, thr=thr)
if (allocated(error)) return
call check(error, eval(3), 6.2702000411519920_wp, thr=thr)
if (allocated(error)) return
end subroutine test_eigval
subroutine test_eigvec(error)
!> Error handling
type(error_type), allocatable, intent(out) :: error
real(wp) :: mat(3, 3), eval(3), evec(3, 3)
mat = reshape(&
& [2.0_wp, 1.0_wp, 3.0_wp, 1.0_wp, 3.0_wp, 0.0_wp, 3.0_wp, 0.0_wp, 4.0_wp], &
& shape(mat))
call eigvec_3x3(mat, eval, evec)
call check(error, eval(1),-0.3611775878183057_wp, thr=thr)
if (allocated(error)) return
call check(error, eval(2), 3.0909775466663136_wp, thr=thr)
if (allocated(error)) return
call check(error, eval(3), 6.2702000411519920_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(1, 1), 0.80020375200069072_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(2, 1),-0.23807244071268843_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(3, 1),-0.55045024139982024_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(1, 2), 0.08680581175113650_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(2, 2), 0.95414544502416110_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(3, 2),-0.28648075116117611_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(1, 3), 0.59341276219023387_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(2, 3), 0.18146069192182893_wp, thr=thr)
if (allocated(error)) return
call check(error, evec(3, 3), 0.78417683653434167_wp, thr=thr)
if (allocated(error)) return
end subroutine test_eigvec
end module test_math
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