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! This file is part of xtb.
! SPDX-Identifier: LGPL-3.0-or-later
!
! xtb is free software: you can redistribute it and/or modify it under
! the terms of the GNU Lesser General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! xtb is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with xtb. If not, see <https://www.gnu.org/licenses/>.
module test_atomlist
use testdrive, only : new_unittest, unittest_type, error_type, check, test_failed
use xtb_mctc_accuracy, only : wp
use xtb_mctc_io, only : stderr
use xtb_type_atomlist
implicit none
private
public :: collect_atomlist
integer, parameter :: atoms(9) = [3,1,1,5,8,1,1,2,5]
logical, parameter :: lpar(9) = [.true., .false., .true., .true., .true., &
& .false., .false., .true., .false.]
integer, parameter :: ipar(5) = [1, 3, 4, 5, 8]
character(len=*), parameter :: cpar = '1,3-5,8'
contains
!> Collect all exported unit tests
subroutine collect_atomlist(testsuite)
!> Collection of tests
type(unittest_type), allocatable, intent(out) :: testsuite(:)
testsuite = [ &
new_unittest("defaults", test_atomlist_defaults), &
new_unittest("constr1", test_atomlist_constr1), &
new_unittest("constr2", test_atomlist_constr2), &
new_unittest("constr3", test_atomlist_constr3), &
new_unittest("constr4", test_atomlist_constr4), &
new_unittest("manip1", test_atomlist_manip1), &
new_unittest("manip2", test_atomlist_manip2) &
]
end subroutine collect_atomlist
subroutine test_atomlist_defaults(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
call check(error, atl%get_truth() .eqv. .true.)
call atl%switch_truth
call check(error, atl%get_truth() .eqv. .false.)
call check(error, size(atl), 0)
end subroutine test_atomlist_defaults
subroutine test_atomlist_constr1(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
atl = TAtomList(list=lpar, truth=.true.)
call check(error, size(atl), 9)
call check(error, len(atl), 5)
end subroutine test_atomlist_constr1
subroutine test_atomlist_constr2(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
atl = TAtomList(list=lpar, truth=.false.)
call check(error, size(atl), 9)
call check(error, len(atl), 4)
end subroutine test_atomlist_constr2
subroutine test_atomlist_constr3(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
atl = TAtomList(list=ipar, truth=.true.)
call check(error, size(atl), 8)
call check(error, len(atl), 5)
call atl%to_list(list)
call check(error, all(list == ipar))
end subroutine test_atomlist_constr3
subroutine test_atomlist_constr4(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
atl = TAtomList(list=cpar, truth=.false.)
call check(error, size(atl), 8)
call check(error, len(atl), 5)
call atl%to_string(string)
call check(error, string, cpar)
call atl%new
end subroutine test_atomlist_constr4
subroutine test_atomlist_manip1(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
call atl%new(lpar)
call atl%resize(9)
call atl%switch_truth
call atl%to_string(string)
call check(error, string, '2,6-7,9')
call atl%gather(atoms, list)
call check(error, all(list == [1,1,1,5]))
call check(error, size(list), len(atl))
call atl%new
end subroutine test_atomlist_manip1
subroutine test_atomlist_manip2(error)
type(error_type), allocatable, intent(out) :: error
type(TAtomList) :: atl
character(len=:), allocatable :: string
integer, allocatable :: list(:)
atl = TAtomList(list=lpar, truth=.false., delimiter=' ', skip=':')
call atl%to_string(string)
call check(error, string, '2 6:7 9')
call atl%switch_truth
call atl%to_list(list)
call atl%switch_truth
call atl%add(list)
call check(error, len(atl), size(atl))
call atl%to_string(string)
call check(error, string, '1:9')
end subroutine test_atomlist_manip2
end module test_atomlist
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