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TST: Complete tests for G704 with test-drive.
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@MilanSkocic
MilanSkocic committed Jan 2, 2024
1 parent 1c6e6fb commit c616b35
Showing 1 changed file with 167 additions and 2 deletions.
169 changes: 167 additions & 2 deletions test/testsuite_g704.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,11 @@ subroutine collect_suite_g704(testsuite)
new_unittest("gases in H2O", test_gases_H2O),&
new_unittest("gases in D2O", test_gases_D2O),&
new_unittest("gases2 in H2O", test_gases2_H2O),&
new_unittest("gases2 in D2O", test_gases2_D2O)]
new_unittest("gases2 in D2O", test_gases2_D2O),&
new_unittest("kh in H2O", test_kh_H2O),&
new_unittest("kh in D2O", test_kh_D2O),&
new_unittest("kd in H2O", test_kh_H2O),&
new_unittest("kd in D2O", test_kh_D2O)]
end subroutine

subroutine test_ngases_H2O(error)
Expand Down Expand Up @@ -90,7 +94,6 @@ subroutine test_gases_D2O(error)
enddo
end subroutine


subroutine test_gases2_H2O(error)
implicit none
type(error_type), allocatable, intent(out) :: error
Expand All @@ -115,4 +118,166 @@ subroutine test_gases2_D2O(error)
if (allocated(error)) return
end subroutine

subroutine test_kh_H2O(error)
implicit none
type(error_type), allocatable, intent(out) :: error

integer(int32), parameter :: nT = 4
integer(int32), parameter :: ngas = 14
character(len=5), parameter :: gases(ngas) =&
[character(len=5) :: "He", "Ne", "Ar", "Kr", "Xe", "H2", "N2", "O2", "CO", "CO2", "H2S", "CH4", "C2H6", "SF6"]
integer(int32), parameter :: heavywater = 0
real(real64) :: k(nT)

real(real64) :: T_K(nT) = [300.0d0, 400.0d0, 500.0d0, 600.0d0]
real(real64) :: T_C(nT)
real(real64) :: expected_khs(ngas, nT) = &
transpose(reshape([2.6576d0, 2.1660d0, 1.1973d0, -0.1993d0, &
2.5134d0, 2.3512d0, 1.5952d0, 0.4659d0,&
1.4061d0, 1.8079d0, 1.1536d0, 0.0423d0,&
0.8210d0, 1.4902d0, 0.9798d0, 0.0006d0,&
0.2792d0, 1.1430d0, 0.5033d0, -0.7081d0,&
1.9702d0, 1.8464d0, 1.0513d0, -0.1848d0,&
2.1716d0, 2.3509d0, 1.4842d0, 0.1647d0,&
1.5024d0, 1.8832d0, 1.1630d0, -0.0276d0,&
1.7652d0, 1.9939d0, 1.1250d0, -0.2382d0,&
-1.7508d0, -0.5450d0, -0.6524d0, -1.3489d0,&
-2.8784d0, -1.7083d0, -1.6074d0, -2.1319d0,&
1.4034d0, 1.7946d0, 1.0342d0, -0.2209d0,&
1.1418d0, 1.8495d0, 0.8274d0, -0.8141d0,&
3.1445d0, 3.6919d0, 2.6749d0, 1.2402d0], shape=[nT, ngas]))
integer(int32) :: i, j
real(real64) :: value, expected

T_C = T_K - 273.15d0

do i=1, ngas
call iapws_g704_kh(T_C, gases(i), heavywater, k)
do j=1, nT
value = nint(log(k(j)/1000d0) * 1d4) * 1d-4
expected = nint(expected_khs(i, j) * 1d4) * 1d-4
call check(error, value, expected)
if (allocated(error)) return
enddo
enddo
end subroutine

subroutine test_kh_D2O(error)
implicit none
type(error_type), allocatable, intent(out) :: error

integer(int32), parameter :: nT = 4
integer(int32), parameter :: ngas = 7
character(len=5), parameter :: gases(ngas) =&
[character(len=5) :: "He", "Ne", "Ar", "Kr", "Xe", "D2", "CH4"]
integer(int32), parameter :: heavywater = 1
real(real64) :: k(nT)

real(real64) :: T_K(nT) = [300.0d0, 400.0d0, 500.0d0, 600.0d0]
real(real64) :: T_C(nT)
real(real64) :: expected_khs(ngas, nT) = &
transpose(reshape([2.5756d0, 2.1215d0, 1.2748d0, -0.0034d0,&
2.4421d0, 2.2525d0, 1.5554d0, 0.4664d0,&
1.3316d0, 1.7490d0, 1.1312d0, 0.0360d0,&
0.8015d0, 1.4702d0, 0.9505d0, -0.0661d0,&
0.2750d0, 1.1251d0, 0.4322d0, -0.8730d0,&
1.6594d0, 1.6762d0, 0.9042d0, -0.3665d0,&
1.3624d0, 1.7968d0, 1.0491d0, -0.2186d0], shape=[nT, ngas]))
integer(int32) :: i, j
real(real64) :: value, expected

T_C = T_K - 273.15d0

do i=1, ngas
call iapws_g704_kh(T_C, gases(i), heavywater, k)
do j=1, nT
value = nint(log(k(j)/1000d0) * 1d4) * 1d-4
expected = nint(expected_khs(i, j) * 1d4) * 1d-4
call check(error, value, expected)
if (allocated(error)) return
enddo
enddo
end subroutine

subroutine test_kd_H2O(error)
implicit none
type(error_type), allocatable, intent(out) :: error

integer(int32), parameter :: nT = 4
integer(int32), parameter :: ngas = 14
character(len=5), parameter :: gases(ngas) =&
[character(len=5) :: "He", "Ne", "Ar", "Kr", "Xe", "H2", "N2", "O2", "CO", "CO2", "H2S", "CH4", "C2H6", "SF6"]
integer(int32), parameter :: heavywater = 0
real(real64) :: k(nT)

real(real64) :: T_K(nT) = [300.0d0, 400.0d0, 500.0d0, 600.0d0]
real(real64) :: T_C(nT)
real(real64) :: expected_khs(ngas, nT) = &
transpose(reshape([15.2250d0, 10.4364d0, 6.9971d0, 3.8019d0,&
15.0743d0, 10.6379d0, 7.4116d0, 4.2308d0,&
13.9823d0, 10.0558d0, 6.9869d0, 3.9861d0,&
13.3968d0, 9.7362d0, 6.8371d0, 3.9654d0,&
12.8462d0, 9.4268d0, 6.3639d0, 3.3793d0,&
14.5286d0, 10.1484d0, 6.8948d0, 3.7438d0,&
14.7334d0, 10.6221d0, 7.2923d0, 4.0333d0,&
14.0716d0, 10.1676d0, 6.9979d0, 3.8707d0,&
14.3276d0, 10.2573d0, 7.1218d0, 4.0880d0,&
10.8043d0, 7.7705d0, 5.2123d0, 2.7293d0,&
9.6846d0, 6.5840d0, 4.2781d0, 2.2200d0,&
13.9659d0, 10.0819d0, 6.8559d0, 3.7238d0,&
13.7063d0, 10.1510d0, 6.8453d0, 3.6493d0,&
15.7067d0, 11.9887d0, 8.5550d0, 4.9599d0], shape=[nT, ngas]))
integer(int32) :: i, j
real(real64) :: value, expected

T_C = T_K - 273.15d0

do i=1, ngas
call iapws_g704_kd(T_C, gases(i), heavywater, k)
do j=1, nT
value = nint(log(k(j)/1000d0) * 1d4) * 1d-4
expected = nint(expected_khs(i, j) * 1d4) * 1d-4
call check(error, value, expected)
if (allocated(error)) return
enddo
enddo
end subroutine

subroutine test_kd_D2O(error)
implicit none
type(error_type), allocatable, intent(out) :: error

integer(int32), parameter :: nT = 4
integer(int32), parameter :: ngas = 7
character(len=5), parameter :: gases(ngas) =&
[character(len=5) :: "He", "Ne", "Ar", "Kr", "Xe", "D2", "CH4"]
integer(int32), parameter :: heavywater = 1
real(real64) :: k(nT)

real(real64) :: T_K(nT) = [300.0d0, 400.0d0, 500.0d0, 600.0d0]
real(real64) :: T_C(nT)
real(real64) :: expected_khs(ngas, nT) = &
transpose(reshape([15.2802d0, 10.4217d0, 7.0674d0, 3.9539d0,&
15.1473d0, 10.5331d0, 7.3435d0, 4.2800d0,&
14.0517d0, 10.0632d0, 6.9498d0,3.9094d0,&
13.5042d0, 9.7854d0, 6.8035d0, 3.8160d0,&
12.9782d0, 9.4648d0, 6.3074d0, 3.1402d0,&
14.3520d0, 10.0178d0, 6.6975d0, 3.5590d0,&
14.0646d0, 10.1013d0, 6.9021d0, 3.8126d0], shape=[nT, ngas]))
integer(int32) :: i, j
real(real64) :: value, expected

T_C = T_K - 273.15d0

do i=1, ngas
call iapws_g704_kd(T_C, gases(i), heavywater, k)
do j=1, nT
value = nint(log(k(j)/1000d0) * 1d4) * 1d-4
expected = nint(expected_khs(i, j) * 1d4) * 1d-4
call check(error, value, expected)
if (allocated(error)) return
enddo
enddo
end subroutine

end module

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