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Address PR #618 comments

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This commit is contained in:
Sterling Harper 2016-03-30 14:50:17 -04:00
parent 174c81dd45
commit e605ac43b2
7 changed files with 69 additions and 37 deletions
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2
docs/source/usersguide/input.rst
View file

@ -290,7 +290,7 @@ OpenMC can use it for on-the-fly Doppler-broadening of resolved resonance range
cross sections. If this element is absent from the settings.xml file, the
:envvar:`OPENMC_MULTIPOLE_LIBRARY` environment variable will be used.
.. note:: The <use_windowed_multipole> element must also be set to "True"
.. note:: The <use_windowed_multipole> element must also be set to "true"
for windowed multipole functionality.
``<max_order>`` Element

2
openmc/universe.py
View file

@ -475,7 +475,7 @@ class Cell(object):
if self.temperature is not None:
if isinstance(self.temperature, Iterable):
element.set("temperature", ' '.join(
[str(t) for t in self.temperature]))
str(t) for t in self.temperature))
else:
element.set("temperature", str(self.temperature))

26
src/ace.F90
View file

@ -56,6 +56,7 @@ contains
integer :: temp_table ! temporary value for sorting
character(12) :: name ! name of isotope, e.g. 92235.03c
character(12) :: alias ! alias of nuclide, e.g. U-235.03c
logical :: mp_found ! if windowed multipole libraries were found
type(Material), pointer :: mat
type(NuclideCE), pointer :: nuc
type(SAlphaBeta), pointer :: sab
@ -239,6 +240,21 @@ contains
end if
end do
! If the user wants multipole, make sure we found a multipole library.
if (multipole_active) then
mp_found = .false.
do i = 1, n_nuclides_total
if (nuclides(i) % mp_present) then
mp_found = .true.
exit
end if
end do
if (.not. mp_found) call warning("Windowed multipole functionality is &
&turned on, but no multipole libraries were found. Set the &
&<multipole_library> element in settings.xml or the &
&OPENMC_MULTIPOLE_LIBRARY environment variable.")
end if
end subroutine read_ace_xs
!===============================================================================
@ -429,12 +445,12 @@ contains
subroutine read_multipole_data(i_table)
integer, intent(in) :: i_table ! index in nuclides/sab_tables
integer, intent(in) :: i_table ! index in nuclides/sab_tables
logical :: file_exists ! does multipole library exist?
character(7) :: readable ! is multipole library readable?
character(6) :: zaid_string ! String of the ZAID
character(MAX_FILE_LEN+9) :: filename ! path to multipole xs library
logical :: file_exists ! Does multipole library exist?
character(7) :: readable ! Is multipole library readable?
character(6) :: zaid_string ! String of the ZAID
character(MAX_FILE_LEN+9) :: filename ! Path to multipole xs library
! For the time being, and I know this is a bit hacky, we just assume
! that the file will be zaid.h5.

7
src/input_xml.F90
View file

@ -167,8 +167,7 @@ contains
! Find the windowed multipole library
if (run_mode /= MODE_PLOTTING) then
if (.not. check_for_node(doc, "multipole_library") .and. &
run_mode /= MODE_PLOTTING) then
if (.not. check_for_node(doc, "multipole_library")) then
! No library location specified in settings.xml, check
! environment variable
call get_environment_variable("OPENMC_MULTIPOLE_LIBRARY", env_variable)
@ -1109,9 +1108,9 @@ contains
if (check_for_node(doc, "use_windowed_multipole")) then
call get_node_value(doc, "use_windowed_multipole", temp_str)
select case (to_lower(temp_str))
case ('true', 't', '1', 'y')
case ('true', '1')
multipole_active = .true.
case ('false', 'f', '0', 'n')
case ('false', '0')
multipole_active = .false.
case default
call fatal_error("Unrecognized value for <use_windowed_multipole> in &

46
src/multipole.F90
View file

@ -32,7 +32,6 @@ contains
integer :: i, j
integer, allocatable :: MT(:)
logical :: accumulated_fission
character(len=3) :: MT_string
character(len=24) :: MT_n ! Takes the form '/nuclide/reactions/MT???'
integer :: is_fissionable
@ -91,13 +90,13 @@ contains
allocate(nuc % nu_fission(nuc % n_grid))
allocate(nuc % absorption(nuc % n_grid))
nuc % total = ZERO
nuc % absorption = ZERO
nuc % fission = ZERO
nuc % total(:) = ZERO
nuc % absorption(:) = ZERO
nuc % fission(:) = ZERO
! Read in new energy axis (converting eV to MeV)
call read_dataset(group_id, "energy_points", nuc % energy)
nuc % energy = nuc % energy / 1.0D6
nuc % energy = nuc % energy / 1.0e6_8
! Get count and list of MT tables
call read_dataset(group_id, "MT_count", NMT)
@ -111,8 +110,7 @@ contains
! Loop over each MT entry and load it into a reaction.
do i = 1, NMT
write(MT_string, '(I3.3)') MT(i)
MT_n = "/nuclide/reactions/MT" // MT_string
write(MT_n, '(A, I3.3)') '/nuclide/reactions/MT', MT(i)
group_id = open_group(file_id, MT_n)
@ -120,11 +118,11 @@ contains
select case (MT(i))
case(ELASTIC)
call read_dataset(group_id, "MT_sigma", nuc % elastic)
nuc % total = nuc % total + nuc % elastic
nuc % total(:) = nuc % total + nuc % elastic
case(N_FISSION)
call read_dataset(group_id, "MT_sigma", nuc % fission)
nuc % total = nuc % total + nuc % fission
nuc % absorption = nuc % absorption + nuc % fission
nuc % total(:) = nuc % total + nuc % fission
nuc % absorption(:) = nuc % absorption + nuc % fission
accumulated_fission = .true.
case default
! Search through all of our secondary reactions
@ -136,36 +134,42 @@ contains
! fission cross section.
if ( (MT(i) == N_F .or. MT(i) == N_NF .or. MT(i) == N_2NF &
.or. MT(i) == N_3NF) .and. accumulated_fission) then
nuc % total = nuc % total - nuc % fission
nuc % absorption = nuc % absorption - nuc % fission
nuc % fission = 0.0_8
nuc % total(:) = nuc % total - nuc % fission
nuc % absorption(:) = nuc % absorption - nuc % fission
nuc % fission(:) = ZERO
accumulated_fission = .false.
end if
deallocate(nuc % reactions(j) % sigma)
allocate(nuc % reactions(j) % sigma(nuc % n_grid))
call read_dataset(group_id, "MT_sigma", nuc % reactions(j) % sigma)
call read_dataset(group_id, "Q_value", nuc % reactions(j) % Q_value)
call read_dataset(group_id, "threshold", nuc % reactions(j) % threshold)
call read_dataset(group_id, "MT_sigma", &
nuc % reactions(j) % sigma)
call read_dataset(group_id, "Q_value", &
nuc % reactions(j) % Q_value)
call read_dataset(group_id, "threshold", &
nuc % reactions(j) % threshold)
nuc % reactions(j) % threshold = 1 ! TODO: reconsider implications.
nuc % reactions(j) % Q_value = nuc % reactions(j) % Q_value / 1.0D6
nuc % reactions(j) % Q_value = nuc % reactions(j) % Q_value &
/ 1.0e6_8
! Accumulate total
if (MT(i) /= N_LEVEL .and. MT(i) <= N_DA) then
nuc % total = nuc % total + nuc % reactions(j) % sigma
nuc % total(:) = nuc % total + nuc % reactions(j) % sigma
end if
! Accumulate absorption
if (MT(i) >= N_GAMMA .and. MT(i) <= N_DA) then
nuc % absorption = nuc % absorption + nuc % reactions(j) % sigma
nuc % absorption(:) = nuc % absorption &
+ nuc % reactions(j) % sigma
end if
! Accumulate fission (if needed)
if ( (MT(i) == N_F .or. MT(i) == N_NF .or. MT(i) == N_2NF &
.or. MT(i) == N_3NF) ) then
nuc % fission = nuc % fission + nuc % reactions(j) % sigma
nuc % absorption = nuc % absorption + nuc % reactions(j) % sigma
nuc % fission(:) = nuc % fission + nuc % reactions(j) % sigma
nuc % absorption(:) = nuc % absorption &
+ nuc % reactions(j) % sigma
end if
end if
end do

7
tests/test_filter_distribcell/case-1/test.py Normal file
View file

@ -0,0 +1,7 @@
import openmc
su = openmc.Summary('summary.h5')
sp = openmc.StatePoint('statepoint.1.h5')
sp.link_with_summary(su)
print(sp.tallies[1].get_pandas_dataframe(summary=su))

16
tests/test_multipole/test_multipole.py
View file

@ -1,5 +1,4 @@
#!/usr/bin/env python
import os
import sys
sys.path.insert(0, os.pardir)
@ -9,7 +8,7 @@ from openmc.stats import Box
from openmc.source import Source
class DistribmatTestHarness(PyAPITestHarness):
class MultipoleTestHarness(PyAPITestHarness):
def _build_inputs(self):
####################
# Materials
@ -116,8 +115,15 @@ class DistribmatTestHarness(PyAPITestHarness):
plots_file.export_to_xml()
def execute_test(self):
if not 'OPENMC_MULTIPOLE_LIBRARY' in os.environ:
raise RuntimeError("The 'OPENMC_MULTIPOLE_LIBRARY' environment "
"variable must be specified for this test.")
else:
super(MultipoleTestHarness, self).execute_test()
def _get_results(self):
outstr = super(DistribmatTestHarness, self)._get_results()
outstr = super(MultipoleTestHarness, self)._get_results()
su = openmc.Summary('summary.h5')
outstr += str(su.get_cell_by_id(11))
return outstr
@ -126,9 +132,9 @@ class DistribmatTestHarness(PyAPITestHarness):
f = os.path.join(os.getcwd(), 'plots.xml')
if os.path.exists(f):
os.remove(f)
super(DistribmatTestHarness, self)._cleanup()
super(MultipoleTestHarness, self)._cleanup()
if __name__ == '__main__':
harness = DistribmatTestHarness('statepoint.5.*')
harness = MultipoleTestHarness('statepoint.5.*')
harness.main()