sandy.core.endf6 module

Created on Wed Dec 4 14:50:33 2019

@author: lfiorito

class sandy.core.endf6.Endf6(data, file=None)

Bases: _FormattedFile

Container for ENDF-6 file text grouped by MAT, MF and MT numbers.

Attributes:

data
is_empty
keys: List of keys (MAT, MF, MT) used to identify each tape section.
kind: Kind of ENDF-6 formatted file (‘endf6’, ‘pendf’, ‘gendf’, ‘errorr’) .
mat
mf
mt

Methods

`get_ace`([temperature, err, ...])	Parameters:
`get_pendf`([temperature, err, ...])	Parameters:
`get_errorr`([temperature, err, ...])	Parameters:
`get_id`([method])	Extract ID for a given MAT for a ENDF-6 file.
`get_nsub`()	Determine ENDF-6 sub-library type by reading flag "NSUB" of first MAT in file.
`get_records`()	Extract MAT, MF and MT combinations avaialbel in the file and report it in tabulated format.
`read_section`(mat, mf, mt[, raise_error])	Parse MAT/MF/MT section.
`update_intro`(**kwargs)	Method to update MF1/MT451 of each MAT based on the file content (concistency is enforced) and user-given keyword arguments.

apply_perturbations(smps, processes=1, njoy_kws={}, **kwargs)

Apply perturbations to the data contained in ENDF6 file. At the moment only the procedure for cross sections is implemented. Options are included to directly convert perturbed pendf to ace and write data on files.

Parameters:

smpssamples obtained taking the relative covariances from the
evaluated files and a unit vector as mean.
processesnumber of processes used to complete the task.: Creation of perturbed pendf files and conversion to ACE format is done in parallel if processes>1. The default is 1.
njoy_kws: keyword argument to pass to “tape.get_pendf()”.
**kwargskeyword argument to pass to “tape.get_ace()” plus keywords: to pass to “endf6_perturb_worker”.

Returns:

A dictionary of endf/pendf file or ace files depending on to_ace.

Notes

Note

ACE file temperature. Two options are implemented: - Generation of pendf file at 0K and broadening to the

required temperature when ACE file is created.

Generation of pendf file at temperature and broadening not performed when ACE is created. This approach takes into account implicit effect.

Examples

Example to produce and apply perturbations to Pu-239 xs and nubar. >>> tape = sandy.get_endf6_file(“jeff_33”, “xs”, 942390) >>> smps = tape.get_perturbations(2, njoy_kws=dict(err=1, chi=False, mubar=False, errorr33_kws=dict(mt=[2, 4, 18]),), smp_kws=dict(seed31=1, seed33=3))

Let’s apply both nubar and xs perturbations, then only nubar and then only xs. >>> outs_31_33 = tape.apply_perturbations(smps, njoy_kws=dict(err=1), processes=1) >>> outs_31 = tape.apply_perturbations({31: smps[31]}, njoy_kws=dict(err=1), processes=1) >>> outs_33 = tape.apply_perturbations({33: smps[33]}, njoy_kws=dict(err=1), processes=1)

Check that files are different for different samples. >>> for i in range(2): … assert(outs_33[i][“endf6”].data == tape.data) … assert(outs_31[i][“endf6”].data != tape.data) … assert(outs_31[i][“endf6”].data == outs_31_33[i][“endf6”].data) … assert(outs_33[i][“pendf”].data != outs_31[i][“pendf”].data) … assert(outs_33[i][“pendf”].data == outs_31_33[i][“pendf”].data)

Check that method is consistent only nubar, only xs or both nubar and xs are perturbed. >>> assert outs_33[0][“pendf”].data != outs_33[1][“pendf”].data >>> assert outs_33[0][“endf6”].data == outs_33[1][“endf6”].data >>> assert outs_31[0][“pendf”].data == outs_31[1][“pendf”].data >>> assert outs_31[0][“endf6”].data != outs_31[1][“endf6”].data

Check that redundant nubar is also perturbed. >>> nu0 = sandy.Xs.from_endf6(outs_31[0][“endf6”].filter_by(listmt=[452, 455, 456])) >>> nu1 = sandy.Xs.from_endf6(outs_31[1][“endf6”].filter_by(listmt=[452, 455, 456])) >>> assert not nu0.data[9437, 452].equals(nu1.data[9437, 452]) >>> assert nu0.data[9437, 455].equals(nu1.data[9437, 455]) >>> assert not nu0.data[9437, 456].equals(nu1.data[9437, 456])

Check that redundant and partial cross sections are correctly perturbed. >>> xs0 = sandy.Xs.from_endf6(outs_33[0][“pendf”].filter_by(listmf=[3])) >>> xs1 = sandy.Xs.from_endf6(outs_33[1][“pendf”].filter_by(listmf=[3])) >>> assert not xs0.data[9437, 1].equals(xs1.data[9437, 1]) >>> assert not xs0.data[9437, 2].equals(xs1.data[9437, 2]) >>> assert not xs0.data[9437, 4].equals(xs1.data[9437, 4]) >>> assert not xs0.data[9437, 18].equals(xs1.data[9437, 18]) >>> assert not xs0.data[9437, 51].equals(xs1.data[9437, 51]) >>> assert xs0.data[9437, 16].equals(xs1.data[9437, 16]) >>> assert xs0.data[9437, 102].equals(xs1.data[9437, 102]) >>> assert xs0.data[9437, 103].equals(xs1.data[9437, 103]) >>> assert xs0.data[9437, 107].equals(xs1.data[9437, 107])

Check that ENDF6 and PENDF output filenames are correct >>> endf6 = sandy.get_endf6_file(‘jeff_33’, ‘xs’, 10010) >>> smps = endf6.get_perturbations(2, njoy_kws=dict(err=0.1)) >>> outs = endf6.apply_perturbations(smps, to_file=True) >>> assert outs[0][“endf6”] == ‘1001_0.endf6’ and os.path.isfile(‘1001_0.endf6’) >>> assert outs[0][“pendf”] == ‘1001_0.pendf’ and os.path.isfile(‘1001_0.endf6’) >>> assert outs[1][“endf6”] == ‘1001_1.endf6’ and os.path.isfile(‘1001_1.endf6’) >>> assert outs[1][“pendf”] == ‘1001_1.pendf’ and os.path.isfile(‘1001_1.pendf’)

Check that ACE output filenames are correct >>> outs = endf6.apply_perturbations(smps, to_file=True, to_ace=True, ace_kws=dict(err=1, temperature=300, purr=False, heatr=False, thermr=False, gaspr=False)) >>> assert outs[0][“ace”] == ‘1001_0.03c’ and os.path.isfile(‘1001_0.03c’) >>> assert outs[0][“xsdir”] == ‘1001_0.03c.xsd’ and os.path.isfile(‘1001_0.03c.xsd’) >>> assert outs[1][“ace”] == ‘1001_1.03c’ and os.path.isfile(‘1001_1.03c’) >>> assert outs[1][“xsdir”] == ‘1001_1.03c.xsd’ and os.path.isfile(‘1001_1.03c.xsd’)

get_ace(temperature=0, err=0.001, minimal_processing=False, verbose=False, **kwargs)

Parameters:

errTYPE, optional: reconstruction tolerance for RECONR, BROADR and THERMR. The default is 0.001.
minimal_processing: `bool`, optional: deactivate modules THERMR, GASPR, HEATR, PURR and UNRESR. The default is False.
temperaturefloat, optional: temperature of the cross sections in K. If not given, stop the processing after RECONR (before BROADR). The default is 0.
verbosebool, optional: flag to print NJOY input file to screen before running the executable. The default is False.

get_errorr(temperature=0, err=0.001, minimal_processing=False, verbose=False, **kwargs)

Parameters:

errTYPE, optional: reconstruction tolerance for RECONR, BROADR and THERMR. The default is 0.001.
minimal_processing: `bool`, optional: deactivate modules THERMR, GASPR, HEATR, PURR and UNRESR. The default is False.
temperaturefloat, optional: temperature of the cross sections in K. If not given, stop the processing after RECONR (before BROADR). The default is 0.
verbosebool, optional: flag to print NJOY input file to screen before running the executable. The default is False.

get_gendf(temperature=0, err=0.001, minimal_processing=False, verbose=False, **kwargs)

Parameters:

errTYPE, optional: reconstruction tolerance for RECONR, BROADR and THERMR. The default is 0.001.
minimal_processing: `bool`, optional: deactivate modules THERMR, GASPR, HEATR, PURR and UNRESR. The default is False.
temperaturefloat, optional: temperature of the cross sections in K. If not given, stop the processing after RECONR (before BROADR). The default is 0.
verbosebool, optional: flag to print NJOY input file to screen before running the executable. The default is False.

get_id(method='nndc')

Extract ID for a given MAT for a ENDF-6 file.

Parameters:

methodstr, optional: Methods adopted to produce the ID. The default is “nndc”. - if method=’aleph’ the ID is the ZAM identifier - else, the ID is the ZA identifier according to the NNDC rules

Returns:

IDint: ID of the ENDF-6 file.

Notes

Note

a warning is raised if more than one MAT is found. Only the ID corresponding to the lowest MAT will be returned.

Examples

Extract ID for H1 file using NNDC and ALEPH methods >>> tape = sandy.get_endf6_file(“jeff_33”, “xs”, 10010) >>> assert tape.get_id() == 1001 >>> assert tape.get_id(method=”aleph”) == 10010

Extract ID for Am242m file using NNDC and ALEPH methods >>> tape2 = sandy.get_endf6_file(“jeff_33”, “xs”, 952421) >>> assert tape2.get_id() == 95642 >>> assert tape2.get_id(method=”ALEPH”) == 952421

>>> assert tape.merge(tape2).get_id() == 1001
>>> assert tape2.merge(tape).get_id() == 1001

get_nsub()

Determine ENDF-6 sub-library type by reading flag “NSUB” of first MAT in file.

Returns:

int: NSUB value

Examples

assert sandy.get_endf6_file(“jeff_33”, “xs”, 10010).get_nsub() == “neutron” assert sandy.get_endf6_file(“jeff_33”, “xs”, 10010).get_nsub().get_pendf(err=1).get_nsub() == “neutron” assert sandy.get_endf6_file(“jeff_33”, “nfpy”, 942410).get_nsub() == “nfpy” assert sandy.get_endf6_file(“jeff_33”, “decay”, 942410).get_nsub() == “decay” assert sandy.get_endf6_file(“jeff_33”, “dxs”, 26000).get_nsub() == “neutron” assert sandy.get_endf6_file(“proton”, “dxs”, 26000).get_nsub() == “proton”

get_pendf(temperature=0, err=0.001, minimal_processing=False, verbose=False, **kwargs)

Parameters:

errTYPE, optional: reconstruction tolerance for RECONR, BROADR and THERMR. The default is 0.001.
minimal_processing: `bool`, optional: deactivate modules THERMR, GASPR, HEATR, PURR and UNRESR. The default is False.
temperaturefloat, optional: temperature of the cross sections in K. If not given, stop the processing after RECONR (before BROADR). The default is 0.
verbosebool, optional: flag to print NJOY input file to screen before running the executable. The default is False.

get_perturbations(nsmp, to_excel=None, njoy_kws={}, smp_kws={}, **kwargs)

Construct multivariate distributions with a unit vector for mean and with relative covariances taken from the evaluated files processed with the NJOY module ERRORR.

Perturbation factors are sampled with the same multigroup structure of the covariance matrix and are returned by nuclear datatype as a dict of pd.Dataframe instances .

Parameters:

nsmpTYPE: DESCRIPTION.
to_excelTYPE, optional: DESCRIPTION. The default is None.
njoy_kwsTYPE, optional: DESCRIPTION. The default is {}.
smp_kwsTYPE, optional: DESCRIPTION. The default is {}.
**kwargsTYPE: DESCRIPTION.

Returns:

smpTYPE: DESCRIPTION.

Examples

Generate a couple of samples from the H1 file of JEFF-3.3. >>> njoy_kws = dict(err=1, errorr_kws=dict(mt=102)) >>> tape = sandy.get_endf6_file(“jeff_33”, “xs”, 10010) >>> smps = tape.get_perturbations(nsmp=2, njoy_kws=njoy_kws) >>> assert len(smps) == 1 >>> assert isinstance(smps[33], sandy.Samples) >>> assert (smps[33].data.index.get_level_values(“MT”) == 102).all()

get_records()

Extract MAT, MF and MT combinations avaialbel in the file and report it in tabulated format.

Returns:

dfpd.DataFrame: Dataframe with MAT, MF and MT as columns.

Examples

Short test for hydrogen >>> sandy.get_endf6_file(“jeff_33”, “xs”, 10010).get_records()

MAT MF MT

0 125 1 451 1 125 2 151 2 125 3 1 3 125 3 2 4 125 3 102 5 125 4 2 6 125 6 102 7 125 33 1 8 125 33 2 9 125 33 102

read_section(mat, mf, mt, raise_error=True)

Parse MAT/MF/MT section.

Parameters:

`mat`int: MAT number
`mf`int: MF number
`mt`int: MT number

Returns:

dict

update_intro(**kwargs)

Method to update MF1/MT451 of each MAT based on the file content (concistency is enforced) and user-given keyword arguments.

Parameters:

**kwargsdict: dictionary of elements to be modified in section MF1/MT451 (it applies to all MAT numbers).

Returns:

Endf6(): Endf6() with updated MF1/MT451.

Examples

Check how many lines of description and how many sections are recorded in a file. >>> tape = sandy.get_endf6_file(“jeff_33”, “xs”, 10010) >>> intro = tape.read_section(125, 1, 451) >>> assert len(intro[“DESCRIPTION”]) == 87 >>> assert len(intro[“SECTIONS”]) == 10

By removing sections in the Endf6 instance, the recorded number of sections does not change. >>> tape2 = tape.delete_section(125, 33, 1).delete_section(125, 33, 2) >>> intro = tape2.read_section(125, 1, 451) >>> assert len(intro[“DESCRIPTION”]) == 87 >>> assert len(intro[“SECTIONS”]) == 10

Running updated intro updates the recorded number of sections. >>> tape2 = tape.delete_section(125, 33, 1).delete_section(125, 33, 2).update_intro() >>> intro = tape2.read_section(125, 1, 451) >>> assert len(intro[“DESCRIPTION”]) == 87 >>> assert len(intro[“SECTIONS”]) == 8

It can also be used to update the lines of description. >>> intro = tape2.update_intro(**dict(DESCRIPTION=[” new description”])).read_section(125, 1, 451) >>> print(sandy.write_mf1(intro))

1001.00000 9.991673-1 0 0 2 5 125 1451 1 0.00000000 0.00000000 0 0 0 6 125 1451 2 1.00000000 20000000.0 3 0 10 3 125 1451 3 0.00000000 0.00000000 0 0 1 8 125 1451 4 new description 125 1451 5

1 451 13 0 125 1451 6 2 151 4 0 125 1451 7 3 1 35 0 125 1451 8 3 2 35 0 125 1451 9 3 102 35 0 125 1451 10 4 2 196 0 125 1451 11 6 102 201 0 125 1451 12

33 102 21 0 125 1451 13

sandy.core.endf6.get_endf6_file(library, kind, zam, to_file=False)

Given a library and a nuclide import the corresponding ENDF-6 nuclear data file directly from internet.

Parameters:

librarystr

nuclear data library. Available libraries are: for ‘xs’:

‘endfb_71’

‘endfb_80’

‘irdff_2’

‘jeff_32’

‘jeff_33’

‘jendl_40u’

for ‘nfpy’:

‘endfb_71’
‘jeff_311’
‘jeff_33’
‘endfb_80’
‘jendl_40u’

for ‘decay’:

‘endfb_71’
‘jeff_311’
‘jeff_33’
‘endfb_80’

for ‘tsl’: (read the note)

‘endfb_71’
‘jeff_33’
‘endfb_80’
‘jendl_40u’

for ‘dxs’:

‘jeff_33’
‘proton’

kindstr

nuclear data type:

‘xs’ is a standard neutron-induced nuclear data file
‘nfpy’ is a Neutron-Induced Fission Product Yields nuclear data file
‘decay’ is a Radioactive Decay Data nuclear data file
‘dxs’ is displacement cross section data file
‘tsl’ is a Thermal Neutron Scattering Data file

zamint or ‘all’ or iterable

zam = ‘int’ (individual nuclides) or iterable (group of nuclides)

ZAM nuclide identifier $Z times 10000 + A times 10 + M$ where:

$Z$ is the charge number
$A$ is the mass number
$M$ is the metastate level (0=ground, 1=1st level)

zam = ‘all’

We obtain the information of all the library. This option is not available for ‘xs’

Returns:

Endf6: Endf6 object with ENDF-6 data for specified library and nuclide.

Raises:

ValueError: if library is not among available selection.
ValueError: if when you select ‘xs’, you select zam = ‘all’

Notes

Note

In the kind=’tls’ option, instead of the zam, integers are used. If you need help, the get_tsl_index function contains all the necessary information for the correct choice of these integers.

Examples

Import hydrogen file from JEFF-3.3. >>> tape = sandy.get_endf6_file(“jeff_33”, ‘xs’, 10010) >>> assert type(tape) is sandy.Endf6

Import hydrogen file from ENDF/B-VII.1. >>> tape = sandy.get_endf6_file(“endfb_71”, ‘xs’, 10010) >>> assert type(tape) is sandy.Endf6

Import hydrogen file from ENDF/B-VIII.0. >>> tape = sandy.get_endf6_file(“endfb_80”, ‘xs’, 10010) >>> assert type(tape) is sandy.Endf6

Import hydrogen file from JENDL-4.0u >>> tape = sandy.get_endf6_file(“jendl_40u”, ‘xs’, 10010) >>> assert type(tape) is sandy.Endf6

Import Neutron-Induced Fission Product Yields for Th-227 from ENDF/B-VII.1. >>> tape = sandy.get_endf6_file(“endfb_71”, ‘nfpy’, 902270) >>> assert type(tape) is sandy.Endf6

Import Neutron-Induced Fission Product Yields for Th-227 from ENDF/B-VIII.0 >>> tape = sandy.get_endf6_file(“endfb_80”, ‘nfpy’, 902270) >>> assert type(tape) is sandy.Endf6

Import Neutron-Induced Fission Product Yields for Th-227 from JENDL-4.0u >>> tape = sandy.get_endf6_file(“jendl_40u”, ‘nfpy’, 902270) >>> assert type(tape) is sandy.Endf6

Import Neutron-Induced Fission Product Yields for Th-232 from JEFF-3.1.1 >>> tape = sandy.get_endf6_file(“jeff_311”, ‘nfpy’, 902320) >>> assert type(tape) is sandy.Endf6

Import Neutron-Induced Fission Product Yields for Th-232 from JEFF-3.3 >>> tape = sandy.get_endf6_file(“jeff_33”, ‘nfpy’, 902320) >>> assert type(tape) is sandy.Endf6

Import Radioactive Decay Data for H-1 from JEFF-3.1.1 >>> tape = sandy.get_endf6_file(“jeff_311”, ‘decay’, 10010) >>> assert type(tape) is sandy.Endf6

Import Radioactive Decay Data for H-1 from JEFF-3.3 >>> tape = sandy.get_endf6_file(“jeff_33”, ‘decay’, 10010) >>> assert type(tape) is sandy.Endf6

Import Radioactive Decay Data for H-1 from ENDF/B-VII.1. >>> tape = sandy.get_endf6_file(“endfb_71”, ‘decay’, 10010) >>> assert type(tape) is sandy.Endf6

Import Radioactive Decay Data for H-1 from ENDF/B-VIII.0. >>> tape = sandy.get_endf6_file(“endfb_80”, ‘decay’, 10010) >>> assert type(tape) is sandy.Endf6

Import all Neutron-Induced Fission Product Yields from ENDF/B-VII.1. >>> tape = sandy.get_endf6_file(“endfb_71”, ‘nfpy’, ‘all’) >>> assert type(tape) is sandy.Endf6

Import a list of Decay Data for JEFF-3.3. >>> tape = sandy.get_endf6_file(“jeff_33”, ‘decay’, [380900, 551370, 541350]) >>> assert type(tape) is sandy.Endf6

Thermal Neutron Scattering Data from ENDF/B-VII.1. >>> tape = sandy.get_endf6_file(“endfb_71”, ‘tsl’, [1, 2, 3]) >>> assert type(tape) is sandy.Endf6

Thermal Neutron Scattering Data from ENDF/B-VIII.0. >>> tape = sandy.get_endf6_file(“endfb_80”, ‘tsl’, [1, 2, 3]) >>> assert type(tape) is sandy.Endf6

Thermal Neutron Scattering Data from JEFF-3.3. >>> tape = sandy.get_endf6_file(“jeff_33”, ‘tsl’, [1, 2, 3]) >>> assert type(tape) is sandy.Endf6

Thermal Neutron Scattering Data from JENDL-4.0u >>> tape = sandy.get_endf6_file(“jendl_40u”, ‘tsl’, [1, 2, 3]) >>> assert type(tape) is sandy.Endf6

Import natural Fe for IRDFF-II >>> tape = sandy.get_endf6_file(“irdff_2”, “xs”, 260000) >>> assert type(tape) is sandy.Endf6

sandy.core.endf6.get_tsl_index(library)

Obtain the index information available in the library web page.

Parameters:

librarystr

nuclear data library. Available libraries are: for ‘tsl’

‘endfb_71’

‘jeff_33’

‘endfb_80’

‘jendl_40u

‘irdff_ii

Raises:

ValueError: if library is not among available selection.
Example

>>> sandy.endf6.get_tsl_index("jendl_40u")
    Lib:         JENDL-4.0
    Library:     JENDL-4.0 Japanese evaluated nuclear data library, 2010
    Sub-library: NSUB=12      Thermal Neutron Scattering Data

KEY Material Lab. Date Authors

1 1-H(H2O) LANL EVAL-apr93 MACFARLANE 20.MeV tsl_0001_h(h2o).zip 412Kb

2 1-Para-H LANL EVAL-APR93 MacFarlane 20.MeV tsl_0002_para-H.zip 91Kb

3 1-Ortho-H LANL EVAL-APR93 MacFarlane 20.MeV tsl_0003_ortho-H.zip 96Kb

7 1-H(ZrH) LANL EVAL-apr93 MACFARLANE 20.MeV tsl_0007_h(zrh).zip 448Kb

11 1-D(D2O) GA EVAL-DEC69 KOPPEL,HOUSTON 20.MeV tsl_0011_D(D2O).zip 235Kb

12 1-Para-D LANL EVAL-APR93 MacFarlane 20.MeV tsl_0012_para-d.zip 92Kb

13 1-Ortho-D LANL EVAL-APR93 MacFarlane 20.MeV tsl_0013_ortho-d.zip 93Kb

26 4-Be-metal LANL EVAL-apr93 MACFARLANE 20.MeV tsl_0026_bemetal.zip 419Kb

27 4-BeO LANL EVAL-apr93 MACFARLANE 20.MeV tsl_0027_beo.zip 483Kb

31 6-Graphite LANL EVAL-apr93 MACFARLANE 20.MeV tsl_0031_graphite.zip 397Kb

33 6-l-CH4 LANL EVAL-APR93 MacFarlane 20.MeV tsl_0033_l-ch4.zip 50Kb

34 6-s-CH4 LANL EVAL-APR93 MacFarlane 20.MeV tsl_0034_s-ch4.zip 42Kb

37 6-H(CH2) GA EVAL-DEC69 KOPPEL,HOUSTON,SPREVAK 20.MeV tsl_0037_H(CH2).zip 72Kb

40 6-BENZINE GA EVAL-DEC69 KOPPEL,HOUSTON,BORGONOVI 20.MeV tsl_0040_BENZINE.zip 236Kb

58 40-Zr(ZrH) LANL EVAL-apr93 MACFARLANE 20.MeV tsl_0058_zr(zrh).zip 201Kb

Total: Materials:15 Size:11Mb Compressed:4Mb