diff --git a/.github/workflows/cream-test.yml b/.github/workflows/cream-test.yml new file mode 100644 index 000000000..acf0e9949 --- /dev/null +++ b/.github/workflows/cream-test.yml @@ -0,0 +1,34 @@ +name: cream-test +on: + workflow_dispatch: + push: + branches: [main] + pull_request: + branches: [main] + +jobs: + run-tests: + runs-on: ubuntu-latest + strategy: + matrix: + python-version: ["3.9", "3.10", "3.11"] + steps: + - name: Checkout code + uses: actions/checkout@v3 + - name: Set up Python + uses: actions/setup-python@v4 + with: + python-version: ${{matrix.python-version}} + - name: install and test + working-directory: ./cream + run: | + python -m pip install .[test] + pytest + check-formating: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v4 + - uses: psf/black@stable + with: + src: "./cream/" + diff --git a/cream/cream/__init__.py b/cream/cream/__init__.py index e69de29bb..556c650f4 100644 --- a/cream/cream/__init__.py +++ b/cream/cream/__init__.py @@ -0,0 +1,14 @@ +"""Utility library for the SCONE Monte Carlo Code[project.optional-dependencies] + +Dummy doctest +>>> 2 + 1 +3 +""" + +import click + + +@click.command() +def main(): + """Command line utility for SCONE Monte Carlo Code.""" + pass diff --git a/cream/cream/__main__.py b/cream/cream/__main__.py deleted file mode 100755 index 26dde582a..000000000 --- a/cream/cream/__main__.py +++ /dev/null @@ -1,14 +0,0 @@ -#!/usr/bin/env python -import click -from cream.data_scripts import data - - -@click.group() -def main(): - """ Command line utility for SCONE Monte Carlo Code. - """ - pass - - -# Add nested command groups to main -main.add_command(data) diff --git a/cream/cream/atom_relax.py b/cream/cream/atom_relax.py deleted file mode 100644 index d9ef00df4..000000000 --- a/cream/cream/atom_relax.py +++ /dev/null @@ -1,328 +0,0 @@ -""" Atomic Relaxation Data. - -This module contains classes and procedures related to storing and exporting -atomic realaxation data to diffrent output formats. - -Attributes: - ATOMIC_SUBSHELL (dict): Maps subshell index to subshell type - (e.g. K, L3 etc.)[1]. - SUBSHELL_IDX (dict): Maps subshell type (e.g. K, L3) to its index [1]. - EL_Z (dict): Maps element symbol (e.g. O) to its atomic number. - Z_EL (dict): Maps atomic number Z to element symbol. - -References: - [1] Perkins, S.T., and Cullen, D.E. ENDL type formats for the LLNL - Evaluated Atomic Data Library, EADL, for the Evaluated Electron Data - Library, EEDL, and for the Evaluated Photon Data Library, EPDL. - United States: N. p., 1994. Web. doi:10.2172/10172308. -""" -from cream.endf import ENDFTape - -ATOMIC_SUBSHELL = {1: 'K', 2: 'L', 3: 'L1', 4: 'L23', 5: 'L2', 6: 'L3', 7: 'M', - 8: 'M1', 9: 'M23', 10: 'M2', 11: 'M3', 12: 'M45', 13: 'M4', - 14: 'M5', 15: 'N', 16: 'N1', 17: 'N23', 18: 'N2', 19: 'N3', - 20: 'N45', 21: 'N4', 22: 'N5', 23: 'N67', 24: 'N6', - 25: 'N7', 26: 'O', 27: 'O1', 28: 'O23', 29: 'O2', 30: 'O3', - 31: 'O45', 32: 'O4', 33: 'O5', 34: 'O67', 35: 'O6', - 36: 'O7', 37: 'O89', 38: 'O8', 39: 'O9', 40: 'P', 41: 'P1', - 42: 'P23', 43: 'P2', 44: 'P3', 45: 'P45', 46: 'P4', - 47: 'P5', 48: 'P67', 49: 'P6', 50: 'P7', 51: 'P89', - 52: 'P8', 53: 'P9', 54: 'P1011', 55: 'P10', 56: 'P11', - 57: 'Q', 58: 'Q1', 59: 'Q23', 60: 'Q2', 61: 'Q3'} - -SUBSHELL_IDX = dict([(name, idx) for idx, name in ATOMIC_SUBSHELL.items()]) - -EL_Z = {'H': 1, 'He': 2, 'Li': 3, 'Be': 4, 'B': 5, 'C': 6, 'N': 7, 'O': 8, - 'F': 9, 'Ne': 10, 'Na': 11, 'Mg': 12, 'Al': 13, 'Si': 14, 'P': 15, - 'S': 16, 'Cl': 17, 'Ar': 18, 'K': 19, 'Ca': 20, 'Sc': 21, 'Ti': 22, - 'V': 23, 'Cr': 24, 'Mn': 25, 'Fe': 26, 'Co': 27, 'Ni': 28, 'Cu': 29, - 'Zn': 30, 'Ga': 31, 'Ge': 32, 'As': 33, 'Se': 34, 'Br': 35, 'Kr': 36, - 'Rb': 37, 'Sr': 38, 'Y': 39, 'Zr': 40, 'Nb': 41, 'Mo': 42, 'Tc': 43, - 'Ru': 44, 'Rh': 45, 'Pd': 46, 'Ag': 47, 'Cd': 48, 'In': 49, 'Sn': 50, - 'Sb': 51, 'Te': 52, 'I': 53, 'Xe': 54, 'Cs': 55, 'Ba': 56, 'La': 57, - 'Ce': 58, 'Pr': 59, 'Nd': 60, 'Pm': 61, 'Sm': 62, 'Eu': 63, 'Gd': 64, - 'Tb': 65, 'Dy': 66, 'Ho': 67, 'Er': 68, 'Tm': 69, 'Yb': 70, 'Lu': 71, - 'Hf': 72, 'Ta': 73, 'W': 74, 'Re': 75, 'Os': 76, 'Ir': 77, 'Pt': 78, - 'Au': 79, 'Hg': 80, 'Tl': 81, 'Pb': 82, 'Bi': 83, 'Po': 84, 'At': 85, - 'Rn': 86, 'Fr': 87, 'Ra': 88, 'Ac': 89, 'Th': 90, 'Pa': 91, 'U': 92, - 'Np': 93, 'Pu': 94, 'Am': 95, 'Cm': 96, 'Bk': 97, 'Cf': 98, 'Es': 99, - 'Fm': 100, 'Md': 101, 'No': 102, 'Lr': 103, 'Rf': 104, 'Db': 105, - 'Sg': 106, 'Bh': 107, 'Hs': 108, 'Mt': 109, 'Ds': 110, 'Rg': 111, - 'Cn': 112, 'Nh': 113, 'Fl': 114, 'Mc': 115, 'Lv': 116, 'Ts': 117, - 'Og': 118} - -Z_EL = dict([(name, idx) for idx, name in EL_Z.items()]) - - -class AtomRelax: - """ Stores Atomic Relaxation Data - - Contains atomic relaxation data related to a single atom, which encompases - the following: - - * Number of subshells - * Binding energy for a subshell - * Number of electrons in a subshell in a ground state - * List of vacancy transisitions with associated probability and energy - change for each subshell. - - Note: - All subset information is stored in _subshell dictionary. Please note - that in general it may be unsorted. Be carefull when looping over all - subshells, becouse .items() may yield random sequence of subshell - indices. Use ``sorted`` function to sort. - """ - - def __init__(self): - self._element = None - self._charge = None - self._source = None - self._subshellNum = None - self._subshells = dict() - - def __repr__(self): - string = 'Atomic Relaxation Data\n' - string += '\tFrom: {}\n'.format(self._source) - string += '{: <16}=\t{}\n'.format('\tElement', self._element) - string += '{: <16}=\t{}\n'.format('\tZ', self._charge) - string += '{: <16}=\t{}\n'.format('\t# Subshells', self._subshellNum) - return string - - @property - def source(self): - """ Path to file from which data was loaded - """ - return self._source - - def from_endf(self, elem, tape): - """ Read Atomic Relaxation Data from ENDF - - Procedure uses variable names that originate from ENDF specification - in order to improve readibility:: - - EBI: Subshell binding energy [eV] - ELN: Average number of electron in subshell for ground state - SUB_T: Target subshell for any transition - SUB_T2: Subshell of electron emission for non-radiative transistion - ETR: Energy of transition [eV] - FTR: Fractional probability of transition - - Note: - ELN can by a fraction e.g. 2.67. In this function it is rounded - to the nearest integer. For xx.5 it will fail to preserve total - charge as all xx.5 will be rounded up. - - Args: - elem (int,str): Element Z number (1, 13) or symbol ('H', 'U') - tape (ENDFTape): ENDF tape to search for data - - Raises: - ValueError: required data is not present on ENDFtape - """ - # Reinitialise - self.__init__() - - # Find element atomic number - if isinstance(elem, str): - Z = EL_Z.get(elem) - else: - Z = int(elem) - MAT = Z*100 - - # Check if data is available - if not tape.has(MAT=MAT, MF=28, MT=533): - msg = ('Could not find atomic relaxation data (MF=28, MT=533) for ' - 'the element with Z={1} on ENDFTape from ' - 'file {}'.format(Z, tape)) - raise ValueError(msg) - - # Read data - # Header - tape.set_to(MAT=MAT, MF=28, MT=533) - self._charge, _, _, _, self._subshellNum, _ = tape.read_head() - self._charge = int(self._charge/1000.0) - - # Subshell data - for _ in range(self._subshellNum): - ss, _, _, _, length, _, data = tape.read_list() - - # Subshell idx must be integer - ss = int(ss) - - # Change rank of the list so it is list of lists of length 6 - # if the ENDF is formatted correctly length of the list WILL BE - # a multiple of 6 - it = iter(data) - data = [[next(it) for _ in range(6)] for _ in range(int(length/6))] - - # Read the special first line with binding energy - # and electron number - EBI, ELN, _, _, _, _ = data.pop(0) - - # Round average number of electrons - ELN = round(ELN) - - # Read all transitions for subshell ss - trans = list() - for line in data: - SUB_T = int(line[0]) - SUB_T2 = int(line[1]) - ETR = line[2] - FTR = line[3] - trans.append((SUB_T, SUB_T2, ETR, FTR)) - self._subshells[ss] = (EBI, ELN, trans) - - # For correctly formatted ENDF should be now at SEND record - if not tape.read_send(): - msg = ('ENDF tape: {} may be ill formated. Reading of atomic ' - 'relaxation data for MAT: {} did not end with SEND record. ' - 'Check that number of subshells matches number of ' - 'provided lists'.format(tape.name, MAT)) - raise ValueError(msg) - # Load final Info - self._source = str(tape) - self._element = Z_EL[self._charge] - - def check(self, tol=1.0e-5): - """ Check consistency of the data - - Raises exception if there are inconsistencies in the data - - Args: - tol (float, optional): Absolute tolerance for summing fractional - probabilities to 1. Must be +ve. Default: 1.0E-6 - - Raises: - ValueError: Data is not consistant - """ - eCount = 0 - msg = '[Element: {}] '.format(Z_EL[self._charge]) - - # Mismatch betwen number of subshells and sictionary entries - if self._subshellNum != len(self._subshells): - msg += ('Mismatch between number of subshells in the header: {} ' - 'and subshells for which data was provided: {}' - .format(self._subshellNum, len(self._subshells))) - raise ValueError(msg) - - # Loope over all subshells - for ss, data in self._subshells.items(): - # Count total number of electrons - eCount += data[1] - - # Sum all transition probabilities - totProb = sum([trans[3] for trans in data[2]]) - - # Change to deviation. totProb may be 0.0 if there - # are no transitions - totProb -= 1.0 if totProb != 0.0 else 0.0 - if abs(totProb) > tol: - msg += ('For subshell: {}({}) fractional probabilities do not' - ' sum to within tolerance: {}. Deviation is: {}' - .format(ss, ATOMIC_SUBSHELL[ss], tol, totProb)) - raise ValueError(msg) - - # Check that all transitions refer to present subshells - for trans in data[2]: - # Check electron origin for every transition - if trans[0] not in self._subshells: - msg += ('Transition in subshell {}({}) from a subshell ' - '{}({}) which is not present in the data' - .format(ss, ATOMIC_SUBSHELL[ss], - trans[0], ATOMIC_SUBSHELL[trans[0]])) - raise ValueError(msg) - - # Check 2-nd origin for non-radiative transition - if trans[1] != 0 and trans[1] not in self._subshells: - msg += ('Transition in subshell {}({}) from a subshell ' - '{}({}) which is not present in the data' - .format(ss, ATOMIC_SUBSHELL[ss], - trans[0], ATOMIC_SUBSHELL[trans[0]])) - raise ValueError(msg) - - # Verify number of electrons in ground state - if eCount != self._charge: - msg += ('Number of electrons in all subshells: {} does not match ' - 'the chage of the element: {}' - .format(eCount, self._charge)) - raise ValueError(msg) - - def prune_energy(self, E_cut): - """ Remove transition data from subshells with low binding energy - - Removes needless transitions from subshells that are not - significant for photon transport problem. - - Args: - E_cut (float): Cutoff energy [eV]. Transition data from - subshells with binding energy < E_cut will be removed - """ - for ss, data in self._subshells.items(): - if data[0] < E_cut: - self._subshells[ss] = (data[0], data[1], list()) - - def print_trans(self): - """ Print transition data to string - - Should be consistent with a single element data required by Serpent - and SCONE - - Result: - String in folllowing format. See :func:`from_endf` for definition - of SUB_T etc.:: - - Element {Z}\\n - NSS {number of subsehhls with transitions}\\n - SUBI {subshell ID}\\n - NTR {number of transistion}\\n - EBI {binding energy [eV]}\\n - ELN {number of electron on a subshell}\\n - {SUB_T} {SUB_T2} {ETR} {FTR}\\n - ... - SUBI {}\\n - ... - - Note: - Does not print subshells that have no transitions - - """ - st = str() - - # Calculate number of non-empty subshells - NSS = sum([len(data[2]) != 0 for ss, data in self._subshells.items()]) - - # Print header - st += 'Element {}\n'.format(int(self._charge)) - st += 'NSS {}\n'.format(int(NSS)) - if self._subshellNum != 0: - for ss, data in sorted(self._subshells.items()): - if len(data[2]) != 0: - st += 'SUBI {}\n'.format(int(ss)) - st += 'SUBI {}\n'.format(len(data[2])) - st += 'EBI {:14.6E}\n'.format(data[0]) - st += 'ELN {}\n'.format(int(data[1])) - for trans in data[2]: - st += '{:4d}{:4d}{:14.6E}{:14.6E}\n'.format(*trans) - return st - - def print_ground(self): - """ Print ground state electron configuration to string - - Print single nuclide ground state info in Serpent/SCONE format - - Result: - String in following format. ELN and EBI defined in - :func:`from_endf`:: - - Element {Z}\\n - NSS {number of all subshells}\\n - {ELN} {EBI}\\n - ... - """ - st = str() - # Print header - st += 'Element {}\n'.format(int(self._charge)) - st += 'NSS {}\n'.format(int(self._subshellNum)) - for ss, data in sorted(self._subshells.items()): - st += '{:2d} {:7f}\n'.format(data[1], data[0]) - return st diff --git a/cream/cream/data_scripts.py b/cream/cream/data_scripts.py deleted file mode 100644 index 866a083a1..000000000 --- a/cream/cream/data_scripts.py +++ /dev/null @@ -1,132 +0,0 @@ -""" Nuclear Data Scripts. - -This module is a collection of scripts to perform usefull nuclear data -managment operations. -""" -from cream.endf import ENDFTape -from cream.atom_relax import AtomRelax, Z_EL -import click - - -def read_endf_files(files): - """ Read a collection of ENDF files from paths and convert to ENDFTapes - - Args: - files (list of str): Paths to ENDF files - - Result: - List of open ENDFTapes - """ - return [ENDFTape(path) for path in list(files)] - - -def read_relaxation(tapes): - """ Read atomic relaxation data from a list of tapes - - Args: - tapes (list of :obj:`ENDFTape`): Search for atomic relaxation data - - Result: - Dictionary of ``{MAT: AtomRelax}`` pairs - - Raises: - ValueError: If in collection of materials multiple data for the same - atom (MAT) is provided. - """ - relax = dict() - for t in tapes: - for MAT, _, _ in t.get(MF=28): - if MAT in relax.keys(): - msg = ('Atomic Relaxation data for {} is repeated. First was' - ' in {}. Duplicate data is found in {}' - .format(Z_EL[MAT/100], relax[MAT].source, t)) - raise ValueError(msg) - atom = AtomRelax() - atom.from_endf(MAT/100, t) - relax[MAT] = atom - return relax - - -def serpent_relaxation_lib(files, E_cut=1.0e3): - """ Return Serpent-formatted atomic relaxation data library - - Args: - files (list of str): Paths to ENDF files with relaxation data - E_cut (float, optional): Minimum Photon Energy to prune needless - transition data [eV]. Default=1.0e3 - - Result: - 2-element typle containing: - - * (*str*): Relaxation data library. - * (*str*): Electronic ground state Library. - """ - atoms = read_relaxation(read_endf_files(files)) - - # Prune and check - [a.prune_energy(E_cut) for a in atoms.values()] - [a.check() for a in atoms.values()] - - # Build relaxation library - relaxLib = str() - for key, val in sorted(atoms.items()): - relaxLib += val.print_trans() - - # Build ground state library - groundLib = 'Nelement {}\n'.format(len(atoms)) - for key, val in sorted(atoms.items()): - groundLib += val.print_ground() - return relaxLib, groundLib - - -@click.group() -def data(): - "Manage nuclear data. " - pass - - -@data.command() -@click.argument('input', - type=click.Path(exists=True), - nargs=-1) -@click.option('-o1', '--output-trans', - required=True, - type=click.Path(), - help='Transition data output file', - prompt='Transition data output') -@click.option('-o2', '--output-ground', - required=True, - type=click.Path(), - help='Electronic ground state data output file', - prompt='Ground state data output') -@click.option('-f', '--format', - type=click.Choice(['SCONE', 'Serpent'], case_sensitive=False), - default='SCONE', - show_default=True, - help='Format of output library') -def relaxation(input, output_trans, output_ground, format): - """Generate atomic relaxation data library from ENDF. - - [INPUT] is a list of ENDF files you want to include in the library - - """ - - # Gracefull exit if no files were given - if len(input) == 0: - print('Failed. No files were given') - return - - # Generate libraries as strings - if format.lower() == 'scone': - print('bla') - elif format.lower() == 'serpent': - res = serpent_relaxation_lib(input) - - # Print to files - with open(output_trans, 'w') as f: - f.write(res[0]) - with open(output_ground, 'w') as f: - f.write(res[1]) - - # Print end - print('Success!') diff --git a/cream/cream/endf.py b/cream/cream/endf.py deleted file mode 100644 index b7612d083..000000000 --- a/cream/cream/endf.py +++ /dev/null @@ -1,461 +0,0 @@ -import re - -ENDF_FLOAT_REG = re.compile(r"\s*(([-+]?\d+.\d*)([-+]\d\d?))\s*") - -ENDF_NLIB = {0: 'ENDF/B', - 1: 'ENDF/A', - 2: 'JEFF', - 3: 'EFF', - 5: 'CENDL', - 6: 'JENDL', - 21: 'SG-23', - 31: 'INDL/V', - 32: 'INDL/A', - 33: 'FENDL', - 34: 'IRDF', - 35: 'BROND-IAEA', - 36: 'INGDB-90', - 37: 'FENDL/A', - 41: 'BROND'} - -ENDF_IPART = {0: 'Photon', - 1: 'Neutron', - 11: 'Electron'} - -ENDF_SUBLIB = {0: 'Photo-Nuclear Data', - 1: 'Photo-Induced Fission Product Yields', - 3: 'Photo-Atomic Interaction Data', - 4: 'Radioactive Decay Data', - 5: 'Spontaneous Fission Product Yields', - 6: 'Atomic Relaxation Data', - 10: 'Incident Neutron Data', - 11: 'Neutron-Induced Fission Product Yields', - 12: 'Thermal Neutron Scattering Data', - 113: 'Electro-Atomic Interaction Data', - 10010: 'Incident-Proton Data', - 10011: 'Proton-Induced Fission Product Yields', - 10020: 'Incident-Deuteron Data'} - - -ENDF_MF = {1: 'General information', - 2: 'Resonance parameter data', - 3: 'Reaction cross sections', - 4: 'Angular distributions for emitted particles', - 5: 'Energy distributions for emitted particles', - 6: 'Energy-angle distributions for emited particles', - 7: 'Thermal neutron scattering law data', - 8: 'Radioactivity and fission-product yield data', - 9: 'Multiplicities for radioactive nuclide production', - 10: 'Cross sections for radioactive nuclide production', - 12: 'Multiplicities for photon production', - 13: 'Cross sections for photon production', - 14: 'Angular distributions for photon production', - 15: 'Energy distributions for photon production', - 23: 'Photo- or electro-atomic interaction cross sections', - 26: 'Electro-atomic angle and energy distribution', - 27: ('Atomic form factors or scattering functions for photo-atomi' - ' interactions'), - 28: 'Atomic relaxation data', - 30: 'Data covariances obtained from covariances and sensitivities', - 31: 'Data covariances for nu(bar)', - 32: 'Data covariances for resonance parameters', - 33: 'Data covariances for reaction cross-sections', - 34: 'Data covariances for angular distributions', - 35: 'Data covariances for energy distributions', - 39: 'Data covariances for radionuclide production yields', - 40: 'Data covariances for radionuclide production cross-sections'} - - -def endf2float(st): - """ Convert string from ENDF file into Float - - Args: - st (str): Character string that contains ENDF float number - e.g. "-1.23456+6; 1.23456+38" - - Result: - float: Converted number from the string - - Raises: - ValueError: If conversion fails - """ - # Match Regular Expression - res = ENDF_FLOAT_REG.match(st) - if res: - return float(res[2] + 'E' + res[3]) - else: - return float(st) - - -def endf2int(st): - """ Convert sring from ENDF finto Integer - - Args: - st (str): CHaracter string that contains ENDF integer - e.g. " 3"; " "; "1" - Result: - int: Converted integer. If string contains only blanks gives 0 - - Raises: - ValueError: If conversion fails - """ - if st.isspace(): - return 0 - else: - return int(st) - - -class ENDFTape: - """ Class wrapper around an ENDF file on disk - - Contains a single ENDF Tape (ASCII File od disk). - It can hold multiple evaluations. Each with MAT ID e.g 9238 for U-238 - It is assumed that combinations of MAT ID, MF file number and MT section - numer are UNIQUE. There is no check if this is the case at the moment. - - For more information about ENDF-6 format. In particular documentation - of diffrent data records (HEAD, TAB1, ...) refer to [1]. - - Example: - You can us this class like this:: - - tape = ENDFTape(path) - if (tape.has(MAT=600, MF=2, MT=13)): - # Read data - data = tape.readHEAD() - # Do smth with data - data = tape.readTAB1() - ... - else: - raise ValueError('MAT 600, MF = 2 and MT=13 was not found') - - References: - [1] A. Trkov, M. Herman, and D. A. Brown, ‘ENDF-6 formats manual’, - Data Formats and Procedures for the Evaluated Nuclear Data Files - ENDF/B-VI and ENDF/B-VII, National Nuclear Data Center Brookhaven - National Laboratory, Upton, NY, pp. 11973–5000, 2012. - """ - def __init__(self, path): - """ Initialise ENDF file from path in filesystem - - Args: - path (str): Path to the ENDF file - """ - # Open file for reading - self._handle = open(path) - self._map = dict() - self._lineMap = dict() - - # Go through file and create line map - # Skip first line following advice that TPID record is often - # ill-formated - self._handle.readline() - - # Iterate over lines saving MAT, MF, MT Locations - save = True - while True: - # Save position and read a line - pos = self._handle.tell() - line = self._handle.readline() - - # Get parameters from line - MAT = endf2int(line[66:70]) - MF = endf2int(line[70:72]) - MT = endf2int(line[72:75]) - - # Update state - if MAT == -1: - # Terminate if end is reached. Must be checked first - break - - elif save and 0 not in {MAT, MF, MT}: - # Need to save and line is not terminator - self._map[(MAT, MF, MT)] = pos - save = False - - elif 0 in {MAT, MF, MT}: - # Read terminato, needs to save next file location - save = True - # Rewind file to the top - self._handle.seek(0) - - # Create dictionary with inventory information - for key, pos in self._map.items(): - # Restructure self._lineMap into tree of dictionaries with - # a horrible one-liner - self._lineMap.setdefault(key[0], dict()) \ - .setdefault(key[1], dict())[key[2]] = pos - - def __del__(self): - self._handle.close() - - def __repr__(self): - st = "" - st += "Opened File: " + self._handle.name - return st - - def __str__(self): - return self._handle.name - - def has(self, MAT, MF=None, MT=None): - """ Enquire about contents of a tape - - MF and MT set to None (default) are ignored. For example: - tape.has(600) # Returns True if there is MAT=600 in the tape - tape.has(600,1) # Returns True if there if MAT=600 that has MF=1 - - Args: - MAT (int): MAT=Z*100+(A mod 100) Identifier e.g - 612 for C-12; 9238 fro U-238; 100 for natural or atomic H; - MF (int, optional): File Identifier e.g. 2 for Resonance Data - MT (int, optional): Section ID in specific MF file e.g. 1 - in MF=3 for total XS. - - Result: - True if the combination is present. False otherwise. - - Raises: - ValueError: If MT is provided without MF - """ - if MT is not None and MF is None: - raise ValueError('MT was given without MF. You must define MF.') - - res = self._lineMap.get(MAT) - if MF is not None and res is not None: - res = res.get(MF) - if MT is not None and res is not None: - res = res.get(MT) - return res is not None - - def get(self, MAT=None, MF=None, MT=None): - """ Return all combinations that match MAT, MF, MT pattern - - Args: - MAT (int, optional): MAT=Z*100+(A mod 100) Identifier e.g - 612 for C-12; 9238 fro U-238; 100 for natural or atomic H; - MF (int, optional): File Identifier e.g. 2 for Resonance Data - MT (int, optional): Section ID in specific MF file e.g. 1 - in MF=3 for total XS. - Result: - Set of ``(MAT, MF, MT)`` tuples that match the pattern. - Empty set if no matches were found. - """ - res = list() - for trip in self._map: - save = True - save = save and (trip[0] == MAT if MAT is not None else True) - save = save and (trip[1] == MF if MF is not None else True) - save = save and (trip[2] == MT if MT is not None else True) - if save: - res.append(trip) - return res - - def set_to(self, MAT, MF, MT): - """ Set Position in the file to beginning of MAT-MF-MT - - Puts the file reader at the beginning of a section of an ENDF tape - which is specified by MAT material identifier (e.g. 612), MF file - ID (e.g. 1-general Info), and MT ID of file section (e.g. 451 for - evaluation information) - - Args: - MAT (int): MAT=Z*100+(A mod 100) Identifier e.g - 612 for C-12; 9238 fro U-238; 100 for natural or atomic H; - MF (int): File Identifier e.g. 2 for Resonance Data - MT (int): Section ID in specific MF file e.g. 1 in MF=3 for - total XS. - - Raises: - ValueError: If combination of MAT, MF and MT in not present in the - tape. - """ - if not self.has(MAT, MF, MT): - msg = ('Cannot set to MAT: {0} MF: {1} MT: {2} becouse this' - ' combination is not present in file: {3}' - .format(MAT, MF, MT, self._handle.name)) - raise ValueError(msg) - - pos = self._lineMap.get(MAT).get(MF).get(MT) - self._handle.seek(pos, 0) # Rewind file to the location - - def read_send(self): - """ Read SEND record. - - Result: - True if next line is SEND record. - """ - line = self._handle.readline() - MAT = endf2int(line[66:70]) - MF = endf2int(line[70:72]) - MT = endf2int(line[72:75]) - - return (MAT != 0) and (MF != 0) and (MT == 0) - - def read_fend(self): - """ Read FEND record - - Result: - True if next line is FEND record. - """ - line = self._handle.readline() - MAT = endf2int(line[66:70]) - MF = endf2int(line[70:72]) - MT = endf2int(line[72:75]) - - return (MAT != 0) and (MF == 0) and (MT == 0) - - def read_mend(self): - """ Read MEND record - - Result: - True if next line is MEND record. - """ - line = self._handle.readline() - MAT = endf2int(line[66:70]) - MF = endf2int(line[70:72]) - MT = endf2int(line[72:75]) - - return (MAT == 0) and (MF == 0) and (MT == 0) - - def read_text(self): - """ Read TEXT record - - Result: - String with text characters - """ - line = self._handle.readline() - return line[0:66] - - def read_cont(self): - """ Read CONT Record - - Result: - (tuple): tuple containing 6 elements: - - * C1,C2 (float): Some floats - * L1, L2, N1, N2 (int): Some integers - """ - line = self._handle.readline() - return (endf2float(line[0:11]), - endf2float(line[11:22]), - endf2int(line[22:33]), - endf2int(line[33:44]), - endf2int(line[44:55]), - endf2int(line[55:66])) - - def read_head(self): - """ Read HEAD Record - - Has the same form as CONT - - Result: - (tuple): tuple containig 6 elements: - - * ZA (float): ZZAAA ID of the nuclide e.g. 92238 for U-238 - * AWR (float): Atomic Mass - * L1, L2, N1, N2 (int): Some integers - """ - return self.read_cont() - - def read_dir(self): - """ Read DIR Record - - Result: - (tuple): tuple containing 4 integers ``(L1, L2, N1, N2)`` - """ - line = self._handle.readline() - return (endf2int(line[22:33]), - endf2int(line[33:44]), - endf2int(line[44:55]), - endf2int(line[55:66])) - - def read_list(self): - """ Read LIST Record - - Result: - (tuple): tuple containing 7-elements: - - * C1,C2 (float): - * L1,L2 (int): - * NPL (int): Number of elements in the list - * N2 (int): - * list (list of float): Content of the list - """ - # Read first line - head = self.read_cont() - NPL = head[4] - lis = list() - for i in range((NPL - 1)//6 + 1): - line = self._handle.readline() - n = min(6, NPL - 6*i) - lis += list(map(endf2float, line[0:11*n].split())) - return (*head, lis) - - def read_tab1(self): - """ Read TAB1 Record - - Result: - (tuple): tuple containing 10 elements: - - * C1, C2 (float): - * L1, L2 (int): - * NR (int): Number of diffrent interpolation regions - * NP (int): Number of points in the table - * NBT (list of int): Interpolation region boundaries - * INT (list of int): Interpolation flags - * x (list of float): X-values in the table - * y (list of float): Y-values in the table - """ - data = self.read_cont() - NR = data[4] - NP = data[5] - - # Read interpolation regions - NBT = list() - INT = list() - if NR != 0: - for i in range((NR - 1)//3 + 1): - line = self._handle.readline() - n = min(3, NR - 3*i) - nums = list(map(endf2int, line[0:22*n].split())) - NBT += nums[::2] - INT += nums[1::2] - - # Read the table - x = list() - y = list() - for i in range((NP - 1)//3 + 1): - line = self._handle.readline() - n = min(3, NP - 3*i) - nums = list(map(endf2float, line[0:22*n].split())) - x += nums[::2] - y += nums[1::2] - return (*data, NBT, INT, x, y) - - def read_tab2(self): - """ Read TAB2 record - - Result: - (tuple): tuple containing 8 elements: - - * C1,C2 (float): - * L1,L2 (int): - * NR (int): Number of interpolation regions in z-axis - * NZ (int): Number of points on z-axis - * NBT (list of int): Location of interpolation regions - * INT (list of int): Interpolation flags - """ - data = self.read_cont() - NR = data[4] - - # Read interpolation regions - NBT = list() - INT = list() - if NR != 0: - for i in range((NR - 1)//3 + 1): - line = self._handle.readline() - n = min(3, NR - 3*i) - nums = list(map(endf2int, line[0:22*n].split())) - NBT += nums[::2] - INT += nums[1::2] - return (*data, NBT, INT) diff --git a/cream/pyproject.toml b/cream/pyproject.toml new file mode 100644 index 000000000..9d98f5349 --- /dev/null +++ b/cream/pyproject.toml @@ -0,0 +1,17 @@ +[build-system] +requires = ["setuptools"] +build-backend = "setuptools.build_meta" + +[project] +name = "cream" +version = "0.1.0" +description = "Command Line Utility for SCONE MC Code" +license = "MIT" +dependencies = ["click"] +requires-python = ">= 3.9" + +[project.optional-dependencies] +test = ["pytest"] + +[project.scripts] +cream = "cream:main" diff --git a/cream/pytest.ini b/cream/pytest.ini new file mode 100644 index 000000000..df3eb518d --- /dev/null +++ b/cream/pytest.ini @@ -0,0 +1,2 @@ +[pytest] +addopts = --doctest-modules diff --git a/cream/setup.py b/cream/setup.py deleted file mode 100644 index b304b2893..000000000 --- a/cream/setup.py +++ /dev/null @@ -1,33 +0,0 @@ -from setuptools import setup, find_packages - -kwargs = { - # Basic Info - 'name': 'cream', - 'version': '0.1.0', - 'description': 'Command Line Utility for SCONE MC Code', - 'licence': 'MIT', - - # Packages & Scripts - 'packages': find_packages(exclude=['tests*']), - 'entry_points': { - 'console_scripts': [ - 'cream = cream.__main__:main' - ] - }, - - # Clasifiers - 'classifiers': [ - 'Development Status :: 1 -Planning', - 'Programming Language :: Fortran', - ], - - - # Depedencies - 'python_requires': '>=3.6', - 'instal_requires': ['click'], - 'extras_require': { - 'test': ['pytest'] - } -} - -setup(**kwargs) diff --git a/cream/test/__init__.py b/cream/test/__init__.py deleted file mode 100644 index e69de29bb..000000000 diff --git a/cream/test/files/sample.endf b/cream/test/files/sample.endf deleted file mode 100644 index 2ce417311..000000000 --- a/cream/test/files/sample.endf +++ /dev/null @@ -1,2920 +0,0 @@ - $Rev:: 532 $ $Date:: 2011-12-05#$ 1 0 0 0 - 1.102200+4 2.180550+1 1 0 0 01122 1451 1 - 0.000000+0 1.000000+0 0 0 0 61122 1451 2 - 1.000000+0 2.000000+7 1 0 10 71122 1451 3 - 0.000000+0 0.000000+0 0 0 78 461122 1451 4 - 11-Na- 22 NEA RCOM-JUN83 Scientific Co-ordination Group 1122 1451 5 - DIST-DEC06 REV1-MAY05 20111222 1122 1451 6 -----ENDF/B-VII.1 MATERIAL 1122 REVISION 1 1122 1451 7 ------INCIDENT NEUTRON DATA 1122 1451 8 -------ENDF-6 FORMAT 1122 1451 9 -***************************** ENDF/B-VII *************************1122 1451 10 -** **1122 1451 11 -** Original data taken from: JEFF-3.1 **1122 1451 12 -** **1122 1451 13 -******************************************************************1122 1451 14 - 1122 1451 15 -***************************** JEFF-3.1 *************************1122 1451 16 -** **1122 1451 17 -** Original data taken from: JEFF-3.0 **1122 1451 18 -** **1122 1451 19 -******************************************************************1122 1451 20 - 1122 1451 21 -***************************** JEFF-3.0 *************************1122 1451 22 - 1122 1451 23 - Skeleton MF-5 MT-22,28 added 1122 1451 24 - 1122 1451 25 - DATA TAKEN FROM :- JEF-2.2 (DIST-JAN92) 1122 1451 26 - 1122 1451 27 -******************************************************************1122 1451 28 -* JEF-2 *1122 1451 29 -* DATA WERE TAKEN FROM RCN-2 EVALUATION (MAT=4112). *1122 1451 30 -******************************************************************1122 1451 31 -* 11-JAN-85: DATA WERE EXTENDED DOWN TO 1.0E-5 EV AFTER 1122 1451 32 -* CONSULTAION WITH H.GRUPPELAAR. 1122 1451 33 -* 8-FEB-85: Q-VALUE FOR MT=102,103 AND 107 INSERTED 1122 1451 34 -* Q-VALUE FOR MT=108 INSERTED AND THRESHOLD ENERGY 1122 1451 35 -* ADJUSTED 1122 1451 36 -******************************************************************1122 1451 37 - 1122 1451 38 - ORIGINAL DATA IN KEDAK FORMAT WERE TRANSLATED INTO ENDF/B 1122 1451 39 - FORMAT WITH KTOE-3. 1122 1451 40 - 1122 1451 41 -******************************************************************1122 1451 42 - 1122 1451 43 - EVAL. FOR: SODIUM - 22 DISTR: NOV 82 1122 1451 44 - 1122 1451 45 -ORIGINAL COMMENT IS: 1122 1451 46 - 1122 1451 47 - RCN-2 EVALUATION H.GRUPPELAAR AND H.A.J.VAN DER KAMP NA022D 29/111122 1451 48 - MINIMUM ENERGY .00100 EV 1122 1451 49 - MIN EN OF STATISTICAL MODEL 21.50000 KEV 1122 1451 50 - ENERGY OF FIRST EXCITED STATE .58300 MEV 1122 1451 51 - CONTINUOUS STAT MODEL ABOVE 3.51900 MEV 1122 1451 52 - HIGH ENERGY MODEL ABOVE 11.00000 MEV 1122 1451 53 - MAXIMUM ENERGY 20.00000 MEV 1122 1451 54 - LEVEL DENSITY PARAMETER NA022 3.50000 1/MEV 1122 1451 55 - LEVEL DENSITY PARAMETER NA021 3.50000 1/MEV 1122 1451 56 - *****CROSS SECTIONS FOR NUCLIDES IN COOLING CIRCUIT OF LMFBR****1122 1451 57 - *****SODIUM-22**************************************************1122 1451 58 - RESOLVED RESONANCE REGION UPTO 15 KEV (REVISED NOVEMBER 1982) 1122 1451 59 - THERMAL ABSORBTION CROSS SECTION = 29000+-1000 BARN (MU81) 1122 1451 60 - CALCULATED VALUE OF RESONANCE INTEGRAL= 14700B. 1122 1451 61 - RESOLVED RESONANCE PARAMETERS: ONLY ONE RESONANCE 1122 1451 62 - MEASURED BY GLEDENOV ET AL.(GL82); THE NEUTRON WIDTH OF 1122 1451 63 - THIS RESONANCE HAS BEEN MODIFIED IN ORDER TO FIT 1122 1451 64 - THE VALUE OF THE THERMAL ABSORBTION CROSS SECTION TO 1122 1451 65 - THE ADOPTED VALUE OF MUGHABGHAB(MU81). 1122 1451 66 - STRENGTH FUNCTION REGION UP TO 100 KEV. 1122 1451 67 - CAPTURE CROSS SECTIONS WITH CODE FISPRO-ECN 1122 1451 68 - STRENGTH FUNCTIONS FROM OPTICAL MODEL FOR NA-23 (LA80) 1122 1451 69 - DOBS=30.8 KEV ,FROM BECKERMANN (BE77) 1122 1451 70 - S-WAVE CAPTURE WIDTH=1.0 EV, 1122 1451 71 - P-WAVE CAPTURE WIDTH=5.4 EV, CALCULATED WITH CERBERO 1122 1451 72 - HIGH ENERGY REGION ABOVE 0.1 MEV. 1122 1451 73 - CROSS SECTIONS WITH CODE SASSI-ECN, CERBERO, ERINNI,THRES-2 1122 1451 74 - OPTICAL MODEL PARAMETERS FROM LARSON(LA80) 1122 1451 75 - LEVEL SCHEME OF TARGET NUCLEUS FROM ENDT ET AL.(EN78) 1122 1451 76 - SQUARED SPIN CUTOFF PARAMETER=6.55 FROM EXPERIMENTAL SPIN 1122 1451 77 - DISTRIBUTION 1122 1451 78 - CHARGED PARTICLE EMISSION CROSS SECTION FROM CERBERO,ERINNI 1122 1451 79 - ***************** PROGRAM LINEAR (VERSION 83-1) *****************1122 1451 80 - DATA LINEARIZED TO WITHIN AN ACCURACY OF 0.100 PER-CENT 1122 1451 81 - 1122 1451 82 - 1 451 128 01122 1451 83 - 2 151 155 01122 1451 84 - 3 1 137 01122 1451 85 - 3 2 123 01122 1451 86 - 3 4 17 01122 1451 87 - 3 16 7 01122 1451 88 - 3 22 7 01122 1451 89 - 3 28 8 01122 1451 90 - 3 51 14 01122 1451 91 - 3 52 14 01122 1451 92 - 3 53 13 01122 1451 93 - 3 54 13 01122 1451 94 - 3 55 12 01122 1451 95 - 3 56 11 01122 1451 96 - 3 57 11 01122 1451 97 - 3 58 11 01122 1451 98 - 3 59 10 01122 1451 99 - 3 60 9 01122 1451 100 - 3 61 9 01122 1451 101 - 3 91 12 01122 1451 102 - 3 102 131 01122 1451 103 - 3 103 76 01122 1451 104 - 3 104 8 01122 1451 105 - 3 107 76 01122 1451 106 - 3 108 9 01122 1451 107 - 3 251 16 01122 1451 108 - 4 2 142 01122 1451 109 - 4 16 2 01122 1451 110 - 4 22 2 01122 1451 111 - 4 28 2 01122 1451 112 - 4 51 2 01122 1451 113 - 4 52 2 01122 1451 114 - 4 53 2 01122 1451 115 - 4 54 2 01122 1451 116 - 4 55 2 01122 1451 117 - 4 56 2 01122 1451 118 - 4 57 2 01122 1451 119 - 4 58 2 01122 1451 120 - 4 59 2 01122 1451 121 - 4 60 2 01122 1451 122 - 4 61 2 01122 1451 123 - 4 91 2 01122 1451 124 - 5 16 7 01122 1451 125 - 5 22 7 01122 1451 126 - 5 28 7 01122 1451 127 - 5 91 15 01122 1451 128 - 0.000000+0 0.000000+0 0 0 0 01122 1 099999 - 0.000000+0 0.000000+0 0 0 0 01122 0 0 0 - 1.102200+4 2.180550+1 0 0 1 01122 2151 1 - 1.102200+4 1.000000+0 0 0 2 01122 2151 2 - 1.000000-5 1.500000+4 1 2 0 01122 2151 3 - 3.000000+0 5.700000-1 0 0 1 01122 2151 4 - 2.180550+1 0.000000+0 0 0 6 11122 2151 5 - 1.450000+2 3.500000+0 2.990000+1 2.890000+1 1.000000+0 0.000000+01122 2151 6 - 1.500000+4 1.000000+5 2 2 0 01122 2151 7 - 3.000000+0 5.700000-1 0 0 3 01122 2151 8 - 2.180550+1 0.000000+0 0 0 2 01122 2151 9 - 2.500000+0 0.000000+0 2 0 66 101122 2151 10 - 0.000000+0 0.000000+0 0.000000+0 1.000000+0 0.000000+0 0.000000+01122 2151 11 - 1.500000+4 5.579370+4 0.000000+0 7.476360+0 1.081650+0 0.000000+01122 2151 12 - 2.000000+4 5.579370+4 0.000000+0 7.476360+0 1.081650+0 0.000000+01122 2151 13 - 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1.102200+4 2.180550+1 0 0 2 01122 5 91 1 - 3.519000+6 0.000000+0 0 9 1 41122 5 91 2 - 4 2 1122 5 91 3 - 3.519000+6 1.000000+0 1.100000+7 1.000000+0 1.100000+7 0.000000+01122 5 91 4 - 2.000000+7 0.000000+0 1122 5 91 5 - 0.000000+0 0.000000+0 0 0 1 31122 5 91 6 - 3 2 1122 5 91 7 - 3.519000+6 2.176690+6 9.000000+6 2.188460+6 2.000000+7 2.912650+61122 5 91 8 - 6.000000+5 0.000000+0 0 9 1 41122 5 91 9 - 4 2 1122 5 91 10 - 3.519000+6 0.000000+0 1.100000+7 0.000000+0 1.100000+7 1.000000+01122 5 91 11 - 2.000000+7 1.000000+0 1122 5 91 12 - 0.000000+0 0.000000+0 0 0 1 31122 5 91 13 - 3 2 1122 5 91 14 - 3.519000+6 2.176690+6 9.000000+6 2.188460+6 2.000000+7 2.912650+61122 5 91 15 - 0.000000+0 0.000000+0 0 0 0 01122 5 099999 - 0.000000+0 0.000000+0 0 0 0 01122 0 0 0 - 0.000000+0 0.000000+0 0 0 0 0 0 0 0 0 - 6.000000+3 1.190780+1 -1 0 0 1 600 1451 1 - 0.000000+0 0.000000+0 0 0 0 6 600 1451 2 - 0.000000+0 1.000000+8 8 0 3 7 600 1451 3 - 0.000000+0 0.000000+0 0 0 136 16 600 1451 4 - 6-C - 0 LLNL EVAL-Jul97 D.E.Cullen, et al. 600 1451 5 -UCRL50400,Vol.6,Rev.5 DIST-DEC06 20010927 600 1451 6 -----ENDF/B-VII MATERIAL 600 600 1451 7 ------PHOTO-ATOMIC INTERACTION DATA 600 1451 8 -------ENDF-6 FORMAT 600 1451 9 - ================================================================= 600 1451 10 - The Livermore Evaluated Photon Data Library (EPDL97) in the 600 1451 11 - ENDF/B-VI format 600 1451 12 - ================================================================= 600 1451 13 - Contents 600 1451 14 - ================================================================= 600 1451 15 - MF/MT Description 600 1451 16 - ================================================================= 600 1451 17 - 23/501 Total cross sections 600 1451 18 - 23/502 Coherent scattering cross sections 600 1451 19 - 23/504 Incoherent scattering cross sections 600 1451 20 - 23/515 Pair production cross sections, Electron field 600 1451 21 - 23/516 Pair production cross sections, Total 600 1451 22 - 23/517 Pair production cross sections, Nuclear field 600 1451 23 - 23/522 Total photoionization cross section 600 1451 24 - 23/534 K (1S1/2) Photoionization subshell cross section 600 1451 25 - 23/535 L1 (2S1/2) Photoionization subshell cross section 600 1451 26 - 23/536 L2 (2P1/2) Photoionization subshell cross section 600 1451 27 - 23/537 L3 (2P3/2) Photoionization subshell cross section 600 1451 28 - ================================================================= 600 1451 29 - 27/502 Coherent scattering form factors 600 1451 30 - 27/504 Incoherent scattering functions 600 1451 31 - 27/505 Imaginary anomalous scattering factor 600 1451 32 - 27/506 Real anomalous scattering factor 600 1451 33 - ================================================================= 600 1451 34 - Warning 600 1451 35 - ================================================================= 600 1451 36 - MF/MT combinations used to define photoionization subshell cross 600 1451 37 - sections (MF=23, MT=534-572) and coherent anomalous scattering 600 1451 38 - factors (MF=27, MT=505 AND 506) are newly defined MF/MT numbers 600 1451 39 - for ENDF/B-VI that did not exist in earlier versions of ENDF/B. 600 1451 40 - If you are not prepared to use this data you need merely delete 600 1451 41 - it and all of the remaining data will still be consistent and 600 1451 42 - equivalent to the types of data in earlier versions of ENDF/B. 600 1451 43 - However, this will limit the range of problems to which this 600 1451 44 - data can be applied (see: ref. 1 for details). 600 1451 45 - ================================================================= 600 1451 46 - Definition of new types of data 600 1451 47 - ================================================================= 600 1451 48 - 1) The total photoionization cross section is equal to the sum 600 1451 49 - of the photoionization subshell cross sections. 600 1451 50 - 600 1451 51 - For each subshell on the second line of a section the C1 and 600 1451 52 - C2 fields are defined as, 600 1451 53 - 600 1451 54 - EPE = The photoionization edge energy (similar to Q-value) 600 1451 55 - EFL = The fluorescence yield (eV/photoionization) 600 1451 56 - 600 1451 57 - 2) The angular distribution of coherently scattered photons is, 600 1451 58 - 600 1451 59 - S(E,MU) = 3*T/8*(1 + MU**2)*((FF(M)+F1(E))**2+(F2(E))**2) 600 1451 60 - 600 1451 61 - S(E,MU) = Angular distributions (barns per unit cosine) 600 1451 62 - T = The Thomson cross section 600 1451 63 - MU = The cosine of the scattering angle 600 1451 64 - FF(M) = The atomic form factor 600 1451 65 - M = Momentum transfer = SIN(THETA/2)/LAMBDA/4*PI 600 1451 66 - F1(E) = The real anomalous scattering factor 600 1451 67 - F2(E) = The imaginary anomalous scattering factor 600 1451 68 - 600 1451 69 - F1(E) and F2(E) are isotropic. 600 1451 70 - 600 1451 71 - When F1(E) = F2(E) = 0 this reduces to the result obtained 600 1451 72 - using only form factors (the older ENDF/B convention). 600 1451 73 - ================================================================= 600 1451 74 - Differences between EPDL97 and the data base presented here 600 1451 75 - ================================================================= 600 1451 76 - 1) Energy range - EPDL97 - 1 eV to 100 GeV 600 1451 77 - Here - 1 eV TO 100 GeV (previously 100 MeV) 600 1451 78 - 2) Type of Data - EPDL97 - Photon interaction including 600 1451 79 - photoexcitation 600 1451 80 - Here - Photon interaction - ENDF/B-VI has 600 1451 81 - no provision for photoexcitation 600 1451 82 - 3) Secondary E - EPDL97 - Average energy of each secondary 600 1451 83 - (photons, electrons, positrons) 600 1451 84 - HERE - No secondary energy data 600 1451 85 - 4) Interpolation- EPDL97 - Cross sections are Log X vs. Log Y 600 1451 86 - interpolable - the total cross 600 1451 87 - section is not included 600 1451 88 - - Form factors and scattering functions 600 1451 89 - are Log X vs. Log y, except first 600 1451 90 - interval. 600 1451 91 - - Anomalous scattering factors linearly 600 1451 92 - interpolable (they can be negative) 600 1451 93 - Here - Up through ENDF/B-V photon interaction 600 1451 94 - cross sections were Log X vs. Log Y. 600 1451 95 - - For the first two Mods. of ENDF/B-VI 600 1451 96 - in order to consistently define the 600 1451 97 - total cross sections at ALL energies 600 1451 98 - all cross sections were linearized. 600 1451 99 - This was NOT a good idea. 600 1451 100 - - Starting with Mod. 3, cross sections 600 1451 101 - are left in Log X vs. Log. Y form so 600 1451 102 - that they are IDENTICAL to what's in 600 1451 103 - EPDL97. 600 1451 104 - The total is defined ONLY at the 600 1451 105 - energies tabulated in any other cross 600 1451 106 - section. 600 1451 107 - WARNING - As a result the total cross section 600 1451 108 - MUST NOT be interpolated to define the 600 1451 109 - total between tabulated energies. The 600 1451 110 - ONLY consist way to define the total 600 1451 111 - between tabulated energies is to 600 1451 112 - interpolate all of the partials and 600 1451 113 - add them up. 600 1451 114 - ================================================================= 600 1451 115 - References 600 1451 116 - ================================================================= 600 1451 117 - 1) D.E. Cullen, M.H. Chen, J.H. Hubbell, S.T. Perkins, 600 1451 118 - E.F. Plechaty, J.A. Rathkopf and J.H. Scofield, Tables and 600 1451 119 - graphs of photon interaction cross sections from 10 eV to 100 600 1451 120 - GeV derived from the LLNL Evaluated Photon data library (EPDL), 600 1451 121 - UCRL-50400, Vol. 6, Rev. 4, Part A: Z = 1 to 50 and Part B: 600 1451 122 - Z = 51 to 100, Lawrence Livermore National Laboratory (1989) 600 1451 123 - 600 1451 124 - 2) D.E. Cullen, J.H. Hubbell and L.D. Kissel, EPDL97: the 600 1451 125 - Evaluated Photon Data Library, '97 Version, UCRL-50400, Vol. 6, 600 1451 126 - Rev. 5, Lawrence Livermore National Laboratory (1997) 600 1451 127 - 600 1451 128 - These are the primary references to the contents of this library 600 1451 129 - and they contain a complete list of references to the sources 600 1451 130 - of data used in this library, methods of evaluation, accuracy 600 1451 131 - of the data, etc. 600 1451 132 - ================================================================= 600 1451 133 - History 600 1451 134 - ================================================================= 600 1451 135 - Mod. 1 - October, 1989 - Initial release. 600 1451 136 - Mod. 2 - August, 1990 - Updated photoionization total and 600 1451 137 - subshell cross sections. 600 1451 138 - Mod. 3 - July, 1997 - Complete re-evaluation. 600 1451 139 - ================================================================= 600 1451 140 - 1 451 156 1 600 1451 141 - 23 501 407 1 600 1451 142 - 23 502 215 1 600 1451 143 - 23 504 40 1 600 1451 144 - 23 515 31 1 600 1451 145 - 23 516 45 1 600 1451 146 - 23 517 35 1 600 1451 147 - 23 522 122 1 600 1451 148 - 23 534 29 1 600 1451 149 - 23 535 40 1 600 1451 150 - 23 536 42 1 600 1451 151 - 23 537 41 1 600 1451 152 - 27 502 49 1 600 1451 153 - 27 504 51 1 600 1451 154 - 27 505 94 1 600 1451 155 - 27 506 117 1 600 1451 156 - 0.000000+0 0.000000+0 0 0 0 0 600 1 099999 - 0.000000+0 0.000000+0 0 0 0 0 600 0 0 0 - 6.000000+3 1.190780+1 0 0 0 0 60023501 1 - 0.000000+0 0.000000+0 0 0 1 1210 60023501 2 - 1210 5 60023501 3 - 1.000000+0 5.091476-5 1.086769+0 7.206259-5 1.125000+0 8.360365-5 60023501 4 - 1.155754+0 9.305829-5 1.191871+0 1.054148-4 1.258900+0 1.326669-4 60023501 5 - 1.267527+0 1.365303-4 1.307137+0 1.547031-4 1.347985+0 1.758113-4 60023501 6 - 1.390109+0 2.005435-4 1.423828+0 2.225907-4 1.478349+0 2.600358-4 60023501 7 - 1.524547+0 2.964139-4 1.584900+0 3.514655-4 1.601807+0 3.682178-4 60023501 8 - 1.671987+0 4.417854-4 1.724236+0 5.054749-4 1.802032+0 6.162299-4 60023501 9 - 1.890987+0 7.601636-4 1.950081+0 8.732292-4 1.995300+0 9.699831-4 60023501 10 - 2.048000+0 1.093113-3 2.205507+0 1.521574-3 2.345505+0 2.016191-3 60023501 11 - 2.494390+0 2.691259-3 2.511900+0 2.783619-3 2.652725+0 3.621482-3 60023501 12 - 2.820256+0 4.910376-3 2.981672+0 6.529628-3 3.133157+0 8.489705-3 60023501 13 - 3.162300+0 8.927390-3 3.205368+0 9.607773-3 3.343091+0 1.213271-2 60023501 14 - 3.408741+0 1.354866-2 3.595563+0 1.857409-2 3.717102+0 2.279645-2 60023501 15 - 3.819385+0 2.703491-2 3.920918+0 3.211702-2 3.981100+0 3.559970-2 60023501 16 - 4.016105+0 3.776964-2 4.105342+0 4.406895-2 4.196260+0 5.168201-2 60023501 17 - 4.267434+0 5.860510-2 4.340963+0 6.694063-2 4.409897+0 7.603856-2 60023501 18 - 4.474523+0 8.595126-2 4.535109+0 9.670873-2 4.592129+0 1.083931-1 60023501 19 - 4.645159+0 1.208740-1 4.695080+0 1.343950-1 4.741882+0 1.489909-1 60023501 20 - 4.785758+0 1.647078-1 4.826892+0 1.815645-1 4.865456+0 1.995844-1 60023501 21 - 4.901609+0 2.188380-1 4.935502+0 2.394231-1 4.967278+0 2.614311-1 60023501 22 - 4.997067+0 2.849431-1 5.011900+0 2.980190-1 5.024994+0 3.100255-1 60023501 23 - 5.051176+0 3.367240-1 5.081138+0 3.718414-1 5.098733+0 3.951888-1 60023501 24 - 5.120306+0 4.271395-1 5.140531+0 4.610521-1 5.159492+0 4.970387-1 60023501 25 - 5.177268+0 5.352070-1 5.193933+0 5.756585-1 5.209556+0 6.184868-1 60023501 26 - 5.224203+0 6.637786-1 5.237934+0 7.116220-1 5.263681+0 8.191607-1 60023501 27 - 5.286209+0 9.392720-1 5.305921+0 1.073762+0 5.323169+0 1.225036+0 60023501 28 - 5.338261+0 1.395630+0 5.351466+0 1.587330+0 5.363021+0 1.800300+0 60023501 29 - 5.373132+0 2.032660+0 5.381978+0 2.280662+0 5.389719+0 2.539283+0 60023501 30 - 5.396493+0 2.802962+0 5.402419+0 3.066263+0 5.407605+0 3.324344+0 60023501 31 - 5.416680+0 3.845206+0 5.432420+0 4.987375+0 5.445202+0 6.166664+0 60023501 32 - 5.458386+0 7.634982+0 5.467625+0 8.812965+0 5.470704+0 9.230961+0 60023501 33 - 5.481130+0 1.072808+1 5.485779+0 1.142984+1 5.497503+0 1.325850+1 60023501 34 - 5.502109+0 1.398661+1 5.510932+0 1.536721+1 5.515509+0 1.606403+1 60023501 35 - 5.519905+0 1.671279+1 5.524302+0 1.733514+1 5.530583+0 1.816618+1 60023501 36 - 5.535392+0 1.874646+1 5.542265+0 1.947503+1 5.548616+0 2.002699+1 60023501 37 - 5.551101+0 2.020800+1 5.557801+0 2.059030+1 5.564501+0 2.080952+1 60023501 38 - 5.567252+0 2.085034+1 5.573907+0 2.082808+1 5.580069+0 2.065436+1 60023501 39 - 5.583238+0 2.050838+1 5.589777+0 2.008947+1 5.594776+0 1.966691+1 60023501 40 - 5.605118+0 1.853847+1 5.611111+0 1.774800+1 5.618098+0 1.672366+1 60023501 41 - 5.622080+0 1.609978+1 5.627428+0 1.522611+1 5.631522+0 1.453627+1 60023501 42 - 5.637374+0 1.353011+1 5.643487+0 1.246791+1 5.651597+0 1.106735+1 60023501 43 - 5.657459+0 1.007801+1 5.659972+0 9.663032+0 5.665834+0 8.721233+0 60023501 44 - 5.671696+0 7.822883+0 5.680141+0 6.617768+0 5.686450+0 5.792741+0 60023501 45 - 5.688820+0 5.500316+0 5.695930+0 4.681473+0 5.699921+0 4.260340+0 60023501 46 - 5.705908+0 3.679975+0 5.712575+0 3.104205+0 5.716083+0 2.829979+0 60023501 47 - 5.724181+0 2.268299+0 5.729765+0 1.935338+0 5.735305+0 1.645122+0 60023501 48 - 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6.056172+0 1.089058-2 6.080016+0 1.625673-2 6.102531+0 2.304297-2 60023501 62 - 6.144744+0 3.958167-2 6.181682+0 5.765481-2 6.246322+0 9.678062-2 60023501 63 - 6.309600+0 1.383139-1 6.371292+0 1.952408-1 6.440964+0 2.647013-1 60023501 64 - 6.488525+0 3.206559-1 6.536086+0 3.847970-1 6.583646+0 4.583368-1 60023501 65 - 6.647061+0 5.739829-1 6.768911+0 8.743974-1 6.831478+0 1.086854+0 60023501 66 - 6.886469+0 1.322299+0 6.911414+0 1.448844+0 6.934801+0 1.581265+0 60023501 67 - 6.978650+0 1.873777+0 7.017018+0 2.191497+0 7.050590+0 2.535343+0 60023501 68 - 7.079965+0 2.906957+0 7.105669+0 3.308986+0 7.128160+0 3.745018+0 60023501 69 - 7.147839+0 4.218476+0 7.165058+0 4.730794+0 7.180125+0 5.279872+0 60023501 70 - 7.193309+0 5.859620+0 7.204845+0 6.460680+0 7.214938+0 7.071822+0 60023501 71 - 7.223770+0 7.681472+0 7.239226+0 8.941810+0 7.250818+0 1.007007+1 60023501 72 - 7.278259+0 1.345784+1 7.301308+0 1.713258+1 7.316429+0 1.992661+1 60023501 73 - 7.321469+0 2.091449+1 7.331885+0 2.302547+1 7.339402+0 2.459083+1 60023501 74 - 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2.494751+3 1.290293-1 2.904728+3 1.037382-1 3.331882+3 8.452527-2 60027506 102 - 3.759558+3 7.016079-2 4.313279+3 5.640787-2 4.960017+3 4.484162-2 60027506 103 - 5.651635+3 3.595835-2 6.372299+3 2.913935-2 7.096802+3 2.398261-2 60027506 104 - 8.010522+3 1.916032-2 8.943569+3 1.550615-2 9.819387+3 1.288128-2 60027506 105 - 1.089497+4 1.040471-2 1.207466+4 8.337896-3 1.348720+4 6.484708-3 60027506 106 - 1.486181+4 5.118978-3 1.606610+4 4.177367-3 1.748328+4 3.292290-3 60027506 107 - 1.899507+4 2.541012-3 2.058217+4 1.910658-3 2.226224+4 1.374784-3 60027506 108 - 2.366261+4 1.007927-3 2.500294+4 7.087377-4 2.616420+4 4.837708-4 60027506 109 - 2.718098+4 3.082943-4 2.776254+4 2.159997-4 2.829937+4 1.352867-4 60027506 110 - 2.900354+4 3.613397-5 2.957978+4-4.021195-5 3.007087+4-1.067519-4 60027506 111 - 3.063018+4-1.786858-4 3.123502+4-2.522483-4 3.262238+4-4.048824-4 60027506 112 - 3.427678+4-5.622396-4 3.656598+4-7.460149-4 3.980445+4-9.538347-4 60027506 113 - 4.483275+4-1.191906-3 5.099572+4-1.393060-3 6.023131+4-1.586976-3 60027506 114 - 7.535259+4-1.764232-3 1.039676+5-1.913130-3 1.682815+5-2.015011-3 60027506 115 - 4.704354+5-2.069832-3 1.477239+6-2.077064-3 4.461192+6-2.077791-3 60027506 116 - 1.000000+7-2.077819-3 60027506 117 - 0.000000+0 0.000000+0 0 0 0 0 60027 099999 - 0.000000+0 0.000000+0 0 0 0 0 600 0 0 0 - 0.000000+0 0.000000+0 0 0 0 0 0 0 0 0 - 8.000000+3 15.8619530 -1 0 0 0 800 1451 1 - 0.000000+0 0.000000+0 0 0 0 6 800 1451 2 - 0.000000+0 0.000000+0 0 0 6 6 800 1451 3 - 0.000000+0 0.000000+0 0 0 59 2 800 1451 4 - 8-O - 0 LLNL Eval-Dec90 D.E.Cullen 800 1451 5 -UCRL-50400,Vol.30 Dist-Nov01 800 1451 6 -----ENDF/B-VI MATERIAL 100 800 1451 7 ------ATOMIC RELAXATION DATA 800 1451 8 -------ENDF-6 FORMAT 800 1451 9 -================================================================== 800 1451 10 -The Livermore Evaluated Atomic Data Library (EADL) in the 800 1451 11 -ENDF-6 Format. Translated from the Livermore ENDL format 800 1451 12 -to the ENDF-6 Format by Bob MacFarlane (Los Alamos). 800 1451 13 -================================================================== 800 1451 14 - Contents 800 1451 15 -================================================================== 800 1451 16 - MF/MT Description 800 1451 17 -================================================================== 800 1451 18 - 28/533 Atomic Relaxation Data for Electrons and Photons 800 1451 19 -================================================================== 800 1451 20 - Warning 800 1451 21 -================================================================== 800 1451 22 - MF/MT combinations used to define ALL electron interaction data 800 1451 23 - are newly defined MF/MT numbers for ENDF/B-VI that did not exist 800 1451 24 - in earlier versions of ENDF/B. 800 1451 25 -================================================================== 800 1451 26 - Definition of Data 800 1451 27 -================================================================== 800 1451 28 - Atomic Relaxation Data for Electrons and Photons 800 1451 29 -================================================================== 800 1451 30 -1) An atom can be ionized by a photon or an electron interaction. 800 1451 31 -2) The atomic relaxation data included here describes how a 800 1451 32 - singly ionized atom returns to neutrality, by emitting photons 800 1451 33 - (x-rays) and/or electrons (Auger, Coster-Kronig). 800 1451 34 -3) Data is given to define the transition probabilities between 800 1451 35 - subshells for radiative (x-ray emission) and non-radiative 800 1451 36 - (Auger, Coster-Kronig) transitions. 800 1451 37 -4) The complete spectrum of emitted photons and electrons can be 800 1451 38 - calculated using the data included here, e.g., see ref. 2, 800 1451 39 - below, for am example of a computer code that analytically 800 1451 40 - calculates these spectra. 800 1451 41 -================================================================== 800 1451 42 - References 800 1451 43 -================================================================== 800 1451 44 -1) S.T. Perkins, D.E. Cullen, etal., "Tables and Graphs of Atomic 800 1451 45 - Subshell and Relaxation Data Derived from the LLNL Evaluated 800 1451 46 - Atomic Data Library (EADL), Z = 1 - 100", UCRL-50400, Vol. 30, 800 1451 47 - Lawrence Livermore National Laboratory (1991). 800 1451 48 -2) D.E. Cullen "Program RELAX: A Code Designed to Calculate X-Ray 800 1451 49 - and Electron Emission Spectra as Singly Charged Atoms Relax 800 1451 50 - Back to Neutrality", UCRL-ID-110438, Lawrence Livermore 800 1451 51 - National Laboratory (1992). 800 1451 52 - 800 1451 53 - These are the primary references to the contents of this library 800 1451 54 - and they contain a complete list of references to the sources 800 1451 55 - of data used in this library, methods of evaluation, accuracy 800 1451 56 - of the data, etc. 800 1451 57 -================================================================== 800 1451 58 - History 800 1451 59 -================================================================== 800 1451 60 - (1) November, 1991 - Initial release in the ENDL format. 800 1451 61 - (2) November, 2001 - Initial release in the ENDF-6 format. 800 1451 62 -================================================================== 800 1451 63 - 1 451 65 0 800 1451 64 - 28 533 17 0 800 1451 65 - 800 1 0 66 - 800 0 0 67 - 8.000000+3 15.8619530 0 0 4 0 80028533 68 - 1.000000+0 0.000000+0 0 0 54 8 80028533 69 - 5.372800+2 2.000000+0 0.000000+0 0.000000+0 0.000000+0 0.000000+0 80028533 70 - 3.000000+0 0.000000+0 5.230900+2 1.907680-3 0.000000+0 0.000000+0 80028533 71 - 4.000000+0 0.000000+0 5.231300+2 3.800270-3 0.000000+0 0.000000+0 80028533 72 - 2.000000+0 2.000000+0 4.788200+2 1.786440-1 0.000000+0 0.000000+0 80028533 73 - 2.000000+0 3.000000+0 4.938600+2 1.162240-1 0.000000+0 0.000000+0 80028533 74 - 2.000000+0 4.000000+0 4.939000+2 2.304180-1 0.000000+0 0.000000+0 80028533 75 - 3.000000+0 3.000000+0 5.089000+2 1.108220-2 0.000000+0 0.000000+0 80028533 76 - 3.000000+0 4.000000+0 5.089400+2 2.911150-1 0.000000+0 0.000000+0 80028533 77 - 4.000000+0 4.000000+0 5.089800+2 1.668090-1 0.000000+0 0.000000+0 80028533 78 - 2.000000+0 0.000000+0 0 0 6 0 80028533 79 - 2.923000+1 2.000000+0 0.000000+0 0.000000+0 0.000000+0 0.000000+0 80028533 80 - 3.000000+0 0.000000+0 0 0 6 0 80028533 81 - 1.419000+1 1.330000+0 0.000000+0 0.000000+0 0.000000+0 0.000000+0 80028533 82 - 4.000000+0 0.000000+0 0 0 6 0 80028533 83 - 1.415000+1 2.670000+0 0.000000+0 0.000000+0 0.000000+0 0.000000+0 80028533 84 - 80028 0 85 - 800 0 0 86 - 0 0 0 87 - 0.000000+0 0.000000+0 0 0 0 0 -1 0 0 0 diff --git a/cream/test/test_atom_relax.py b/cream/test/test_atom_relax.py deleted file mode 100644 index 028e1bafe..000000000 --- a/cream/test/test_atom_relax.py +++ /dev/null @@ -1,101 +0,0 @@ -from cream.endf import ENDFTape -from cream.atom_relax import AtomRelax -from pytest import approx, raises - - -def test_reading_data(): - # Load ENDF Tape - tape = ENDFTape('./files/sample.endf') - atom = AtomRelax() - atom.from_endf(8, tape) - - # Load with ELement Symbol - atom = AtomRelax() - atom.from_endf('O', tape) - - # Try loading non-present data - atom = AtomRelax() - with raises(ValueError): - atom.from_endf('Re', tape) - - -def test_repr(): - # Load ENDF Tape - tape = ENDFTape('./files/sample.endf') - atom = AtomRelax() - atom.from_endf(8, tape) - repr(atom) - - -def test_checking_data(): - # Load ENDF Tape - tape = ENDFTape('./files/sample.endf') - atom = AtomRelax() - atom.from_endf(8, tape) - - # Basic check - atom.check() - - # Change charge and fail on wrong electron sum - atom._charge -= 1 - with raises(ValueError): - atom.check() - atom._charge += 1 - - # Verify sumation of probabilities to 1.0 by setting unreasonable tolerance - with raises(ValueError): - atom.check(tol=-1.0e-12) - - # Remove one shell and verify missing shells - atom._subshells[17] = atom._subshells.pop(3) - with raises(ValueError): - atom.check() - atom._subshells[3] = atom._subshells.pop(17) - - # Verify for missmatch between number of subshells in header and dictionary - atom._subshellNum -= 1 - with raises(ValueError): - atom.check() - atom._subshellNum += 1 - - -def test_print(): - # Load ENDF Tape - tape = ENDFTape('./files/sample.endf') - atom = AtomRelax() - atom.from_endf(8, tape) - Res1 = ('Element 8\n' - 'NSS 1\n' - 'SUBI 1\n' - 'SUBI 8\n' - 'EBI 5.372800E+02\n' - 'ELN 2\n' - ' 3 0 5.230900E+02 1.907680E-03\n' - ' 4 0 5.231300E+02 3.800270E-03\n' - ' 2 2 4.788200E+02 1.786440E-01\n' - ' 2 3 4.938600E+02 1.162240E-01\n' - ' 2 4 4.939000E+02 2.304180E-01\n' - ' 3 3 5.089000E+02 1.108220E-02\n' - ' 3 4 5.089400E+02 2.911150E-01\n' - ' 4 4 5.089800E+02 1.668090E-01\n') - Res2 = ('Element 8\n' - 'NSS 4\n' - ' 2 537.280000\n' - ' 2 29.230000\n' - ' 1 14.190000\n' - ' 3 14.150000\n') - assert Res1 == atom.print_trans() - assert Res2 == atom.print_ground() - - -def test_prune_energy(): - # Load ENDF Tape - tape = ENDFTape('./files/sample.endf') - atom = AtomRelax() - atom.from_endf(8, tape) - Res1 = ('Element 8\n' - 'NSS 0\n') - # Prune - atom.prune_energy(E_cut=5.4e+2) - atom.check() # See if data is still consistant - assert Res1 == atom.print_trans() diff --git a/cream/test/test_endf.py b/cream/test/test_endf.py deleted file mode 100644 index 32b8bfae8..000000000 --- a/cream/test/test_endf.py +++ /dev/null @@ -1,148 +0,0 @@ -import cream.endf as endf -from pytest import approx, raises - -def test_endf_float_conversions(): - - # Test ordinary float conversion - assert 1.4567 == endf.endf2float('1.4567') - assert 13.13 == endf.endf2float(' 1.313E+001') - - # ENDF-style float conversion - assert -10.0 == endf.endf2float('-1.000+1') - assert 1.23456E+38 == endf.endf2float(' +1.23456+38 ') - - # Test invalid cases - with raises(ValueError): - endf.endf2float('This is Not A Number') - - -def test_endf_int_conversions(): - # Test oridnary int conversions - assert 2 == endf.endf2int(' +2 ') - assert -3 == endf.endf2int('-3') - - # Test ENDF-style float conversion - assert 0 == endf.endf2int(' ') - - # Test invalid cases - with raises(ValueError): - endf.endf2int('') - with raises(ValueError): - endf.endf2int('This is not int') - - -def test_endfTape(): - """ TODO: Investigate separating into a number of tests using fixture. - Be carefull about the state of endfTape that can change - """ - # Load File - tape = endf.ENDFTape('./files/sample.endf') - - ############################################# - # Check content checking - assert tape.has(MAT=1122) - assert not tape.has(MAT=9238) - - assert tape.has(MAT=1122, MF=2) - assert not tape.has(MAT=600, MF=2) # MF is wrong - assert not tape.has(MAT=6001, MF=3) # MAT is wrong - - assert tape.has(MAT=600, MF=27, MT=505) - assert not tape.has(MAT=600, MF=27, MT=1) # Fail on MT - assert not tape.has(MAT=1122, MF=27, MT=51) # Fail on MF - assert not tape.has(MAT=601, MF=27, MT=505) # Fail on MAT - - # Check error - with raises(ValueError): - tape.has(MAT=600, MT=3) - - # Find by MAT - c16 = tape.get(MAT=600) - assert (600, 1, 451) in c16 - assert (600, 23, 535) in c16 - - # Find by MF - mf23 = tape.get(MF=28) - assert (800, 28, 533) in mf23 - assert (600, 27, 506) not in mf23 - - # Find by MT - mt2 = tape.get(MT=2) - assert (1122, 3, 2) in mt2 - - # Find non-existant - non = tape.get(MAT=-123, MF=3, MT=13) - assert non == [] - - ############################################# - # Test HEAD, CONT, TEXT & DIR records - # Read General Info Block - tape.set_to(1122, 1, 451) - data = tape.read_head() - assert (1.102200E+4, 2.180550E+1, 1, 0, 0, 0,) == data - data = tape.read_cont() - assert (0.0, 1.0, 0, 0, 0, 6) == data - data = tape.read_cont() - assert (1, 2.0E+7, 1, 0, 10, 7) == data - tape.read_cont() - - data = tape.read_text() - ref = " 11-Na- 22 NEA RCOM-JUN83 Scientific Co-ordination Group " - assert ref == data - assert not tape.read_send() - assert not tape.read_fend() - assert not tape.read_mend() - - # Skip to DIR Record - for _ in range(80): - tape.read_text() - data = tape.read_dir() - assert (3, 22, 7, 0) == data - - ############################################# - # Test HEAD and LIST records - # Read Relaxation - tape.set_to(800, 28, 533) - data = tape.read_head() - assert (8.0E+3, 15.8619530, 0, 0, 4, 0) == data - data = tape.read_list() - assert (1.0, 0.0, 0, 0, 54, 8) == data[0:6] - assert [5.3728E+2, 2.0] == data[6][0:2] # 1st Line Results - assert [1.668090E-1, 0.0, 0.0] == data[6][51:54] - - ############################################# - # TEST TAB2 - # Read Na-22 Elastic Scattering mu-distribution header - tape.set_to(1122, 4, 2) - data = tape.read_head() - assert (1.102200E+4, 2.180550E+1, 0, 1, 0, 0) == data - data = tape.read_cont() - assert (0.0, 2.18055E+1, 0, 2, 0, 0) == data - data = tape.read_tab2() - assert (0.0, 0.0, 0, 0, 1, 57) == data[0:6] - assert [57] == data[6] # NBT - assert [2] == data[7] # INT - - ############################################# - # TEST TAB1 - # Read Photointeraction Data. Pair Production XS - tape.set_to(600, 23, 516) - data = tape.read_head() - assert (6000.0, 1.190780E+1, 0, 0, 0, 0) == data - data = tape.read_tab1() - assert (0.0, 0.0, 0, 0, 2, 126) == data[0:6] - assert [2, 126] == data[6] - assert [2, 5] == data[7] - assert 1.022E+6 == data[8][0] - assert 0.0 == data[9][0] - assert 1.0E+11 == data[8][125] - assert 3.5893E-1 == data[9][125] - - ############################################# - # Test Setting to invalid location - with raises(ValueError): - tape.set_to(601, 23, 516) - - ############################################# - # Test misc - repr(tape) diff --git a/cream/tests/dummy_test.py b/cream/tests/dummy_test.py new file mode 100644 index 000000000..0c4bd9c62 --- /dev/null +++ b/cream/tests/dummy_test.py @@ -0,0 +1,2 @@ +def test_dummy(): + assert 1 == 1