Add gnd_name function

docs/source/pythonapi/data.rst

@@ -32,6 +32,7 @@ Core Functions
     :template: myfunction.rst
 
     openmc.data.atomic_mass
+    openmc.data.gnd_name
     openmc.data.linearize
     openmc.data.thin
     openmc.data.water_density

openmc/data/data.py

@@ -313,13 +313,37 @@ def water_density(temperature, pressure=0.1013):
     return coeff / pi / gamma1_pi
 
 
+def gnd_name(Z, A, m=0):
+    """Return nuclide name using GND convention
+
+    Parameters
+    ----------
+    Z : int
+        Atomic number
+    A : int
+        Mass number
+    m : int, optional
+        Metastable state
+
+    Returns
+    -------
+    str
+        Nuclide name in GND convention, e.g., 'Am242_m1'
+
+    """
+    if m > 0:
+        return '{}{}_m{}'.format(ATOMIC_SYMBOL[Z], A, m)
+    else:
+        return '{}{}'.format(ATOMIC_SYMBOL[Z], A)
+
+
 def zam(name):
     """Return tuple of (atomic number, mass number, metastable state)
 
     Parameters
     ----------
     name : str
-        Name of nuclide using GND convention, e.g., 'Am242m1'
+        Name of nuclide using GND convention, e.g., 'Am242_m1'
 
     Returns
     -------

openmc/data/endf.py

@@ -17,7 +17,7 @@ from collections.abc import Iterable
 import numpy as np
 from numpy.polynomial.polynomial import Polynomial
 
-from .data import ATOMIC_SYMBOL
+from .data import ATOMIC_SYMBOL, gnd_name
 from .function import Tabulated1D, INTERPOLATION_SCHEME
 from openmc.stats.univariate import Uniform, Tabular, Legendre
 
@@ -249,6 +249,7 @@ def get_tab2_record(file_obj):
 
     return params, Tabulated2D(breakpoints, interpolation)
 
+
 def get_evaluations(filename):
     """Return a list of all evaluations within an ENDF file.
 
@@ -424,13 +425,9 @@ class Evaluation(object):
 
     @property
     def gnd_name(self):
-        symbol = ATOMIC_SYMBOL[self.target['atomic_number']]
-        A = self.target['mass_number']
-        m = self.target['isomeric_state']
-        if m > 0:
-            return '{}{}_m{}'.format(symbol, A, m)
-        else:
-            return '{}{}'.format(symbol, A)
+        return gnd_name(self.target['atomic_number'],
+                        self.target['mass_number'],
+                        self.target['isomeric_state'])
 
 
 class Tabulated2D(object):

openmc/material.py

@@ -24,7 +24,7 @@ class Material(IDManagerMixin):
     To create a material, one should create an instance of this class, add
     nuclides or elements with :meth:`Material.add_nuclide` or
     `Material.add_element`, respectively, and set the total material density
-    with `Material.export_to_xml()`. The material can then be assigned to a cell
+    with `Material.set_density()`. The material can then be assigned to a cell
     using the :attr:`Cell.fill` attribute.
 
     Parameters

tests/unit_tests/test_data_misc.py

@@ -60,6 +60,14 @@ def test_water_density():
     assert dens(500.0, 3.0) == pytest.approx(1e-3/0.120241800e-2, 1e-6)
 
 
+def test_gnd_name():
+    assert openmc.data.gnd_name(1, 1) == 'H1'
+    assert openmc.data.gnd_name(40, 90) == ('Zr90')
+    assert openmc.data.gnd_name(95, 242, 0) == ('Am242')
+    assert openmc.data.gnd_name(95, 242, 1) == ('Am242_m1')
+    assert openmc.data.gnd_name(95, 242, 10) == ('Am242_m10')
+
+
 def test_zam():
     assert openmc.data.zam('H1') == (1, 1, 0)
     assert openmc.data.zam('Zr90') == (40, 90, 0)