Merge pull request #34 from openmc-data-storage/develop

Development improvements

Author: shimwell

README.md

@@ -101,6 +101,16 @@ openmc_data_downloader -l ENDFB-7.1-NNDC -i Be9 -d my_h5_files
 ```bash
 openmc_data_downloader -l TENDL-2019 -e Li Si Na -i Fe56 U235
 ```
+### Downloading all the isotopes from the TENDL 2019 nuclear library
+
+```bash
+openmc_data_downloader -l TENDL-2019 -i all
+```
+### Downloading all the stable isotopes from the TENDL 2019 nuclear library
+
+```bash
+openmc_data_downloader -l TENDL-2019 -i stable
+```
 
 ### Downloading all the isotopes in a materials.xml file from the TENDL 2019 nuclear library
 

openmc_data_downloader/__init__.py

@@ -18,7 +18,8 @@
     LIB_OPTIONS,
     PARTICLE_OPTIONS,
     SAB_OPTIONS,
-    ISOTOPE_OPTIONS,
+    STABLE_ISOTOPE_OPTIONS,
+    ALL_ISOTOPE_OPTIONS,
     xs_info,
     sab_info,
 )

openmc_data_downloader/cross_sections_directory.py

@@ -128,6 +128,15 @@
     "Tc": [],  # no stable isotopes
 }
 
+
+def zaid_to_isotope(zaid: str) -> str:
+    """converts an isotope into a zaid e.g. 003006 -> Li6"""
+    a = str(zaid)[-3:]
+    z = str(zaid)[:-3]
+    symbol = ATOMIC_SYMBOL[int(z)]
+    return symbol + str(int(a))
+
+
 tendl_2019_neutron_isotopes = [
     "Ac225",
     "Ac226",
@@ -2200,14 +2209,6 @@
 }
 
 
-def zaid_to_isotope(zaid: str) -> str:
-    """converts an isotope into a zaid e.g. 003006 -> Li6"""
-    a = str(zaid)[-3:]
-    z = str(zaid)[:-3]
-    symbol = ATOMIC_SYMBOL[int(z)]
-    return symbol + str(int(a))
-
-
 endf_71_wmp_base_url = (
     "https://github.com/openmc-data-storage/ENDF-B-VII.1-WMP/raw/master/WMP_Library/"
 )
@@ -2290,4 +2291,9 @@ def zaid_to_isotope(zaid: str) -> str:
     "c_Zr_in_ZrH",
 ]
 nested_list = list(NATURAL_ABUNDANCE.values())
-ISOTOPE_OPTIONS = [item for sublist in nested_list for item in sublist]
+STABLE_ISOTOPE_OPTIONS = [item for sublist in nested_list for item in sublist]
+ALL_ISOTOPE_OPTIONS = (
+    tendl_2019_neutron_isotopes
+    + fendl_31d_neutron_isotopes
+    + endfb_71_nndc_neutron_isotopes
+)

openmc_data_downloader/openmc_data_downloader

@@ -31,7 +31,7 @@ if __name__ == '__main__':
         '-i', '--isotopes',
         nargs='*',
         default=[],
-        help="The isotope or isotopes to download"
+        help="The isotope or isotopes to download, name of isotope e.g. 'Al27' or keyword 'all' or 'stable'"
     )
     parser.add_argument(
         '-s',
@@ -44,7 +44,7 @@ if __name__ == '__main__':
     parser.add_argument(
         '-e', '--elements', nargs='*',
         default=[],
-        help="The element or elements to download"
+        help="The element or elements to download, name of element e.g. 'Al' or keyword 'all' or 'stable'"
     )
     parser.add_argument(
         '-p', '--particles', nargs='*',

openmc_data_downloader/utils.py

@@ -10,7 +10,8 @@
 from retry import retry
 
 from openmc_data_downloader import (
-    ISOTOPE_OPTIONS,
+    ALL_ISOTOPE_OPTIONS,
+    STABLE_ISOTOPE_OPTIONS,
     LIB_OPTIONS,
     NATURAL_ABUNDANCE,
     PARTICLE_OPTIONS,
@@ -383,7 +384,9 @@ def identify_isotopes_to_download(
     if isotopes == []:
         return pd.DataFrame()
     elif isotopes == "all" or isotopes == ["all"]:
-        isotopes = ISOTOPE_OPTIONS
+        isotopes = ALL_ISOTOPE_OPTIONS
+    elif isotopes == "stable" or isotopes == ["stable"]:
+        isotopes = STABLE_ISOTOPE_OPTIONS
 
     print("isotopes", isotopes)
 
@@ -454,8 +457,11 @@ def identify_isotopes_to_download(
 
 def expand_elements_to_isotopes(elements: Union[str, List[str]]):
 
+    if elements == "stable" or elements == ["stable"]:
+        return STABLE_ISOTOPE_OPTIONS
+
     if elements == "all" or elements == ["all"]:
-        return ISOTOPE_OPTIONS
+        return ALL_ISOTOPE_OPTIONS
 
     if isinstance(elements, str):
         return NATURAL_ABUNDANCE[elements]