Merge branch 'develop' of github.com:fusion-energy/neutronics_materia…

…l_maker into develop

neutronics_material_maker/material.py

@@ -3,6 +3,7 @@
 __author__ = "neutronics material maker development team"
 
 
+import difflib
 import json
 import os
 import re
@@ -26,9 +27,10 @@
     import openmc
 except ImportError:
     OPENMC_AVAILABLE = False
-    warnings.warn(
-        "OpenMC python package not found, .openmc_material, .serpent_material, \
-            .mcnp_material, .fispact_material methods not avaiable")
+    msg = ("OpenMC python package not found, .openmc_material, "
+           ".serpent_material, .mcnp_material, .fispact_material methods not "
+           "avaiable")
+    warnings.warn(msg)
 
 atomic_mass_unit_in_g = 1.660539040e-24
 
@@ -487,7 +489,8 @@ def density(self, value):
             self._density = value
         elif isinstance(value, (int, float)):
             if value < 0:
-                raise ValueError("Material.density should be above 0", value)
+                raise ValueError(
+                    f"Material.density should be above 0. Not {value}")
             self._density = float(value)
 
     @property
@@ -522,11 +525,10 @@ def enrichment_target(self):
     def enrichment_target(self, value):
         if value is not None:
             if value not in NATURAL_ABUNDANCE.keys():
-                raise ValueError(
+                msg = (
                     "Material.enrichment_target must be a naturally occuring "
-                    "isotope from this list",
-                    NATURAL_ABUNDANCE.keys(),
-                )
+                    f"isotope from this list {NATURAL_ABUNDANCE.keys()}")
+                raise ValueError(msg)
         self._enrichment_target = value
 
     @property
@@ -543,8 +545,7 @@ def pressure(self):
     def pressure(self, value):
         if value is not None:
             if value < 0.0:
-                raise ValueError(
-                    "Material.pressure must be greater than 0")
+                raise ValueError("Material.pressure must be greater than 0")
         self._pressure = value
 
     @property
@@ -799,14 +800,10 @@ def _add_density(self, openmc_material):
 
             self.density = mass / self.volume_of_unit_cell_cm3
         else:
-
-            raise ValueError(
-                "density can't be set for "
-                + str(self.name) +
-                " provide either a density value as a number or density "
-                "as a string, or atoms_per_unit_cell and "
-                "volume_of_unit_cell_cm3"
-            )
+            msg = ("density can't be set for {self.name} provide either a "
+                   "density value as a number or density as a string, or "
+                   "atoms_per_unit_cell and volume_of_unit_cell_cm3")
+            raise ValueError(msg)
 
         openmc_material.set_density(
             self.density_unit, self.density * self.packing_fraction
@@ -862,10 +859,12 @@ def from_library(
         # TODO allow discreat libraries to be searched library: List('str')
 
         if name not in material_dict.keys():
-
-            raise ValueError(
-                'name of ', name, 'not found in the internal library'
-            )
+            closest_match = difflib.get_close_matches(
+                name, material_dict.keys())
+            msg = f'name of {name} was not found in the internal library.'
+            if len(closest_match) > 0:
+                msg = msg + f' Did you mean {closest_match}?'
+            raise ValueError(msg)
 
         entry = material_dict[name].copy()
 
@@ -892,13 +891,9 @@ def from_mixture(
         additional_end_lines: Optional[Dict[str, List[str]]] = None,
     ):
         if sum(fracs) != 1.0:
-            warnings.warn(
-                "warning sum of MutliMaterials.fracs do not sum to 1."
-                + str(fracs)
-                + " = "
-                + str(sum(fracs)),
-                UserWarning,
-            )
+            msg = ("warning sum of MutliMaterials.fracs do not sum to 1."
+                   f"{fracs} = {sum(fracs)}")
+            warnings.warn(msg, UserWarning)
 
         openmc_material_objects = []
         for material in materials:
@@ -907,10 +902,9 @@ def from_mixture(
             elif isinstance(material, Material):
                 openmc_material_objects.append(material.openmc_material)
             else:
-                raise ValueError(
-                    "only openmc.Material or neutronics_material_maker. \
-                    Materials are accepted. Not", type(material),
-                )
+                msg = ("only openmc.Material or neutronics_material_maker."
+                       f"Materials are accepted. Not {type(material)}")
+                raise ValueError(msg)
 
         openmc_material = openmc.Material.mix_materials(
             materials=openmc_material_objects,

neutronics_material_maker/utils.py

@@ -152,21 +152,20 @@ def check_add_additional_end_lines(value):
                 'Material.additional_end_lines should be a dictionary')
         for key, entries in value.items():
             if key not in string_codes:
-                raise ValueError(
-                    'Material.additional_end_lines should be a '
-                    'dictionary where the keys are the name of the neutronics'
-                    'code. Acceptable values are {}'.format(string_codes))
+                msg = (f'Material.additional_end_lines should be a dictionary '
+                       'where the keys are the name of the neutronics '
+                       'code. Acceptable values are {string_codes}')
+                raise ValueError(msg)
             if not isinstance(entries, list):
                 raise ValueError(
-                    'Material.additional_end_lines should be a'
-                    ' dictionary where the value of each dictionary entry is a'
-                    ' list')
+                    'Material.additional_end_lines should be a dictionary '
+                    'where the value of each dictionary entry is a list')
             for entry in entries:
                 if not isinstance(entry, str):
                     raise ValueError(
-                        'Material.additional_end_lines should be'
-                        'a dictionary where the value of each dictionary entry'
-                        ' is a list of strings')
+                        'Material.additional_end_lines should be a dictionary '
+                        'where the value of each dictionary entry is a list '
+                        'of strings')
     return value
 
 
@@ -193,9 +192,8 @@ def make_fispact_material(mat) -> str:
     """
 
     if mat.volume_in_cm3 is None:
-        raise ValueError(
-            "Material.volume_in_cm3 needs setting before fispact_material can be made"
-        )
+        msg = "Material.volume_in_cm3 needs setting before fispact_material can be made"
+        raise ValueError(msg)
 
     mat_card = [
         "DENSITY " + str(mat.openmc_material.get_mass_density()),
@@ -227,11 +225,10 @@ def make_serpent_material(mat) -> str:
     else:
         name = mat.name
 
-    mat_card = ["mat " + name + " " +
-                str(mat.openmc_material.get_mass_density())]
+    mat_card = [f"mat {name} {mat.openmc_material.get_mass_density()}"]
     if mat.temperature_to_neutronics_code is True:
         if mat.temperature is not None:
-            mat_card[0] = mat_card[0] + ' tmp ' + str(mat.temperature)
+            mat_card[0] = mat_card[0] + f' tmp {mat.temperature}'
         # should check if percent type is 'ao' or 'wo'
 
     for isotope in mat.openmc_material.nuclides:
@@ -361,14 +358,14 @@ def AddMaterialFromDir(directory: str, verbose: bool = True, recursive=True):
         filelist = Path(directory).glob("*.json")
     for filename in filelist:
         if verbose is True:
-            print('loading', filename)
+            print(f'loading {filename}')
         AddMaterialFromFile(filename, verbose)
 
 
 def AddMaterialFromFile(filename: str, verbose: Optional[bool] = True) -> None:
     """Add materials to the internal library from a json file"""
     if verbose:
-        print("Added materials to library from", filename)
+        print(f"Added materials to library from {filename}")
     with open(filename, "r") as f:
         new_data = json.load(f)
         if verbose: