Merge pull request #518 from idaholab/mat_optimize

Optimize Material Update Pointers

.github/workflows/main.yml

@@ -160,6 +160,7 @@ jobs:
  - run: python benchmark/benchmark_big_model.py 
  name: Benchmark against big model
 
+
  changelog-test:
  runs-on: ubuntu-latest
  if: github.ref != 'refs/heads/main'

benchmark/benchmark_big_model.py

@@ -3,7 +3,7 @@
 import time
 import tracemalloc
 
-FAIL_THRESHOLD = 500
+FAIL_THRESHOLD = 30
 
 tracemalloc.start()
 start = time.time()

doc/source/changelog.rst

@@ -1,6 +1,13 @@
 MontePy Changelog
 =================
 
+#Next Version#
+--------------
+
+**Performance Improvement**
+
+* Fixed method of linking ``Material`` to ``ThermalScattering`` objects, avoiding a very expensive O(N:sup:`2`) (:issue:`510`).
+
 0.4.0
 --------------
 

montepy/data_inputs/data_input.py

@@ -179,6 +179,8 @@ def update_pointers(self, data_inputs):
 
  :param data_inputs: a list of the data inputs in the problem
  :type data_inputs: list
+ :returns: True iff this input should be removed from ``problem.data_inputs``
+ :rtype: bool, None
  """
  pass
 

montepy/data_inputs/material.py

@@ -177,18 +177,7 @@ def update_pointers(self, data_inputs):
  :param data_inputs: a list of the data inputs in the problem
  :type data_inputs: list
  """
- for input in list(data_inputs):
- if isinstance(input, thermal_scattering.ThermalScatteringLaw):
- if input.old_number == self.number:
- if not self._thermal_scattering:
- self._thermal_scattering = input
- input._parent_material = self
- data_inputs.remove(input)
- else:
- raise MalformedInputError(
- self,
- f"Multiple MT inputs were specified for this material: {self.number}.",
- )
+ pass
 
  @staticmethod
  def _class_prefix():

montepy/data_inputs/thermal_scattering.py

@@ -122,19 +122,40 @@ def update_pointers(self, data_inputs):
 
  :param data_inputs: a list of the data inputs in the problem
  :type data_inputs: list
+ :returns: True iff this input should be removed from ``problem.data_inputs``
+ :rtype: bool
  """
+ # use caching first
+ if self._problem:
+ try:
+ mat = self._problem.materials[self.old_number]
+ except KeyError:
+ raise MalformedInputError(
+ self._input, "MT input is detached from a parent material"
+ )
+ # brute force it
  found = False
- for input in data_inputs:
- if isinstance(input, montepy.data_inputs.material.Material):
- if input.number == self.old_number:
+ for data_input in data_inputs:
+ if isinstance(data_input, montepy.data_inputs.material.Material):
+ if data_input.number == self.old_number:
+ mat = data_input
  found = True
- self._parent_material = input
-
+ break
+ # actually update things
  if not found:
  raise MalformedInputError(
  self._input, "MT input is detached from a parent material"
  )
 
+ if mat.thermal_scattering:
+ raise MalformedInputError(
+ self,
+ f"Multiple MT inputs were specified for this material: {self.old_number}.",
+ )
+ mat.thermal_scattering = self
+ self._parent_material = mat
+ return True
+
  def __str__(self):
  return f"THERMAL SCATTER: {self.thermal_scattering_laws}"
 

montepy/mcnp_problem.py

@@ -332,9 +332,11 @@ def handle_error(e):
  ParticleTypeNotInCell,
  ) as e:
  handle_error(e)
- for input in self._data_inputs:
+ to_delete = []
+ for data_index, data_input in enumerate(self._data_inputs):
  try:
- input.update_pointers(self._data_inputs)
+ if data_input.update_pointers(self._data_inputs):
+ to_delete.append(data_index)
  except (
  BrokenObjectLinkError,
  MalformedInputError,
@@ -343,6 +345,8 @@ def handle_error(e):
  ) as e:
  handle_error(e)
  continue
+ for delete_index in to_delete[::-1]:
+ del self._data_inputs[delete_index]
 
  def remove_duplicate_surfaces(self, tolerance):
  """Finds duplicate surfaces in the problem, and remove them.

prof/dump_results.py

@@ -2,5 +2,5 @@
 from pstats import SortKey
 
 stats = pstats.Stats("prof/combined.prof")
-stats.sort_stats(SortKey.CUMULATIVE, SortKey.TIME).print_stats(300, "montepy")
-stats.sort_stats(SortKey.CUMULATIVE, SortKey.TIME).print_stats(100, "sly")
+stats.sort_stats(SortKey.CUMULATIVE, SortKey.TIME).print_stats("montepy", 50)
+stats.sort_stats(SortKey.CUMULATIVE, SortKey.TIME).print_stats("sly", 20)

prof/profile_big_model.py

@@ -10,6 +10,6 @@
 
 stats = pstats.Stats("prof/big.prof")
 stats.sort_stats(pstats.SortKey.CUMULATIVE, pstats.SortKey.TIME).print_stats(
- 100, "montepy"
+ "montepy", 70
 )
-stats.sort_stats(pstats.SortKey.CUMULATIVE, pstats.SortKey.TIME).print_stats(100, "sly")
+stats.sort_stats(pstats.SortKey.CUMULATIVE, pstats.SortKey.TIME).print_stats("sly", 20)

tests/test_material.py

@@ -340,7 +340,8 @@ def test_thermal_scattering_format_mcnp(self):
  in_str = "M20 1001.80c 0.5 8016.80c 0.5"
  input_card = Input([in_str], BlockType.DATA)
  material = Material(input_card)
- material.update_pointers([card])
+ material.thermal_scattering = card
+ card._parent_material = material
  material.thermal_scattering.thermal_scattering_laws = ["grph.20t"]
  self.assertEqual(card.format_for_mcnp_input((6, 2, 0)), ["Mt20 grph.20t "])