Mat redesign

.github/scripts/check_version.py

@@ -0,0 +1,24 @@
+#!/usr/bin/env python
+
+import argparse
+import re
+import sys
+from setuptools_scm import get_version
+
+parser = argparse.ArgumentParser()
+parser.add_argument("-a", "--alpha", action="store_true")
+DEPLOY_VERSION = r"\d+\.\d+\.\d+"
+ALPHA_VERSION = DEPLOY_VERSION + r"a\d+"
+args = parser.parse_args()
+if args.alpha:
+    print("checking alpha release")
+    parser = ALPHA_VERSION
+else:
+    print("checking Final release.")
+    parser = DEPLOY_VERSION
+
+version = get_version()
+print(f"version = {version}")
+if not re.fullmatch(parser, version):
+    exit(1)
+exit(0)

.github/workflows/deploy-alpha.yml

@@ -0,0 +1,107 @@
+name: Deploy
+
+on: 
+  push:
+    branches: [alpha-test]
+
+
+jobs:
+  last-minute-test:
+    runs-on: ubuntu-latest    
+    steps:
+      - uses: actions/checkout@v4
+      - name: set up python  3.12
+        uses: actions/setup-python@v5
+        with: 
+          python-version: 3.12
+      - run: pip install . montepy[develop]
+      - run: python -m pytest
+
+  build-packages:
+    name: Build, sign, and release packages on github
+    runs-on: ubuntu-latest
+    needs: [last-minute-test]
+    permissions:
+      contents: write  # IMPORTANT: mandatory for making GitHub Releases
+      id-token: write  # IMPORTANT: mandatory for sigstore
+    env:
+      GH_TOKEN: ${{ github.token }}
+    steps:
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+          fetch-tags: true
+      - name: set up python  3.12
+        uses: actions/setup-python@v5
+        with: 
+          python-version: 3.12
+      - run: pip install . montepy[build]
+      - name: Get Version
+        id: get_version
+        run: echo "version=`python -m setuptools_scm`" >> $GITHUB_OUTPUT
+      - name: Verify that this is a non-dev alpha release
+        run: .github/scripts/check_version.py --alpha 
+      - run: python -m build .
+      - name: Sign the dists with Sigstore
+        uses: sigstore/[email protected]
+        with:
+          inputs: >-
+            ./dist/*.tar.gz
+            ./dist/*.whl
+      - name: Create a GitHub release
+        uses: ncipollo/release-action@v1
+        with:
+          tag: v${{ steps.get_version.outputs.version }}
+          name: Release ${{ steps.get_version.outputs.version }}
+          draft: true
+      - run: >-
+          gh release upload
+          'v${{ steps.get_version.outputs.version }}' dist/**
+          --repo '${{ github.repository }}'
+      - uses: actions/upload-artifact@v4
+        with: 
+           name: build
+           path: |
+               dist/*.tar.gz 
+               dist/*.whl
+
+
+  deploy-test-pypi: 
+    environment:
+      name: test-pypi
+      url: https://test.pypi.org/p/montepy  # Replace <package-name> with your PyPI project name
+    needs: [build-packages]
+    permissions:
+      contents: read
+      id-token: write
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/download-artifact@v4
+        with:
+          name: build
+          path: dist/
+      - name: Publish distribution 📦 to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          repository-url: https://test.pypi.org/legacy/
+
+  deploy-pypi: 
+    environment:
+      name: pypi
+      url: https://pypi.org/p/montepy  # Replace <package-name> with your PyPI project name
+    needs: [deploy-pages, deploy-test-pypi, build-packages]
+    permissions:
+      contents: read
+      id-token: write
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/download-artifact@v4
+        with:
+          name: build
+          path: dist/
+      - name: Publish distribution 📦 to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+
+
+
+

.github/workflows/deploy.yml

@@ -62,7 +62,7 @@ jobs:
         id: get_version
         run: echo "version=`python -m setuptools_scm`" >> $GITHUB_OUTPUT
       - name: Verify that this is a non-dev release
-        run: .github/scripts/check_version.sh ${{ steps.get_version.outputs.version }}
+        run: .github/scripts/check_version.py
       - run: python -m build .
       - name: Sign the dists with Sigstore
         uses: sigstore/[email protected]

.gitignore

@@ -17,3 +17,8 @@ doc/build/*
 .idea/
 .ipynb_checkpoints/
 montepy/_version.py
+
+# various testing results
+htmlcov
+.hypothesis
+.mutmut-cache

benchmark/benchmark_big_model.py

@@ -17,7 +17,9 @@
 print(f"Memory usage report: {tracemalloc.get_traced_memory()[0]/1024/1024} MB")
 del problem
 gc.collect()
-print(f"Memory usage report after GC: {tracemalloc.get_traced_memory()[0]/1024/1024} MB")
+print(
+    f"Memory usage report after GC: {tracemalloc.get_traced_memory()[0]/1024/1024} MB"
+)
 
 if (stop - start) > FAIL_THRESHOLD:
     raise RuntimeError(

doc/source/changelog.rst

@@ -2,6 +2,40 @@
 MontePy Changelog
 *****************
 
+1.0.0 releases
+==============
+
+#Next Version#
+--------------
+* Redesigned how Materials hold Material_Components. See :ref:`migrate 0 1` (:pull:`507`). 
+
+**Breaking Changes**
+
+* Removed ``Material.material_components``. See :ref:`migrate 0 1` (:pull:`507`).
+
+**Deprecated code Removed**
+
+* ``montepy.Cell.geometry_logic_string``
+* ``montepy.data_inputs.cell_modifier.CellModifier.has_changed_print_style``
+* ``montepy.data_inputs.data_input.DataInputAbstract``
+
+  * ``class_prefix``
+  * ``has_number``
+  * ``has_classifier``
+
+* ``montepy.input_parser.mcnp_input.Card``
+* ``montepy.input_parser.mcnp_input.ReadCard``
+* ``montepy.input_parser.mcnp_input.Input.words``
+* ``montepy.input_parser.mcnp_input.Comment``
+* ``montepy.input_parser.mcnp_input.parse_card_shortcuts``
+* ``montepy.mcnp_object.MCNP_Object``
+
+  * ``wrap_words_for_mcnp``
+  * ``compress_repeat_values``
+  * ``compress_jump_values``
+  * ``words``
+  * ``allowed_keywords``
+
 0.5 releases
 ============
 
@@ -32,7 +66,7 @@ MontePy Changelog
 ============
 
 0.4.1
---------------
+----------------
 
 **Features Added**
 

doc/source/index.rst

@@ -33,6 +33,7 @@ See Also
 
 * `MontePy github Repository <https://github.com/idaholab/montepy>`_
 * `MontePy PyPI Project <https://pypi.org/project/montepy/>`_
+* `MCNP 6.3.1 User Manual <https://www.osti.gov/biblio/2372634>`_ DOI: `10.2172/2372634<https://doi.org/10.2172/2372634>`_
 * `MCNP 6.3 User Manual <https://www.osti.gov/biblio/1889957>`_ DOI: `10.2172/1889957 <https://doi.org/10.2172/1889957>`_
 * `MCNP 6.2 User Manual <https://mcnp.lanl.gov/pdf_files/TechReport_2017_LANL_LA-UR-17-29981_WernerArmstrongEtAl.pdf>`_
 * `MCNP Forum <https://mcnp.discourse.group/>`_

montepy/__init__.py

@@ -10,17 +10,29 @@
 from . import input_parser
 from . import constants
 import importlib.metadata
-from .input_parser.input_reader import read_input
-from montepy.cell import Cell
-from montepy.mcnp_problem import MCNP_Problem
+
+# data input promotion
+
 from montepy.data_inputs.material import Material
 from montepy.data_inputs.transform import Transform
+from montepy.data_inputs.nuclide import Nuclide
+from montepy.data_inputs.element import Element
+
+# geometry
 from montepy.geometry_operators import Operator
 from montepy import geometry_operators
-from montepy.input_parser.mcnp_input import Jump
-from montepy.particle import Particle
 from montepy.surfaces.surface_type import SurfaceType
+
+# input parser
+from montepy.input_parser.mcnp_input import Jump
+from .input_parser.input_reader import read_input
+
+# top level
+from montepy.particle import Particle, LibraryType
 from montepy.universe import Universe
+from montepy.cell import Cell
+from montepy.mcnp_problem import MCNP_Problem
+
 import montepy.errors
 import sys
 

montepy/_singleton.py

@@ -0,0 +1,19 @@
+import collections
+
+
+class SingletonGroup(type):
+    """
+    Pass
+    """
+
+    _instances = collections.defaultdict(dict)
+
+    def __call__(cls, *args, **kwargs):
+        kwargs_t = tuple([(k, v) for k, v in kwargs.items()])
+        try:
+            return cls._instances[cls][args + kwargs_t]
+        except KeyError:
+            cls._instances[cls][args + kwargs_t] = super(SingletonGroup, cls).__call__(
+                *args, **kwargs
+            )
+            return cls._instances[cls][args + kwargs_t]

montepy/cell.py

@@ -362,21 +362,6 @@ def geometry(self):
         """
         pass
 
-    @property
-    def geometry_logic_string(self):  # pragma: no cover
-        """
-        The original geoemtry input string for the cell.
-
-        .. warning::
-            .. deprecated:: 0.2.0
-                This was removed to allow for :func:`geometry` to truly implement CSG geometry.
-
-        :raise DeprecationWarning: Will always be raised as an error (which will cause program to halt).
-        """
-        raise DeprecationWarning(
-            "Geometry_logic_string has been removed from cell. Use Cell.geometry instead."
-        )
-
     @make_prop_val_node(
         "_density_node", (float, int, type(None)), base_type=float, deletable=True
     )

montepy/constants.py

@@ -25,12 +25,25 @@
 Number of spaces in a new line before it's considered a continuation.
 """
 
-LINE_LENGTH = {(5, 1, 60): 80, (6, 1, 0): 80, (6, 2, 0): 128}
+LINE_LENGTH = {
+    (5, 1, 60): 80,
+    (6, 1, 0): 80,
+    (6, 2, 0): 128,
+    (6, 3, 0): 128,
+    (6, 3, 1): 128,
+}
 """
 The number of characters allowed in a line for each MCNP version.
+
+Citations:
+
+* 5.1.60 and 6.1.0: Section 2.6.2 of LA-UR-18-20808
+* 6.2.0: Section 1.1.1 of LA-UR-17-29981
+* 6.3.0: Section 3.2.2 of LA-UR-22-30006
+* 6.3.1: Section 3.2.2 of LA-UR-24-24602
 """
 
-DEFAULT_VERSION = (6, 2, 0)
+DEFAULT_VERSION = (6, 3, 0)
 """
 The default version of MCNP to use.
 """
@@ -47,6 +60,11 @@
 Source: `Wikipedia <https://en.wikipedia.org/wiki/ASCII>`_
 """
 
+MAX_ATOMIC_SYMBOL_LENGTH = 2
+"""
+The maximum length of an atomic symbol.
+"""
+
 
 def get_max_line_length(mcnp_version=DEFAULT_VERSION):
     """

montepy/data_inputs/cell_modifier.py

@@ -266,40 +266,3 @@ def format_for_mcnp_input(self, mcnp_version, has_following=False):
             self._update_values()
             return self.wrap_string_for_mcnp(self._format_tree(), mcnp_version, True)
         return []
-
-    @property
-    def has_changed_print_style(self):  # pragma: no cover
-        """
-        returns true if the printing style for this modifier has changed
-        from cell block to data block, or vice versa.
-
-        .. deprecated:: 0.2.0
-            This property is no longer needed and overly complex.
-
-        :returns: true if the printing style for this modifier has changed
-        :rtype: bool
-        :raises DeprecationWarning: raised always.
-        """
-        warnings.warn(
-            "has_changed_print_style will be removed soon.",
-            DeprecationWarning,
-            stacklevel=2,
-        )
-        if self._problem:
-            print_in_cell_block = not self._problem.print_in_data_block[
-                self.class_prefix
-            ]
-            set_in_cell_block = print_in_cell_block
-            if not self.in_cell_block:
-                for cell in self._problem.cells:
-                    attr = montepy.Cell._CARDS_TO_PROPERTY[type(self)][0]
-                    modifier = getattr(cell, attr)
-                    if modifier.has_information:
-                        set_in_cell_block = modifier.set_in_cell_block
-                    break
-            else:
-                if self.has_information:
-                    set_in_cell_block = self.set_in_cell_block
-            return print_in_cell_block ^ set_in_cell_block
-        else:
-            return False