Deploy 1.0.0

[MicahGale]

Changes

This release primarily focuses on redesigning the material interface. For details see the migration guide. Also the updated getting started guide shows how to use a lot of these new features.

Materials

The biggest change is that Material is no longer a wrapper of dictionary; it now behaves like a list.

This will make it a lot easier to do the following with materials:

• Query, edit, and add nuclides to a specific material
• Change what the default library, e.g., nlib=80c for a specific material
• Find all materials that contain certain nuclides
• Create a new nuclide intuitively: e.g., montepy.Nuclide("U-235m1.80c")
• Materials are now iterable themselves.

General

This will also make it a lot easier to work with MontePy objects in general by:

• If a typo in made in an attribute an error raised. This prevents cell.nuber = 5 from having no effect.
• Create new objects with their just their string version of the MCNP input. You can create a new cell with montepy.Cell("1 0 -2 imp:n=1"). In a lot of cases it's a better idea to do: problem.parse("1 0 -2 imp:n=1").

Features Added

Material Interface Changes

• Redesigned how Materials hold Material_Components. See migration guide (Mat redesign #507)
• Made it easier to create an Isotope (now Nuclide): montepy.Nuclide("H-1.80c") Improve Isotope Instantiation #505
• Improved material printing to avoid very long lists of components (Material strings can become unruly. #144)
• Allow querying for materials by components (Allow querying materials by elements #95)
• Added support for getting and setting default libraries, e.g., nlib, from a material (Add support for particle specific libraries and default libraries.  #369)
• Added most objects to the top level so they can be accessed like: montepy.Cell.
• Made Material.is_atom_fraction settable (Make Material.is_atom_fraction settable #511)
• Added Material.clear to delete all components from a Material (Make Particle Type errors into warnings #655).

General Updates

• When a typo in an object attribute is made an Error is raised rather than silently having no effect (Implement __slots__ to avoid user confusion #508)
• Made NumberedObjectCollections act like a set (Make NumberedObjectCollection act like a set #138)
• Automatically added children objects, e.g., the surfaces in a cell, to the problem when the cell is added to the problem (Remove duplicate objects without relying on Hashing #63).
• Added ability to parse all MCNP objects from a string (Improve ab initio DataCard __init__ #88).
• Added function: MCNP_Problem.parse to parse arbitrary MCNP object (Improve ab initio DataCard __init__ #88).
• Warnings are no longer raised for comments that exceed the MCNP maximum line length (Do not warn about comments that go over the line length #188).
• If an importance is set for a particle type not included in mode a warning is raised, not an exception now (Treat missing particle types a Warning, not an error at least for parsing #381).
• Allowed any numbers.Real or numbers.Integral for when type is enforced (Relax 'float' type enforcement to any real number and 'int' type enforcement to any integral #679).
• Combine multiple LineExpansionWarnings coming from the same object on export (Combine lineExpansionWarnings for a single input #198).

Bugs Fixed

• Made it so that a material created from scratch can be written to file (Can't make a material from scratch and export it. #512).
• Added support for parsing materials with parameters mixed throughout the definition (Support poorly formatted Material definitions #182).
• Fixed bug where surf.is_reflecting would put an extra space in the output e.g., * 1 PZ... (Setting a surface as reflecting creates invalid syntax #697).
• Fixed bug where setting a lattice would print as LAT=None. Also switched CellModifier to print in the cell block by default (Cell lattice, fill, and universe aren't where I expect them to be.  #699).
• Fixed bug that wouldn't allow cloning most surfaces (KeyError in cloning a surface #704).
• Fixed bug that crashed when some cells were not assigned to any universes (Bug with no default universe #705).
• Fixed bug where setting surf.is_reflecting to False did not always get exported properly (Surfaces can't be unset from is_reflecting #709).
• Fixed bug where setting multiple universes for a cell fill not being properly exported (Multi-Universe fill can't be created from scratch #714).
• Corrected bug where blank importance objects can't be printed (Blank importance objects can't be printed #549).
• Fixed bug where the i ("x") and k ("z") dimensions of multiple universe matrix fills were switched (Fill multi-array is not iterating over values in the correct order #726).

Breaking Changes

• Removed Material.material_components (Mat redesign #507)
• Removed Isotope and changed them to Nuclide
• Removed MCNP_Problem.add_cell_children_to_problem as it is no longer needed.

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📚 Documentation preview 📚: https://montepy--720.org.readthedocs.build/en/720/