modelbase2 0.1.79__py3-none-any.whl → 0.3.0__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (59) hide show
  1. modelbase2/__init__.py +148 -25
  2. modelbase2/distributions.py +336 -0
  3. modelbase2/experimental/__init__.py +17 -0
  4. modelbase2/experimental/codegen.py +239 -0
  5. modelbase2/experimental/diff.py +227 -0
  6. modelbase2/experimental/notes.md +4 -0
  7. modelbase2/experimental/tex.py +521 -0
  8. modelbase2/fit.py +284 -0
  9. modelbase2/fns.py +185 -0
  10. modelbase2/integrators/__init__.py +19 -0
  11. modelbase2/integrators/int_assimulo.py +146 -0
  12. modelbase2/integrators/int_scipy.py +147 -0
  13. modelbase2/label_map.py +610 -0
  14. modelbase2/linear_label_map.py +301 -0
  15. modelbase2/mc.py +548 -0
  16. modelbase2/mca.py +280 -0
  17. modelbase2/model.py +1621 -0
  18. modelbase2/nnarchitectures.py +128 -0
  19. modelbase2/npe.py +271 -0
  20. modelbase2/parallel.py +171 -0
  21. modelbase2/parameterise.py +28 -0
  22. modelbase2/paths.py +36 -0
  23. modelbase2/plot.py +832 -0
  24. modelbase2/sbml/__init__.py +14 -0
  25. modelbase2/sbml/_data.py +77 -0
  26. modelbase2/sbml/_export.py +656 -0
  27. modelbase2/sbml/_import.py +585 -0
  28. modelbase2/sbml/_mathml.py +691 -0
  29. modelbase2/sbml/_name_conversion.py +52 -0
  30. modelbase2/sbml/_unit_conversion.py +74 -0
  31. modelbase2/scan.py +616 -0
  32. modelbase2/scope.py +96 -0
  33. modelbase2/simulator.py +635 -0
  34. modelbase2/surrogates/__init__.py +31 -0
  35. modelbase2/surrogates/_poly.py +91 -0
  36. modelbase2/surrogates/_torch.py +191 -0
  37. modelbase2/surrogates.py +316 -0
  38. modelbase2/types.py +352 -11
  39. modelbase2-0.3.0.dist-info/METADATA +93 -0
  40. modelbase2-0.3.0.dist-info/RECORD +43 -0
  41. {modelbase2-0.1.79.dist-info → modelbase2-0.3.0.dist-info}/WHEEL +1 -1
  42. modelbase2/core/__init__.py +0 -29
  43. modelbase2/core/algebraic_module_container.py +0 -130
  44. modelbase2/core/constant_container.py +0 -113
  45. modelbase2/core/data.py +0 -109
  46. modelbase2/core/name_container.py +0 -29
  47. modelbase2/core/reaction_container.py +0 -115
  48. modelbase2/core/utils.py +0 -28
  49. modelbase2/core/variable_container.py +0 -24
  50. modelbase2/ode/__init__.py +0 -13
  51. modelbase2/ode/integrator.py +0 -80
  52. modelbase2/ode/mca.py +0 -270
  53. modelbase2/ode/model.py +0 -470
  54. modelbase2/ode/simulator.py +0 -153
  55. modelbase2/utils/__init__.py +0 -0
  56. modelbase2/utils/plotting.py +0 -372
  57. modelbase2-0.1.79.dist-info/METADATA +0 -44
  58. modelbase2-0.1.79.dist-info/RECORD +0 -22
  59. {modelbase2-0.1.79.dist-info → modelbase2-0.3.0.dist-info/licenses}/LICENSE +0 -0
@@ -0,0 +1,14 @@
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+ """SBML support for modelbase2.
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+
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+ Allows importing and exporting metabolic models in SBML format.
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+ """
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+
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+ from __future__ import annotations
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+
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+ __all__ = [
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+ "read",
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+ "write",
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+ ]
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+
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+ from ._export import write
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+ from ._import import read
@@ -0,0 +1,77 @@
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+ from __future__ import annotations
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+
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+ __all__ = [
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+ "AtomicUnit",
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+ "Compartment",
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+ "CompositeUnit",
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+ "Compound",
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+ "Derived",
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+ "Function",
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+ "Parameter",
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+ "Reaction",
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+ ]
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+
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+ from dataclasses import dataclass
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+ from typing import TYPE_CHECKING
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+
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+ if TYPE_CHECKING:
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+ from collections.abc import Mapping
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+
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+
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+ @dataclass
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+ class AtomicUnit:
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+ kind: str
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+ exponent: int
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+ scale: int
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+ multiplier: float
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+
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+
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+ @dataclass
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+ class CompositeUnit:
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+ sbml_id: str
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+ units: list
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+
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+
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+ @dataclass
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+ class Parameter:
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+ value: float
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+ is_constant: bool
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+
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+
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+ @dataclass
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+ class Compartment:
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+ name: str
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+ dimensions: int
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+ size: float
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+ units: str
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+ is_constant: bool
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+
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+
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+ @dataclass
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+ class Compound:
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+ compartment: str | None
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+ initial_amount: float
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+ substance_units: str | None
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+ has_only_substance_units: bool
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+ has_boundary_condition: bool
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+ is_constant: bool
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+ is_concentration: bool
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+
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+
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+ @dataclass
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+ class Derived:
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+ body: str
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+ args: list[str]
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+
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+
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+ @dataclass
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+ class Function:
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+ body: str
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+ args: list[str]
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+
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+
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+ @dataclass
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+ class Reaction:
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+ body: str
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+ stoichiometry: Mapping[str, float | str]
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+ args: list[str]