modelbase2 0.1.79__py3-none-any.whl → 0.2.0__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.
- modelbase2/__init__.py +138 -26
- modelbase2/distributions.py +306 -0
- modelbase2/experimental/__init__.py +17 -0
- modelbase2/experimental/codegen.py +239 -0
- modelbase2/experimental/diff.py +227 -0
- modelbase2/experimental/notes.md +4 -0
- modelbase2/experimental/tex.py +521 -0
- modelbase2/fit.py +284 -0
- modelbase2/fns.py +185 -0
- modelbase2/integrators/__init__.py +19 -0
- modelbase2/integrators/int_assimulo.py +146 -0
- modelbase2/integrators/int_scipy.py +147 -0
- modelbase2/label_map.py +610 -0
- modelbase2/linear_label_map.py +301 -0
- modelbase2/mc.py +548 -0
- modelbase2/mca.py +280 -0
- modelbase2/model.py +1621 -0
- modelbase2/npe.py +343 -0
- modelbase2/parallel.py +171 -0
- modelbase2/parameterise.py +28 -0
- modelbase2/paths.py +36 -0
- modelbase2/plot.py +829 -0
- modelbase2/sbml/__init__.py +14 -0
- modelbase2/sbml/_data.py +77 -0
- modelbase2/sbml/_export.py +656 -0
- modelbase2/sbml/_import.py +585 -0
- modelbase2/sbml/_mathml.py +691 -0
- modelbase2/sbml/_name_conversion.py +52 -0
- modelbase2/sbml/_unit_conversion.py +74 -0
- modelbase2/scan.py +616 -0
- modelbase2/scope.py +96 -0
- modelbase2/simulator.py +635 -0
- modelbase2/surrogates/__init__.py +32 -0
- modelbase2/surrogates/_poly.py +66 -0
- modelbase2/surrogates/_torch.py +249 -0
- modelbase2/surrogates.py +316 -0
- modelbase2/types.py +352 -11
- modelbase2-0.2.0.dist-info/METADATA +81 -0
- modelbase2-0.2.0.dist-info/RECORD +42 -0
- {modelbase2-0.1.79.dist-info → modelbase2-0.2.0.dist-info}/WHEEL +1 -1
- modelbase2/core/__init__.py +0 -29
- modelbase2/core/algebraic_module_container.py +0 -130
- modelbase2/core/constant_container.py +0 -113
- modelbase2/core/data.py +0 -109
- modelbase2/core/name_container.py +0 -29
- modelbase2/core/reaction_container.py +0 -115
- modelbase2/core/utils.py +0 -28
- modelbase2/core/variable_container.py +0 -24
- modelbase2/ode/__init__.py +0 -13
- modelbase2/ode/integrator.py +0 -80
- modelbase2/ode/mca.py +0 -270
- modelbase2/ode/model.py +0 -470
- modelbase2/ode/simulator.py +0 -153
- modelbase2/utils/__init__.py +0 -0
- modelbase2/utils/plotting.py +0 -372
- modelbase2-0.1.79.dist-info/METADATA +0 -44
- modelbase2-0.1.79.dist-info/RECORD +0 -22
- {modelbase2-0.1.79.dist-info → modelbase2-0.2.0.dist-info/licenses}/LICENSE +0 -0
@@ -0,0 +1,52 @@
|
|
1
|
+
from __future__ import annotations
|
2
|
+
|
3
|
+
import keyword
|
4
|
+
import re
|
5
|
+
|
6
|
+
__all__ = ["RE_FROM_SBML", "RE_KWDS", "SBML_DOT"]
|
7
|
+
|
8
|
+
RE_KWDS = re.compile("|".join(f"^{i}$" for i in keyword.kwlist))
|
9
|
+
SBML_DOT = "__SBML_DOT__"
|
10
|
+
RE_FROM_SBML = re.compile(r"__(\d+)__")
|
11
|
+
|
12
|
+
|
13
|
+
def _escape_keyword(re_sub: re.Match) -> str:
|
14
|
+
return f"{re_sub.group(0)}_"
|
15
|
+
|
16
|
+
|
17
|
+
def _ascii_to_character(re_sub: re.Match) -> str:
|
18
|
+
"""Convert an escaped non-alphanumeric character."""
|
19
|
+
return chr(int(re_sub.group(1)))
|
20
|
+
|
21
|
+
|
22
|
+
def _name_to_py(name: str) -> str:
|
23
|
+
name = RE_FROM_SBML.sub(_ascii_to_character, name)
|
24
|
+
name = RE_KWDS.sub(_escape_keyword, name)
|
25
|
+
name = (
|
26
|
+
name.replace(SBML_DOT, ".")
|
27
|
+
.replace(" ", "_")
|
28
|
+
.replace("-", "_")
|
29
|
+
.replace("(", "")
|
30
|
+
.replace(")", "")
|
31
|
+
.replace("[", "")
|
32
|
+
.replace("]", "")
|
33
|
+
.replace(".", "")
|
34
|
+
.replace(",", "")
|
35
|
+
.replace(":", "")
|
36
|
+
.replace(";", "")
|
37
|
+
.replace('"', "")
|
38
|
+
.replace("'", "")
|
39
|
+
.replace("^", "")
|
40
|
+
.replace("|", "")
|
41
|
+
.replace("=", "eq")
|
42
|
+
.replace(">", "lg")
|
43
|
+
.replace("<", "sm")
|
44
|
+
.replace("+", "plus")
|
45
|
+
.replace("-", "minus")
|
46
|
+
.replace("*", "star")
|
47
|
+
.replace("/", "div")
|
48
|
+
# .lower()
|
49
|
+
)
|
50
|
+
if not name[0].isalpha():
|
51
|
+
return f"_{name}"
|
52
|
+
return name
|
@@ -0,0 +1,74 @@
|
|
1
|
+
from __future__ import annotations
|
2
|
+
|
3
|
+
__all__ = ["get_ast_types", "get_operator_mappings", "get_unit_conversion"]
|
4
|
+
|
5
|
+
|
6
|
+
import libsbml
|
7
|
+
|
8
|
+
unit_conversion = {
|
9
|
+
"UNIT_KIND_AMPERE": "AMPERE",
|
10
|
+
"UNIT_KIND_AVOGADRO": "AVOGADRO",
|
11
|
+
"UNIT_KIND_BECQUEREL": "BECQUEREL",
|
12
|
+
"UNIT_KIND_CANDELA": "CANDELA",
|
13
|
+
"UNIT_KIND_CELSIUS": "CELSIUS",
|
14
|
+
"UNIT_KIND_COULOMB": "COULOMB",
|
15
|
+
"UNIT_KIND_DIMENSIONLESS": "DIMENSIONLESS",
|
16
|
+
"UNIT_KIND_FARAD": "FARAD",
|
17
|
+
"UNIT_KIND_GRAM": "GRAM",
|
18
|
+
"UNIT_KIND_GRAY": "GRAY",
|
19
|
+
"UNIT_KIND_HENRY": "HENRY",
|
20
|
+
"UNIT_KIND_HERTZ": "HERTZ",
|
21
|
+
"UNIT_KIND_ITEM": "ITEM",
|
22
|
+
"UNIT_KIND_JOULE": "JOULE",
|
23
|
+
"UNIT_KIND_KATAL": "KATAL",
|
24
|
+
"UNIT_KIND_KELVIN": "KELVIN",
|
25
|
+
"UNIT_KIND_KILOGRAM": "KILOGRAM",
|
26
|
+
"UNIT_KIND_LITER": "LITER",
|
27
|
+
"UNIT_KIND_LITRE": "LITER",
|
28
|
+
"UNIT_KIND_LUMEN": "LUMEN",
|
29
|
+
"UNIT_KIND_LUX": "LUX",
|
30
|
+
"UNIT_KIND_METER": "METER",
|
31
|
+
"UNIT_KIND_METRE": "METRE",
|
32
|
+
"UNIT_KIND_MOLE": "MOLE",
|
33
|
+
"UNIT_KIND_NEWTON": "NEWTON",
|
34
|
+
"UNIT_KIND_OHM": "OHM",
|
35
|
+
"UNIT_KIND_PASCAL": "PASCAL",
|
36
|
+
"UNIT_KIND_RADIAN": "RADIAN",
|
37
|
+
"UNIT_KIND_SECOND": "SECOND",
|
38
|
+
"UNIT_KIND_SIEMENS": "SIEMENS",
|
39
|
+
"UNIT_KIND_SIEVERT": "SIEVERT",
|
40
|
+
"UNIT_KIND_STERADIAN": "STERADIAN",
|
41
|
+
"UNIT_KIND_TESLA": "TESLA",
|
42
|
+
"UNIT_KIND_VOLT": "VOLT",
|
43
|
+
"UNIT_KIND_WATT": "WATT",
|
44
|
+
"UNIT_KIND_WEBER": "WEBER",
|
45
|
+
"UNIT_KIND_INVALID": "INVALID",
|
46
|
+
}
|
47
|
+
|
48
|
+
|
49
|
+
def get_unit_conversion() -> dict[str, str]:
|
50
|
+
return {getattr(libsbml, k): v.lower() for k, v in unit_conversion.items()}
|
51
|
+
|
52
|
+
|
53
|
+
ast_types = dict(
|
54
|
+
sorted(
|
55
|
+
{getattr(libsbml, i): i for i in dir(libsbml) if i.startswith("AST_")}.items()
|
56
|
+
)
|
57
|
+
)
|
58
|
+
|
59
|
+
|
60
|
+
def get_ast_types() -> dict[str, str]:
|
61
|
+
return ast_types
|
62
|
+
|
63
|
+
|
64
|
+
operator_mappings = {
|
65
|
+
"AST_TIMES": "*",
|
66
|
+
"AST_PLUS": "+",
|
67
|
+
"AST_MINUS": "-",
|
68
|
+
"AST_DIVIDE": "/",
|
69
|
+
"AST_POWER": "**",
|
70
|
+
}
|
71
|
+
|
72
|
+
|
73
|
+
def get_operator_mappings() -> dict[str, str]:
|
74
|
+
return operator_mappings
|