Updated genutils.typetools imports

polymerist/analysis/mdtrajutils.py

@@ -15,7 +15,7 @@
 from openmm.unit import nanometer, nanosecond, dimensionless
 
 from ..unitutils.dimensions import hasunits
-from ..genutils.typetools import T, Args, KWArgs
+from ..genutils.typetools.parametric import T, Args, KWArgs
 from ..genutils.decorators.signatures import modify_param_annotation_by_index
 
 

polymerist/duration.py

@@ -8,7 +8,7 @@
 from datetime import timedelta
 from openmm.unit import Quantity, microsecond, millisecond, second, minute, hour, day, year # TODO : remove dependence on OpenMM for Unit support
 
-from polymerist.genutils.typetools import _union_member_factory
+from .genutils.typetools.categorical import _union_member_factory
 
 
 # TIME CONVERSION CONSTANTS

polymerist/genutils/decorators/classmod.py

@@ -1,7 +1,7 @@
 '''Decorators for modifying classes'''
 
 from typing import Callable, Iterable, Optional, TypeVar
-from ..typetools import C
+C = TypeVar('C')
 
 
 def generate_repr(cls : Optional[C]=None, disp_attrs : Optional[Iterable[str]]=None, lookup_attr : Optional[str]=None):

polymerist/genutils/decorators/functional.py

@@ -10,19 +10,19 @@
 
 from .meta import extend_to_methods
 from . import signatures
-from ..typetools import O, T, Args, KWArgs
+from ..typetools.parametric import T, Args, KWArgs
 from ..fileutils.pathutils import aspath, asstrpath
 
 
 @extend_to_methods
-def optional_in_place(funct : Callable[[O, Args, KWArgs], None]) -> Callable[[O, Args, bool, KWArgs], Optional[O]]:
+def optional_in_place(funct : Callable[[object, Args, KWArgs], None]) -> Callable[[object, Args, bool, KWArgs], Optional[object]]:
     '''Decorator function for allowing in-place (writeable) functions which modify object attributes
     to be not performed in-place (i.e. read-only), specified by a boolean flag'''
     # TODO : add assertion that the wrapped function has at least one arg AND that the first arg is of the desired (limited) type
     old_sig = inspect.signature(funct)
 
     @wraps(funct) # for preserving docstring and type annotations / signatures
-    def in_place_wrapper(obj : O, *args : Args, in_place : bool=False, **kwargs : KWArgs) -> Optional[O]: # read-only by default
+    def in_place_wrapper(obj : object, *args : Args, in_place : bool=False, **kwargs : KWArgs) -> Optional[object]: # read-only by default
         '''If not in-place, create a clone on which the method is executed''' # NOTE : old_sig.bind screws up arg passing
         if in_place:
             funct(obj, *args, **kwargs) # default call to writeable method - implicitly returns None

polymerist/genutils/decorators/meta.py

@@ -3,7 +3,7 @@
 from typing import Concatenate, Callable, ParamSpec, TypeAlias, TypeVar
 from functools import update_wrapper
 
-from ..typetools import C, O, P, R, Args, KWArgs
+from ..typetools.parametric import C, O, P, R, Args, KWArgs
 Decorator : TypeAlias = Callable[[Callable[P, R]], Callable[P, R]]
 
 

polymerist/genutils/iteration.py

@@ -5,7 +5,7 @@
 from itertools import islice, combinations, product as cartesian_product
 from collections import deque
 
-from .typetools import Args, KWArgs
+from .typetools.parametric import Args, KWArgs
 from .decorators.functional import optional_in_place
 
 

polymerist/maths/lattices.py

@@ -6,7 +6,7 @@
 import numpy as np
 from itertools import product as cartesian_product
 
-from ..genutils.typetools import Shape, N
+from ..genutils.typetools.numpytypes import Shape, N
 
 
 def generate_int_lattice(*dims : Iterable[int]) -> np.ndarray[Shape[N, 3], int]:

polymerist/maths/linearalg/decomposition.py

@@ -1,7 +1,7 @@
 '''Tools for matrix decomposition'''
 
 import numpy as np
-from ...genutils.typetools import Shape, DType, N, M
+from ...genutils.typetools.numpytypes import Shape, DType, N, M
 
 
 def diagonalize(matrix : np.ndarray) -> tuple[np.ndarray]:

polymerist/openmmtools/reporters.py

@@ -10,7 +10,7 @@
 from openmm.app import PDBReporter, PDBxReporter, DCDReporter
 from openmm.app import StateDataReporter, CheckpointReporter
 
-from ..genutils.typetools import Args, KWArgs
+from ..genutils.typetools.parametric import Args, KWArgs
 from ..genutils.fileutils.pathutils import assemble_path
 from ..genutils.fileutils.jsonio.jsonify import make_jsonifiable
 from ..genutils.fileutils.jsonio.serialize import PathSerializer

polymerist/rdutils/labeling/bondwise.py

@@ -9,7 +9,7 @@
 from ..rdtypes import RDMol, RDBond
 from .molwise import atom_ids_by_map_nums
 
-from ...genutils.typetools import Args, KWArgs
+from ...genutils.typetools.parametric import Args, KWArgs
 from ...genutils.iteration import sliding_window
 from ...genutils.decorators.functional import optional_in_place
 

polymerist/rdutils/rdtypes.py

@@ -3,7 +3,7 @@
 from typing import Any, TypeAlias, Union
 from rdkit import Chem
 
-from ..genutils.typetools import _union_member_factory
+from ..genutils.typetools.categorical import _union_member_factory
 
 # DEFINING RDKit TYPES
 RDMol  = Chem.rdchem.Mol