diff --git a/docs/releasehistory.md b/docs/releasehistory.md index 1cb381cf8..36713c6c8 100644 --- a/docs/releasehistory.md +++ b/docs/releasehistory.md @@ -9,6 +9,10 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w ## Current development +### Miscellaneous + +- [PR #2XXX](https://github.com/openforcefield/openff-toolkit/pull/2XXX): Removes many duplicate warnings about API stability. (Versions starting with 0.x have no stability guarantees, though efforts are made to communicate major API breaks and behavior changes beforehand.) + ### API-breaking changes ### Behavior changes diff --git a/docs/users/molecule_cookbook.ipynb b/docs/users/molecule_cookbook.ipynb index 6e9ea72b9..536f3813c 100644 --- a/docs/users/molecule_cookbook.ipynb +++ b/docs/users/molecule_cookbook.ipynb @@ -1227,11 +1227,7 @@ "\n", "Most `Molecule` creation methods don't specify the ordering of atoms in the new `Molecule`. The [`Molecule.remap()`](openff.toolkit.topology.Molecule.remap) method allows a new ordering to be applied to an existing `Molecule`.\n", "\n", - "See also [](#mapped-smiles).\n", - "\n", - ":::{warning}\n", - "The `Molecule.remap()` method is experimental and subject to change. \n", - ":::" + "See also [](#mapped-smiles)." ] }, { diff --git a/examples/inspect_assigned_parameters/inspect_assigned_parameters.ipynb b/examples/inspect_assigned_parameters/inspect_assigned_parameters.ipynb index d102a7d00..b947e0ea8 100644 --- a/examples/inspect_assigned_parameters/inspect_assigned_parameters.ipynb +++ b/examples/inspect_assigned_parameters/inspect_assigned_parameters.ipynb @@ -6,11 +6,7 @@ "source": [ "# Inspect parameters assigned to specific molecules\n", "\n", - "The Open Force Field Toolkit applies parameters based on the [SMARTS/SMIRKS language](http://www.daylight.com/dayhtml_tutorials/languages/smarts/). These examples are intended to expose how `ForceField` assigns SMIRKS-based parameters to test molecules.\n", - "\n", - "
\n", - " Note: This API is not final, and we will be implementing a better way to visualize assigned parameters in the future.\n", - "
" + "The Open Force Field Toolkit applies parameters based on the [SMARTS/SMIRKS language](http://www.daylight.com/dayhtml_tutorials/languages/smarts/). These examples are intended to expose how `ForceField` assigns SMIRKS-based parameters to test molecules." ] }, { diff --git a/openff/toolkit/topology/molecule.py b/openff/toolkit/topology/molecule.py index 3f452ab2e..eef6b35d2 100644 --- a/openff/toolkit/topology/molecule.py +++ b/openff/toolkit/topology/molecule.py @@ -125,7 +125,6 @@ class Particle(Serializable): A particle object could be an ``Atom`` or similar. - .. warning :: This API is experimental and subject to change. """ _molecule: "FrozenMolecule" @@ -212,7 +211,6 @@ class Atom(Particle): quantities (such as ``id`` or ``serial`` index in a PDB file), or string labels (such as Lennard-Jones types)? - .. warning :: This API is experimental and subject to change. """ def __init__( @@ -641,8 +639,6 @@ class Bond(Serializable): """ Chemical bond representation. - .. warning :: This API is experimental and subject to change. - .. todo :: Allow bonds to have associated properties. Attributes @@ -658,7 +654,6 @@ class Bond(Serializable): stereochemstry A string representing this stereochemistry of this bond. - .. warning :: This API is experimental and subject to change. """ def __init__( @@ -889,8 +884,6 @@ class FrozenMolecule(Serializable): >>> molecule = FrozenMolecule.from_smiles('Cc1ccccc1') - .. warning :: This API is experimental and subject to change. - """ @@ -1995,8 +1988,6 @@ def are_isomorphic( By default, all attributes are checked, but stereochemistry around pyrimidal nitrogen is ignored. - .. warning :: This API is experimental and subject to change. - Parameters ---------- mol1 @@ -2191,8 +2182,6 @@ def is_isomorphic_with( Check if the molecule is isomorphic with the other molecule which can be an openff.toolkit.topology.Molecule or nx.Graph(). Full matching is done using the options described bellow. - .. warning :: This API is experimental and subject to change. - Parameters ---------- other @@ -2727,8 +2716,6 @@ def assign_fractional_bond_orders( Bond orders are stored on each bond, in the ``bond.fractional_bond_order`` attribute. - .. warning :: This API is experimental and subject to change. - Parameters ---------- toolkit_registry @@ -4409,8 +4396,6 @@ def to_qcschema(self, multiplicity=1, conformer=0, extras=None): * ``extras["canonical_isomeric_explicit_hydrogen_mapped_smiles"]`` * ``identifiers["canonical_isomeric_explicit_hydrogen_mapped_smiles"]`` - .. warning :: This API is experimental and subject to change. - Parameters ---------- multiplicity @@ -4503,8 +4488,6 @@ def from_mapped_smiles( once; any duplicate, missing, or out-of-range mappings will cause the method to fail. - .. warning :: This API is experimental and subject to change. - Parameters ---------- mapped_smiles: str @@ -4750,8 +4733,6 @@ def from_pdb_and_smiles( Requires RDKit to be installed. - .. warning :: This API is experimental and subject to change. - The molecule is created and sanitised based on the SMILES string, we then find a mapping between this molecule and one from the PDB based only on atomic number and connections. The SMILES molecule is then reindexed to match the PDB, the conformer is attached, and the @@ -4799,8 +4780,6 @@ def canonical_order_atoms(self, toolkit_registry=GLOBAL_TOOLKIT_REGISTRY): order may change from toolkit version to toolkit version or between toolkits. - .. warning :: This API is experimental and subject to change. - Parameters ---------- toolkit_registry @@ -4851,8 +4830,6 @@ def remap( the new ordering. Other values of the properties dictionary are transferred unchanged. - .. warning :: This API is experimental and subject to change. - Parameters ---------- mapping_dict @@ -5195,8 +5172,6 @@ class Molecule(FrozenMolecule): >>> molecule = Molecule.from_smiles('Cc1ccccc1') - .. warning :: This API is experimental and subject to change. - """ def __init__(self, *args, **kwargs): diff --git a/openff/toolkit/topology/topology.py b/openff/toolkit/topology/topology.py index 3dc55ee7d..c02d01822 100644 --- a/openff/toolkit/topology/topology.py +++ b/openff/toolkit/topology/topology.py @@ -391,8 +391,6 @@ class Topology(Serializable): A Topology is a chemical representation of a system containing one or more molecules appearing in a specified order. - .. warning :: This API is experimental and subject to change. - Examples -------- diff --git a/openff/toolkit/typing/engines/smirnoff/forcefield.py b/openff/toolkit/typing/engines/smirnoff/forcefield.py index 6c7049bf1..19447e32c 100644 --- a/openff/toolkit/typing/engines/smirnoff/forcefield.py +++ b/openff/toolkit/typing/engines/smirnoff/forcefield.py @@ -510,8 +510,6 @@ def _register_parameter_handler_classes( """ Register multiple ParameterHandler classes, ensuring they specify unique tags to process - .. warning :: This API is experimental and subject to change. - Parameters ---------- parameter_handler_classes @@ -535,8 +533,6 @@ def _register_parameter_io_handler_classes( """ Register multiple ParameterIOHandler classes, ensuring they specify unique suffixes - .. warning :: This API is experimental and subject to change. - Parameters ---------- parameter_io_handler_classes @@ -566,8 +562,6 @@ def register_parameter_handler(self, parameter_handler: ParameterHandler): Register a new ParameterHandler for a specific tag, making it available for lookup in the ForceField. - .. warning :: This API is experimental and subject to change. - Parameters ---------- parameter_handler @@ -592,8 +586,6 @@ def register_parameter_io_handler(self, parameter_io_handler: ParameterIOHandler """ Register a new ParameterIOHandler, making it available for lookup in the ForceField. - .. warning :: This API is experimental and subject to change. - Parameters ---------- parameter_io_handler @@ -614,8 +606,6 @@ def registered_parameter_handlers(self) -> list[str]: """ Return the list of registered parameter handlers by name - .. warning :: This API is experimental and subject to change. - Returns ------- registered_parameter_handlers @@ -1193,8 +1183,6 @@ def create_interchange( """ Create an Interchange object from a ForceField, Topology, and (optionally) box vectors. - WARNING: This API and functionality are experimental and not suitable for production. - Parameters ---------- topology diff --git a/openff/toolkit/typing/engines/smirnoff/parameters.py b/openff/toolkit/typing/engines/smirnoff/parameters.py index ef0f967fb..b0d8ff74b 100644 --- a/openff/toolkit/typing/engines/smirnoff/parameters.py +++ b/openff/toolkit/typing/engines/smirnoff/parameters.py @@ -1143,9 +1143,6 @@ def add_cosmetic_attribute(self, attr_name, attr_value): in the OpenFF Toolkit, but can be written out during output. - .. warning :: The API for modifying cosmetic attributes is experimental - and may change in the future (see issue #338). - Parameters ---------- attr_name @@ -1161,9 +1158,6 @@ def delete_cosmetic_attribute(self, attr_name): """ Delete a cosmetic attribute from this object. - .. warning :: The API for modifying cosmetic attributes is experimental - and may change in the future (see issue #338). - Parameters ---------- attr_name @@ -1178,9 +1172,6 @@ def attribute_is_cosmetic(self, attr_name): """ Determine whether an attribute of this object is cosmetic. - .. warning :: The API for modifying cosmetic attributes is experimental - and may change in the future (see issue #338). - Parameters ---------- attr_name @@ -1373,8 +1364,6 @@ class ParameterList(list): """ Parameter list that also supports accessing items by SMARTS string. - .. warning :: This API is experimental and subject to change. - """ # TODO: Make this faster by caching SMARTS -> index lookup? @@ -1592,8 +1581,6 @@ class ParameterType(_ParameterAttributeHandler): This base class provides utilities to create new parameter types. See the below for examples of how to do this. - .. warning :: This API is experimental and subject to change. - Attributes ---------- smirks @@ -1759,8 +1746,6 @@ class ParameterHandler(_ParameterAttributeHandler): If you need to create a copy to attach to a different :class:`ForceField` object, use ``create_copy()``. - .. warning :: This API is experimental and subject to change. - """ # str of section type handled by this ParameterHandler (XML element name for SMIRNOFF XML representation) @@ -2362,14 +2347,10 @@ class ConstraintHandler(ParameterHandler): ``ConstraintHandler`` must be applied before ``BondHandler`` and ``AngleHandler``, since those classes add constraints for which equilibrium geometries are needed from those tags. - .. warning :: This API is experimental and subject to change. """ class ConstraintType(ParameterType): - """A SMIRNOFF constraint type - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF constraint type""" _ELEMENT_NAME = "Constraint" @@ -2380,16 +2361,10 @@ class ConstraintType(ParameterType): class BondHandler(ParameterHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class BondType(ParameterType): - """A SMIRNOFF bond type - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF bond type""" _ELEMENT_NAME = "Bond" @@ -2490,16 +2465,10 @@ def check_handler_compatibility(self, other_handler: "BondHandler"): class AngleHandler(ParameterHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class AngleType(ParameterType): - """A SMIRNOFF angle type. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF angle type.""" _ELEMENT_NAME = "Angle" @@ -2532,16 +2501,10 @@ def check_handler_compatibility(self, other_handler: "AngleHandler"): # TODO: There's a lot of duplicated code in ProperTorsionHandler and ImproperTorsionHandler class ProperTorsionHandler(ParameterHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class ProperTorsionType(ParameterType): - """A SMIRNOFF torsion type for proper torsions. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF torsion type for proper torsions.""" _ELEMENT_NAME = "Proper" @@ -2601,16 +2564,10 @@ def check_handler_compatibility(self, other_handler: "ProperTorsionHandler"): # TODO: There's a lot of duplicated code in ProperTorsionHandler and ImproperTorsionHandler class ImproperTorsionHandler(ParameterHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class ImproperTorsionType(ParameterType): - """A SMIRNOFF torsion type for improper torsions. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF torsion type for improper torsions.""" _ELEMENT_NAME = "Improper" @@ -2679,16 +2636,10 @@ class _NonbondedHandler(ParameterHandler): class vdWHandler(_NonbondedHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class vdWType(ParameterType): - """A SMIRNOFF vdWForce type. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF vdWForce type.""" _ELEMENT_NAME = "Atom" @@ -2853,10 +2804,7 @@ def check_handler_compatibility(self, other_handler: "vdWHandler"): class ElectrostaticsHandler(_NonbondedHandler): - """Handles SMIRNOFF ```` tags. - - .. warning :: This API is experimental and subject to change. - """ + """Handles SMIRNOFF ```` tags.""" _TAGNAME = "Electrostatics" _DEPENDENCIES = [vdWHandler] @@ -3039,16 +2987,10 @@ def check_handler_compatibility(self, other_handler: "ElectrostaticsHandler"): class LibraryChargeHandler(_NonbondedHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class LibraryChargeType(ParameterType): - """A SMIRNOFF Library Charge type. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF Library Charge type.""" _ELEMENT_NAME = "LibraryCharge" @@ -3243,10 +3185,7 @@ def check_handler_compatibility( class ToolkitAM1BCCHandler(_NonbondedHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" _TAGNAME = "ToolkitAM1BCC" # SMIRNOFF tag name to process _DEPENDENCIES = [vdWHandler, ElectrostaticsHandler, LibraryChargeHandler, NAGLChargesHandler] @@ -3275,16 +3214,10 @@ def check_handler_compatibility( class ChargeIncrementModelHandler(_NonbondedHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class ChargeIncrementType(ParameterType): - """A SMIRNOFF bond charge correction type. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF bond charge correction type.""" _ELEMENT_NAME = "ChargeIncrement" @@ -3367,16 +3300,10 @@ def find_matches(self, entity, unique=False): class GBSAHandler(ParameterHandler): - """Handle SMIRNOFF ```` tags - - .. warning :: This API is experimental and subject to change. - """ + """Handle SMIRNOFF ```` tags""" class GBSAType(ParameterType): - """A SMIRNOFF GBSA type. - - .. warning :: This API is experimental and subject to change. - """ + """A SMIRNOFF GBSA type.""" _ELEMENT_NAME = "Atom" @@ -3446,7 +3373,6 @@ class _BaseVirtualSiteType(ParameterType): """ Handle virtual site parameters, including geometry and electrostatics, but not vdW interactions. - .. warning :: This API is experimental and subject to change. """ _ELEMENT_NAME = "VirtualSite" @@ -3597,7 +3523,6 @@ def _supports_match(cls, type_: _VirtualSiteType, match: str, is_in_plane: bool class VirtualSiteHandler(_NonbondedHandler): """Handle SMIRNOFF ```` tags TODO: Add example usage/documentation - .. warning :: This API is experimental and subject to change. """ class VirtualSiteType(_BaseVirtualSiteType, vdWHandler.vdWType): diff --git a/openff/toolkit/typing/engines/smirnoff/plugins.py b/openff/toolkit/typing/engines/smirnoff/plugins.py index 73b5bc249..49145ef86 100644 --- a/openff/toolkit/typing/engines/smirnoff/plugins.py +++ b/openff/toolkit/typing/engines/smirnoff/plugins.py @@ -2,10 +2,6 @@ have been registered through the `entrypoint plugin system `_. -.. warning :: - - This feature is experimental and may be removed / altered in future versions. - Currently only ``ParameterHandler`` classes can be registered via the plugin system. This is possible by registering the handler class through an entry point in your projects ``setup.py`` file:: diff --git a/openff/toolkit/utils/ambertools_wrapper.py b/openff/toolkit/utils/ambertools_wrapper.py index 4d32a4044..3792b9cd5 100644 --- a/openff/toolkit/utils/ambertools_wrapper.py +++ b/openff/toolkit/utils/ambertools_wrapper.py @@ -30,7 +30,6 @@ class AmberToolsToolkitWrapper(base_wrapper.ToolkitWrapper): """ AmberTools toolkit wrapper - .. warning :: This API is experimental and subject to change. """ _toolkit_name = "AmberTools" @@ -112,8 +111,6 @@ def assign_partial_charges( Compute partial charges with AmberTools using antechamber/sqm, and assign the new values to the partial_charges attribute. - .. warning :: This API experimental and subject to change. - .. todo :: * Do we want to also allow ESP/RESP charges? @@ -392,8 +389,6 @@ def assign_fractional_bond_orders( Update and store list of bond orders this molecule. Bond orders are stored on each bond, in the `bond.fractional_bond_order` attribute. - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule diff --git a/openff/toolkit/utils/base_wrapper.py b/openff/toolkit/utils/base_wrapper.py index b39b48fc2..dc4865a2d 100644 --- a/openff/toolkit/utils/base_wrapper.py +++ b/openff/toolkit/utils/base_wrapper.py @@ -35,8 +35,6 @@ class ToolkitWrapper: """ Base class for wrappers around external software toolkits. - .. warning :: This API is experimental and subject to change. - See also ======== ToolkitRegistry, OpenEyeToolkitWrapper, RDKitToolkitWrapper, @@ -76,8 +74,6 @@ def toolkit_name(self): """ Return the name of the toolkit wrapped by this class as a str - .. warning :: This API is experimental and subject to change. - Returns ------- toolkit_name @@ -129,8 +125,6 @@ def toolkit_version(self): """ Return the version of the wrapped toolkit as a str - .. warning :: This API is experimental and subject to change. - Returns ------- toolkit_version diff --git a/openff/toolkit/utils/builtin_wrapper.py b/openff/toolkit/utils/builtin_wrapper.py index 3ae291a48..9b1bdfafa 100644 --- a/openff/toolkit/utils/builtin_wrapper.py +++ b/openff/toolkit/utils/builtin_wrapper.py @@ -20,7 +20,6 @@ class BuiltInToolkitWrapper(base_wrapper.ToolkitWrapper): """ Built-in ToolkitWrapper for very basic functionality. Intended for testing and not much more. - .. warning :: This API is experimental and subject to change. """ _toolkit_name = "Built-in Toolkit" @@ -51,9 +50,6 @@ def assign_partial_charges( Compute partial charges with the built-in toolkit using simple arithmetic operations, and assign the new values to the partial_charges attribute. - - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule diff --git a/openff/toolkit/utils/nagl_wrapper.py b/openff/toolkit/utils/nagl_wrapper.py index 7c7ec35e3..7587ce2ff 100644 --- a/openff/toolkit/utils/nagl_wrapper.py +++ b/openff/toolkit/utils/nagl_wrapper.py @@ -72,8 +72,6 @@ def assign_partial_charges( """ Compute partial charges with NAGL and store in ``self.partial_charges`` - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule diff --git a/openff/toolkit/utils/openeye_wrapper.py b/openff/toolkit/utils/openeye_wrapper.py index 831746d23..f33237e84 100644 --- a/openff/toolkit/utils/openeye_wrapper.py +++ b/openff/toolkit/utils/openeye_wrapper.py @@ -89,7 +89,6 @@ class OpenEyeToolkitWrapper(ToolkitWrapper): """ OpenEye toolkit wrapper - .. warning :: This API is experimental and subject to change. """ _toolkit_name = "OpenEye Toolkit" @@ -1081,8 +1080,6 @@ def from_openeye( ``partial_charges = None``. This assumption is made in both ``to_openeye`` and ``from_openeye``. - .. warning :: This API is experimental and subject to change. - Parameters ---------- oemol @@ -1470,8 +1467,6 @@ def to_openeye( * Should the aromaticity model be specified in some other way? - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule @@ -1947,8 +1942,6 @@ def from_smiles( """ Create a Molecule from a SMILES string using the OpenEye toolkit. - .. warning :: This API is experimental and subject to change. - Parameters ---------- smiles @@ -2105,8 +2098,6 @@ def generate_conformers( r""" Generate molecule conformers using OpenEye Omega. - .. warning :: This API is experimental and subject to change. - .. todo :: * which parameters should we expose? (or can we implement a general system with \*\*kwargs?) @@ -2276,8 +2267,6 @@ def assign_partial_charges( Compute partial charges with OpenEye quacpac, and assign the new values to the partial_charges attribute. - .. warning :: This API is experimental and subject to change. - .. todo :: * Should the default be ELF? @@ -2446,8 +2435,6 @@ def assign_fractional_bond_orders( Update and store list of bond orders this molecule. Bond orders are stored on each bond, in the `bond.fractional_bond_order` attribute. - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule @@ -2702,8 +2689,6 @@ def find_smarts_matches( """ Find all SMARTS matches for the specified molecule, using the specified aromaticity model. - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule diff --git a/openff/toolkit/utils/rdkit_wrapper.py b/openff/toolkit/utils/rdkit_wrapper.py index 1626f2bd4..90d1da47a 100644 --- a/openff/toolkit/utils/rdkit_wrapper.py +++ b/openff/toolkit/utils/rdkit_wrapper.py @@ -73,7 +73,6 @@ class RDKitToolkitWrapper(base_wrapper.ToolkitWrapper): """ RDKit toolkit wrapper - .. warning :: This API is experimental and subject to change. """ _toolkit_name = "The RDKit" @@ -1033,8 +1032,6 @@ def from_file_obj( A file-like object is an object with a ".read()" method. - .. warning :: This API is experimental and subject to change. - Parameters ---------- file_obj @@ -1405,8 +1402,6 @@ def from_smiles( """ Create a Molecule from a SMILES string using the RDKit toolkit. - .. warning :: This API is experimental and subject to change. - Parameters ---------- smiles @@ -1575,8 +1570,6 @@ def generate_conformers( r""" Generate molecule conformers using RDKit. - .. warning :: This API is experimental and subject to change. - .. todo :: * which parameters should we expose? (or can we implement a general system with \*\*kwargs?) @@ -1655,8 +1648,6 @@ def assign_partial_charges( Compute partial charges with RDKit, and assign the new values to the partial_charges attribute. - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule @@ -2088,8 +2079,6 @@ def from_rdkit( Requires the RDKit to be installed. - .. warning :: This API is experimental and subject to change. - Parameters ---------- rdmol @@ -2491,8 +2480,6 @@ def to_rdkit(self, molecule: "Molecule", aromaticity_model: str = DEFAULT_AROMAT Create an RDKit molecule Requires the RDKit to be installed. - .. warning :: This API is experimental and subject to change. - Parameters ---------- @@ -2868,8 +2855,6 @@ def find_smarts_matches( """ Find all SMARTS matches for the specified molecule, using the specified aromaticity model. - .. warning :: This API is experimental and subject to change. - Parameters ---------- molecule diff --git a/openff/toolkit/utils/toolkit_registry.py b/openff/toolkit/utils/toolkit_registry.py index 1346f9abc..dc322cbe4 100644 --- a/openff/toolkit/utils/toolkit_registry.py +++ b/openff/toolkit/utils/toolkit_registry.py @@ -72,7 +72,6 @@ class ToolkitRegistry: For more, see the :py:meth:`call` method. - .. warning :: This API is experimental and subject to change. """ _toolkits: list[ToolkitWrapper] @@ -134,8 +133,6 @@ def registered_toolkits(self) -> list[ToolkitWrapper]: """ List registered toolkits. - .. warning :: This API is experimental and subject to change. - .. todo :: Should this return a generator? Deep copies? Classes? Toolkit names? Returns @@ -149,8 +146,6 @@ def registered_toolkit_versions(self) -> dict[str, str]: """ Return a dict containing the version of each registered toolkit. - .. warning :: This API is experimental and subject to change. - Returns ------- toolkit_versions @@ -290,8 +285,6 @@ def register_toolkit( """ Register the provided toolkit wrapper class, instantiating an object of it. - .. warning :: This API is experimental and subject to change. - .. todo :: This method should raise an exception if the toolkit is unavailable, unless an optional argument @@ -334,8 +327,6 @@ def deregister_toolkit(self, toolkit_wrapper: ToolkitWrapper): """ Remove a ToolkitWrapper from the list of toolkits in this ToolkitRegistry - .. warning :: This API is experimental and subject to change. - Parameters ---------- toolkit_wrapper @@ -376,8 +367,6 @@ def add_toolkit(self, toolkit_wrapper: ToolkitWrapper): """ Append a ToolkitWrapper onto the list of toolkits in this ToolkitRegistry - .. warning :: This API is experimental and subject to change. - Parameters ---------- toolkit_wrapper