stjames 0.0.46__py3-none-any.whl → 0.0.48__py3-none-any.whl

stjames/base.py

@@ -12,7 +12,7 @@ class Base(pydantic.BaseModel):
     @classmethod
     def coerce_numpy(cls, val: _T) -> _T | list[Any]:
         if isinstance(val, np.ndarray):
-            return val.tolist()  # type: ignore [no-any-return, unused-ignore]
+            return val.tolist()  # type: ignore [no-any-return, unused-ignore, return-value]
 
         return val
 

stjames/method.py

@@ -32,8 +32,10 @@ class Method(LowercaseStrEnum):
 
     AIMNET2_WB97MD3 = "aimnet2_wb97md3"
     MACE_MP_0 = "mace_mp_0"
+    MACE_MP_0B2_L = "mace_mp_0b2_l"
     OCP24_S = "ocp24_s"
     OCP24_L = "ocp24_l"
+    ORB_V2 = "orb_v2"
 
     GFN_FF = "gfn_ff"
     GFN0_XTB = "gfn0_xtb"
@@ -43,9 +45,17 @@ class Method(LowercaseStrEnum):
     # this was going to be removed, but Jonathon wrote such a nice basis set test... it's off the front end.
     BP86 = "bp86"
 
+    OFF_SAGE_2_2_1 = "off_sage_2_2_1"
 
-NNPMethod = Literal[Method.AIMNET2_WB97MD3]
-NNP_METHODS = [Method.AIMNET2_WB97MD3]
+
+PrepackagedNNPMethod = Literal[Method.AIMNET2_WB97MD3, Method.OCP24_S, Method.OCP24_L]
+PREPACKAGED_NNP_METHODS = [Method.AIMNET2_WB97MD3, Method.OCP24_S, Method.OCP24_L]
+
+CorrectableNNPMethod = Literal[Method.MACE_MP_0B2_L, Method.ORB_V2]
+CORRECTABLE_NNP_METHODS = [Method.MACE_MP_0B2_L, Method.ORB_V2]
+
+NNPMethod = PrepackagedNNPMethod | CorrectableNNPMethod
+NNP_METHODS = [*PREPACKAGED_NNP_METHODS, *CORRECTABLE_NNP_METHODS]
 
 XTBMethod = Literal[Method.GFN_FF, Method.GFN0_XTB, Method.GFN1_XTB, Method.GFN2_XTB]
 XTB_METHODS = [Method.GFN_FF, Method.GFN0_XTB, Method.GFN1_XTB, Method.GFN2_XTB]
@@ -53,8 +63,11 @@ XTB_METHODS = [Method.GFN_FF, Method.GFN0_XTB, Method.GFN1_XTB, Method.GFN2_XTB]
 CompositeMethod = Literal[Method.HF3C, Method.B973C, Method.R2SCAN3C, Method.WB97X3C]
 COMPOSITE_METHODS = [Method.HF3C, Method.B973C, Method.R2SCAN3C, Method.WB97X3C]
 
-PrepackagedMethod = XTBMethod | CompositeMethod | NNPMethod
-PREPACKAGED_METHODS = [*XTB_METHODS, *COMPOSITE_METHODS]
+FFMethod = Literal[Method.OFF_SAGE_2_2_1]
+FF_METHODS = [Method.OFF_SAGE_2_2_1]
+
+PrepackagedMethod = XTBMethod | CompositeMethod | PrepackagedNNPMethod | FFMethod
+PREPACKAGED_METHODS = [*XTB_METHODS, *COMPOSITE_METHODS, *PREPACKAGED_NNP_METHODS, *FF_METHODS]
 
 MethodWithCorrection = Literal[Method.WB97XD3, Method.WB97XV, Method.WB97MV, Method.WB97MD3BJ, Method.DSDBLYPD3BJ]
 METHODS_WITH_CORRECTION = [Method.WB97XD3, Method.WB97XV, Method.WB97MV, Method.WB97MD3BJ, Method.DSDBLYPD3BJ, Method.B97D3BJ]

stjames/pdb.py

@@ -0,0 +1,197 @@
+from datetime import date
+from pathlib import Path
+from typing import Any, Literal
+
+import atomium  # type: ignore [import-untyped]
+from atomium.pdb import pdb_dict_to_data_dict, pdb_string_to_pdb_dict  # type: ignore [import-untyped]
+from pydantic import BaseModel, ConfigDict, Field
+
+from stjames.types import Matrix3x3, Vector3D
+
+# Mostly for testing purposes
+EXTRA: Literal["allow", "ignore", "forbid"] = "allow"
+
+
+class PDBAtom(BaseModel):
+    """An atom within a residue."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    x: float
+    y: float
+    z: float
+    element: str
+    name: str
+    charge: float
+    occupancy: float
+    alt_loc: str | None
+    anisotropy: list[float]
+    bvalue: float
+    is_hetatm: bool
+
+
+class PDBWater(BaseModel):
+    """A water molecule."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    name: str | None
+    full_name: str | None
+    atoms: dict[int, PDBAtom] = {}
+    internal_id: str | None
+    polymer: str
+
+
+class PDBResidue(BaseModel):
+    """A structure."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    name: str | None
+    full_name: str | None = None
+    atoms: dict[int, PDBAtom] = {}
+    number: int
+
+
+class PDBPolymer(BaseModel):
+    """A polymer chain."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    internal_id: str
+    helices: list[list[str]] = []
+    residues: dict[str, PDBResidue] = {}
+    sequence: str | None
+    strands: list[list[str]] = []
+
+
+class PDBNonPolymer(BaseModel):
+    """Non-polymeric molecules/atoms (e.g. ions and ligands)."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    name: str
+    full_name: str | None = None
+    atoms: dict[int, PDBAtom]
+    internal_id: str
+    polymer: str
+
+
+class PDBModel(BaseModel):
+    """Structure data."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    polymer: dict[str, PDBPolymer] = {}
+    non_polymer: dict[str, PDBNonPolymer] = Field(alias="non-polymer", default_factory=dict)
+    branched: dict[str, Any] = {}
+    water: dict[str, PDBWater] = {}
+
+
+class PDBTransformations(BaseModel):
+    """Transformations applied to the structure."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    chains: list[str]
+    matrix: Matrix3x3
+    vector: Vector3D
+
+
+class PDBAssembly(BaseModel):
+    """How the structure was assembled."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    transformations: list[PDBTransformations]
+    software: str | None
+    buried_surface_area: float | None
+    surface_area: float | None
+    delta_energy: float | None
+    id: int
+
+
+class PDBCrystallography(BaseModel):
+    """Crystallography related information."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    space_group: str | None = None
+    unit_cell: list[float] | None = None
+
+
+class PDBGeometry(BaseModel):
+    """Details of the geometry."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    assemblies: list[PDBAssembly] = []
+    crystallography: PDBCrystallography = Field(default_factory=PDBCrystallography)
+
+
+class PDBQuality(BaseModel):
+    """Quality metrics."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    resolution: float | None = None
+    rfree: float | None = None
+    rvalue: float | None = None
+
+
+class PDBMissingResidue(BaseModel):
+    model_config = ConfigDict(extra=EXTRA)
+
+    name: str
+    id: str
+
+
+class PDBExperiment(BaseModel):
+    """Details of the experiment."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    expression_system: str | None
+    missing_residues: list[PDBMissingResidue] = []
+    source_organism: str | None
+    technique: str | None
+
+
+class PDBDescription(BaseModel):
+    """A description of the molecule."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    code: str | None
+    title: str | None
+    authors: list[str] = []
+    classification: str | None
+    deposition_date: date | None
+    keywords: list[str] = []
+
+
+class PDB(BaseModel):
+    """A PDB formatted file."""
+
+    model_config = ConfigDict(extra=EXTRA)
+
+    description: PDBDescription
+    experiment: PDBExperiment
+    geometry: PDBGeometry
+    models: list[PDBModel] = []
+    quality: PDBQuality = Field(default_factory=PDBQuality)
+
+
+def read_pdb(path: Path | str) -> PDB:
+    """Read a pdb located at path."""
+    return PDB.model_validate(atomium.open(str(path), data_dict=True))
+
+
+def fetch_pdb(code: str) -> PDB:
+    """Fetch a pdb from the Protein Data Bank."""
+    return PDB.model_validate(atomium.fetch(code, data_dict=True))
+
+
+def pdb_from_string(pdb: str) -> PDB:
+    """Read a PDB from a string."""
+    return PDB.model_validate(pdb_dict_to_data_dict(pdb_string_to_pdb_dict(pdb)))

stjames/settings.py

@@ -5,7 +5,7 @@ from pydantic import computed_field, field_validator, model_validator
 from .base import Base, UniqueList
 from .basis_set import BasisSet
 from .correction import Correction
-from .method import METHODS_WITH_CORRECTION, PREPACKAGED_METHODS, Method
+from .method import CORRECTABLE_NNP_METHODS, METHODS_WITH_CORRECTION, PREPACKAGED_METHODS, Method
 from .mode import Mode
 from .opt_settings import OptimizationSettings
 from .scf_settings import SCFSettings
@@ -38,12 +38,14 @@ class Settings(Base):
     def level_of_theory(self) -> str:
         corrections = list(filter(lambda x: x not in (None, ""), self.corrections))
 
-        if self.method in PREPACKAGED_METHODS or self.basis_set is None:
+        if self.method in CORRECTABLE_NNP_METHODS:
+            method = self.method.value if not corrections else f"{self.method.value}-{'-'.join(c.value for c in corrections)}"
+        elif self.method in PREPACKAGED_METHODS or self.basis_set is None:
             method = self.method.value
-        elif self.method in METHODS_WITH_CORRECTION or len(corrections) == 0:
+        elif self.method in METHODS_WITH_CORRECTION or not corrections:
             method = f"{self.method.value}/{self.basis_set.name.lower()}"
         else:
-            method = f"{self.method.value}-{'-'.join([c.value for c in corrections])}/{self.basis_set.name.lower()}"
+            method = f"{self.method.value}-{'-'.join(c.value for c in corrections)}/{self.basis_set.name.lower()}"
 
         if self.solvent_settings is not None:
             method += f"/{self.solvent_settings.model.value}({self.solvent_settings.solvent.value})"

stjames/workflows/__init__.py

@@ -9,6 +9,7 @@ from .conformer_search import *
 from .descriptors import *
 from .electronic_properties import *
 from .fukui import *
+from .hydrogen_bond_basicity import *
 from .molecular_dynamics import *
 from .multistage_opt import *
 from .pka import *
@@ -27,6 +28,7 @@ WORKFLOW_NAME = Literal[
     "descriptors",
     "electronic_properties",
     "fukui",
+    "hydrogen_bond_basicity",
     "molecular_dynamics",
     "multistage_opt",
     "pka",
@@ -45,6 +47,7 @@ WORKFLOW_MAPPING: dict[str, Workflow] = {
     "descriptors": DescriptorsWorkflow,  # type: ignore [dict-item]
     "electronic_properties": ElectronicPropertiesWorkflow,  # type: ignore [dict-item]
     "fukui": FukuiIndexWorkflow,  # type: ignore [dict-item]
+    "hydrogen_bond_basicity": HydrogenBondBasicityWorkflow,  # type: ignore [dict-item]
     "molecular_dynamics": MolecularDynamicsWorkflow,  # type: ignore [dict-item]
     "multistage_opt": MultiStageOptWorkflow,  # type: ignore [dict-item]
     "pka": pKaWorkflow,  # type: ignore [dict-item]

stjames/workflows/conformer_search.py

@@ -9,6 +9,7 @@ from ..base import LowercaseStrEnum
 from ..constraint import Constraint
 from ..method import Method, XTBMethod
 from ..mode import Mode
+from ..task import Task
 from ..types import UUID
 from .multistage_opt import MultiStageOptMixin
 from .workflow import Workflow
@@ -322,6 +323,45 @@ class ConformerSearchMixin(ConformerGenMixin, MultiStageOptMixin):
         """Return a string representation of the ConformerSearch workflow."""
         return f"<{type(self).__name__} {self.conf_gen_mode.name} {self.mso_mode.name}>"
 
+    @model_validator(mode="after")
+    def deduplicate(self) -> Self:
+        """
+        Deduplicate optimizations between conf_gen and multistage_opt.
+
+        Also affects Manual Mode.
+        """
+        cgs = self.conf_gen_settings
+        msos = self.multistage_opt_settings
+
+        if self.transition_state or not msos.optimization_settings:
+            return self
+
+        first_opt = msos.optimization_settings[0]
+        if cgs.conf_opt_method != first_opt.method or "optimize" not in first_opt.tasks:
+            return self
+
+        first_opt.tasks.remove(Task.OPTIMIZE)
+        if msos.singlepoint_settings or len(msos.optimization_settings) > 1:
+            if (not first_opt.tasks) or first_opt.tasks == ["singlepoint"]:
+                msos.optimization_settings = msos.optimization_settings[1:]
+
+        return self
+
+    @model_validator(mode="after")
+    def remove_ts_constraints(self) -> Self:
+        """
+        Remove constraints from optimization if a TS.
+
+        Also affects Manual Mode.
+        """
+        msos = self.multistage_opt_settings
+        if msos.transition_state and msos.constraints:
+            msos.constraints = []
+            for opt_set in msos.optimization_settings:
+                opt_set.opt_settings.constraints = []
+
+        return self
+
 
 class ConformerSearchWorkflow(ConformerSearchMixin, Workflow):
     """

stjames/workflows/electronic_properties.py

@@ -1,4 +1,6 @@
-from pydantic import NonNegativeFloat, NonNegativeInt
+from typing import Annotated, Callable
+
+from pydantic import AfterValidator, NonNegativeFloat, NonNegativeInt
 
 from ..base import Base
 from ..settings import Settings
@@ -6,11 +8,22 @@ from ..types import UUID, FloatPerAtom, Matrix3x3, Vector3D
 from .workflow import Workflow
 
 
+def round_float(round_to: int) -> Callable[[float], float]:
+    """Return a function that rounds a float to a given number of decimal places."""
+
+    def inner_round(v: float) -> float:
+        return round(v, round_to)
+
+    return inner_round
+
+
 class PropertyCubePoint(Base):
-    x: float
-    y: float
-    z: float
-    val: float
+    """A point in a cube file, all values rounded to 6 decimal places."""
+
+    x: Annotated[float, AfterValidator(round_float(3))]
+    y: Annotated[float, AfterValidator(round_float(3))]
+    z: Annotated[float, AfterValidator(round_float(3))]
+    val: Annotated[float, AfterValidator(round_float(6))]
 
 
 class PropertyCube(Base):

stjames/workflows/hydrogen_bond_basicity.py

@@ -0,0 +1,21 @@
+from ..base import Base
+from ..types import UUID
+from .workflow import Workflow
+
+
+class HydrogenBondAcceptorSite(Base):
+    atom_idx: int  # zero-indexed
+    pkbhx: float
+    position: tuple[float, float, float]
+    name: str | None = None
+
+
+class HydrogenBondBasicityWorkflow(Workflow):
+    do_csearch: bool = True
+    do_optimization: bool = True
+
+    # UUID of optimization
+    optimization: UUID | None = None
+
+    # hydrogen-bond-acceptor sites
+    hba_sites: list[HydrogenBondAcceptorSite] = []  # noqa: RUF012

stjames/workflows/molecular_dynamics.py

@@ -1,6 +1,6 @@
 from typing import Self
 
-from pydantic import PositiveFloat, PositiveInt, model_validator
+from pydantic import PositiveFloat, PositiveInt, computed_field, model_validator
 
 from ..base import Base, LowercaseStrEnum
 from ..constraint import PairwiseHarmonicConstraint, SphericalHarmonicConstraint
@@ -29,7 +29,13 @@ class Frame(Base):
     pressure: float
     temperature: float
     volume: float
-    energy: float
+    potential_energy: float  # kcal/mol
+    kinetic_energy: float  # kcal/mol
+
+    @computed_field  # type: ignore[misc, prop-decorator, unused-ignore]
+    @property
+    def energy(self) -> float:
+        return self.potential_energy + self.kinetic_energy
 
 
 class MolecularDynamicsSettings(Base):

stjames/workflows/multistage_opt.py

@@ -331,3 +331,29 @@ def build_mso_settings(
         transition_state=transition_state,
         frequencies=frequencies,
     )
+
+
+def multi_stage_opt_settings_from_workflow(msow: MultiStageOptWorkflow) -> MultiStageOptSettings:
+    """
+    Helper function to convert a MultiStageOptWorkflow to MultiStageOptSettings.
+
+    :param msow: MultiStageOptWorkflow
+    :returns: MultiStageOptSettings
+
+    >>> from stjames.molecule import Atom, Molecule
+    >>> He = Molecule(charge=0, multiplicity=1, atoms=[Atom(atomic_number=2, position=[0, 0, 0])])
+    >>> msos = multi_stage_opt_settings_from_workflow(
+    ...     MultiStageOptWorkflow(initial_molecule=He, mode=Mode.RAPID, solvent="water")
+    ... )
+    >>> print(msos)
+    <MultiStageOptSettings RAPID>
+    >>> msos.level_of_theory
+    'r2scan_3c/cpcm(water)//gfn2_xtb'
+    >>> msos.solvent
+    <Solvent.WATER: 'water'>
+    >>> msos.xtb_preopt
+    False
+    """
+    data = dict(msow)
+    del data["calculations"]
+    return MultiStageOptSettings.construct(**data)

stjames/workflows/scan.py

@@ -23,7 +23,7 @@ class ScanSettings(Base):
     num: int
 
     def vals(self) -> NDArray[np.float64]:
-        return np.linspace(self.start, self.stop, self.num)
+        return np.linspace(self.start, self.stop, self.num)  # type: ignore [return-value, unused-ignore]
 
     class Config:
         from_attributes = True

{stjames-0.0.46.dist-info → stjames-0.0.48.dist-info}/METADATA

@@ -1,6 +1,6 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.2
 Name: stjames
-Version: 0.0.46
+Version: 0.0.48
 Summary: standardized JSON atom/molecule encoding scheme
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/stjames
@@ -8,6 +8,7 @@ Project-URL: Bug Tracker, https://github.com/rowansci/stjames/issues
 Requires-Python: >=3.11
 Description-Content-Type: text/markdown
 License-File: LICENSE
+Requires-Dist: atomium<2,>=1
 Requires-Dist: pydantic>=2.4
 Requires-Dist: numpy
 

{stjames-0.0.46.dist-info → stjames-0.0.48.dist-info}/RECORD

@@ -1,7 +1,7 @@
 stjames/__init__.py,sha256=LkWCylP4VeXyQL0iu5w6yeYK1UHjcUH55hwWXTy4mQQ,576
 stjames/_deprecated_solvent_settings.py,sha256=gj5j9p3zakIwSTK5_ndqBXJx--IzjZNxZ75z-wipLOo,450
 stjames/atom.py,sha256=w7q-x9xpBw4sJ1WGrWt65WAaStxhz-m7dugXCYEOpq4,2064
-stjames/base.py,sha256=9PvUjBeVSkmA3TaruaB0uvjFMbWYTGKXECISNGAj_AU,1201
+stjames/base.py,sha256=hroQjvC8G88UiK520i1TDqnOlgw_ihmzevQGTO5yeUY,1215
 stjames/basis_set.py,sha256=wI3M2q9uPf9jhKpAi4E2DrsyKzloDGLRjAlk7krdYgc,949
 stjames/calculation.py,sha256=O2LwwQ_cOLmDOGXTHA9J71YbUZXigUSbvbLA-fSVm3w,915
 stjames/constraint.py,sha256=B6oV0rYjmAWr8gpi5f03gRy_uuqjUURVDVwoez5Cfbg,2442
@@ -10,14 +10,15 @@ stjames/diis_settings.py,sha256=4m1EQQWBlpHhMnWopix8qOqJv7QCluvdnV9jSKJDFtE,552
 stjames/grid_settings.py,sha256=WrSNGc-8_f87YBZYt9Hh7RbhM4MweADoVzwBMcSqcsE,640
 stjames/int_settings.py,sha256=5HXp8opt5ZyY1UpmfaK7NVloWVLM5jkG0elEEqpVLUo,896
 stjames/message.py,sha256=Rq6QqmHZKecWxYH8fVyXmuoCCPZv8YinvgykSeorXSU,216
-stjames/method.py,sha256=a6QQff-0YsutkOTuOcGrdDW76x9ZexiNLdKzzoE1Vcw,1698
+stjames/method.py,sha256=dWlDoB5xxWqPg6pdQyEeLG7aPsg4cux9ckfaA6GVsD0,2280
 stjames/mode.py,sha256=xw46Cc7f3eTS8i35qECi-8DocAlANhayK3w4akD4HBU,496
 stjames/molecule.py,sha256=v8NikFHfwOahXSo4VKGSqeHKI2HIoRdNjGE0GkZgNS4,10554
 stjames/opt_settings.py,sha256=gxXGtjy9l-Q5Wen9eO6T6HHRCuS8rfOofdVQIJj0JcI,550
+stjames/pdb.py,sha256=goigN-UO72y-nnHmNF4HWp8K_ZYfJorg6TCqWpsNQIU,4519
 stjames/periodic_cell.py,sha256=JDCyynpamggTNi_HnTnnotRbeSMBfYc-srhD-IwUnrg,996
 stjames/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 stjames/scf_settings.py,sha256=WotVgVrayQ_8PUHP39zVtG7iLT9PV41lpzruttFACP8,2356
-stjames/settings.py,sha256=tfgEYns6WdsheQ6wpR6uyI8O4s2iTqyH7YWtNQ36k74,8666
+stjames/settings.py,sha256=LNTWHsEfH7Cb87K5BwvgGHBSBedESb7LBn6Dt-oEsV4,8863
 stjames/solvent.py,sha256=u037tmu-9oa21s-WEDZ7VC7nuNVjkqR2ML4JWjWSME4,1158
 stjames/status.py,sha256=wTKNcNxStoEHrxxgr_zTyN90NITa3rxMQZzOgrCifEw,332
 stjames/task.py,sha256=OLINRqe66o7t8arffilwmggrF_7TH0L79u6DhGruxV8,329
@@ -30,25 +31,26 @@ stjames/data/isotopes.json,sha256=5ba8QnLrHD_Ypv2xekv2cIRwYrX3MQ19-1FOFtt0RuU,83
 stjames/data/nist_isotopes.json,sha256=d5DNk1dX0iB1waEYIRR6JMHuA7AuYwSBEgBvb4EKyhM,14300
 stjames/data/read_nist_isotopes.py,sha256=y10FNjW43QpC45qib7VHsIghEwT7GG5rsNwHdc9osRI,3309
 stjames/data/symbol_element.json,sha256=vl_buFusTqBd-muYQtMLtTDLy2OtBI6KkBeqkaWRQrg,1186
-stjames/workflows/__init__.py,sha256=IRcfBNaFWVMmixQHjPKcBJkcUYWRnXNwrx2MUFNiQKM,1843
+stjames/workflows/__init__.py,sha256=XQ89vfQxqz2cWmwcOMp_GKZFQ-RDm8B1s8PqAeQTK3g,1999
 stjames/workflows/admet.py,sha256=V8noO0Eb7h2bDFSnj6Pxv4ILm0lGxyVRCi13hE0zmEQ,149
 stjames/workflows/basic_calculation.py,sha256=q48bpab7ZqmRTR4PsGC6bWkuxqkVdJRM8gysevTYXP0,212
 stjames/workflows/bde.py,sha256=iNrBiAUJA-VaAB-eFddApUO2xIc5PyPYXNtC2stQ_OU,9667
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 stjames/workflows/workflow.py,sha256=tIu5naADYgYS7kdW8quvGEWHWosBcrIdcD7L86v-uMQ,976
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{stjames-0.0.46.dist-info → stjames-0.0.48.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (75.6.0)
+Generator: setuptools (75.8.0)
 Root-Is-Purelib: true
 Tag: py3-none-any