mandos.model.pubchem_support.pubchem_models.AtcCode.parts() - Code Metrics - Inspection of "feat: much better entries and logging" - dmyersturnbull/mandos - Measure and Improve Code Quality continuously with Scrutinizer

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Push — main ( cdf0f7...3de8e8 )

by Douglas

created 2021-04-03 02:06 UTC

AtcCode.parts() A

↳ Parent: mandos.model.pubchem_support.pubchem_models

Complexity

Conditions

Size

Total Lines	5
Code Lines	5

Duplication

Lines	0
Ratio	0 %

Importance

Changes

Metric	Value
cc	1
eloc	5
nop	1
dl	0
loc	5
rs	10
c	0
b	0
f	0

from __future__ import annotations

import enum
import re
import typing
from dataclasses import dataclass
from datetime import date
from typing import Union, Optional, FrozenSet, Sequence, Mapping, Set

from pocketutils.core.dot_dict import NestedDotDict

from pocketutils.tools.string_tools import StringTools


from mandos.model import MandosResources, CleverEnum

from mandos.model.pubchem_support._nav_fns import Mapx

hazards = {
    d["code"]: d for d in NestedDotDict.read_toml(MandosResources.path("hazards.toml"))["signals"]
}


@dataclass(frozen=True, repr=True, eq=True, order=True)

class ComputedProperty:
    key: str
    value: Union[int, str, float, bool]
    unit: Optional[str]
    ref: str

    def req_is(self, type_) -> Union[int, str, float, bool]:

        if not isinstance(self.value, type_):
            raise TypeError(f"{self.key}->{self.value} has {type(self.value)}, not {type_}")
        return self.value

    @property
    def as_str(self) -> str:

        return f"{self.value} {self.unit}"


class Code(str):

    @property
    def type_name(self) -> str:

        return self.__class__.__name__.lower()

    @classmethod

    def of(cls, value: Union[str, int, float]):

        if isinstance(value, float):
            try:
                value = int(value)
                value = StringTools.strip_off_end(str(value).strip(), ".0")
            except ArithmeticError:
                value = str(value)
                value = StringTools.strip_off_end(str(value).strip(), ".0")
        value = str(value).strip()
        return cls(value)

    @classmethod

    def of_nullable(cls, value: Union[None, str, int, float]):

        if value is None:
            return None
        if isinstance(value, float):
            try:
                value = int(value)
                value = StringTools.strip_off_end(str(value).strip(), ".0")
            except ArithmeticError:
                value = str(value)
                value = StringTools.strip_off_end(str(value).strip(), ".0")
        value = str(value).strip()
        return cls(value)


class Codes:
    """
    These turn out to be extremely useful for documenting return types.
    For example, ``DrugbankInteraction`` might have a ``gene`` field,
    which can be described as a ``GenecardSymbol`` if known.
    """

    class ChemIdPlusOrganism(Code):
        """
        E.g. 'women', 'frog', 'infant', or 'domestic animals - goat/sheep'
        """

        @property
        def is_human(self) -> bool:

            return str(self) in {"women", "woman", "men", "man", "infant", "infants", "human"}

    class ChemIdPlusEffect(Code):
        """
        E.g. 'BEHAVIORAL: MUSCLE WEAKNESS'
        """

        @property
        def category(self) -> str:

            return self[: self.index(":")].strip()

        @property
        def subcategory(self) -> str:

            return self[self.index(":") + 1 :].strip()

    class EcNumber(Code):
        """
        e.g. 'EC:4.6.1.1'
        """

    class GeneId(Code):
        """
        GeneCard, UniProt gene name, etc.
        e.g. 'slc1a2'
        """

    class ClinicaltrialId(Code):
        """
        From clinicaltrials.gov
        """

    class GenericDiseaseCode(Code):
        """
        From clinicaltrials.gov; pure int
        """

    class GenecardSymbol(GeneId):

        """"""

    class UniprotId(GeneId):

        """"""

    class PubchemCompoundId(Code):
        """
        e.g. 2352
        """

        @property
        def value(self) -> int:

            return int(self)

    class AtcCode(Code):

        """"""

    class PubmedId(Code):

        """"""

    class Doi(Code):

        """"""

    class MeshCode(Code):

        """"""

    class PdbId(Code):

        """"""

    class MeshHeading(Code):

        """"""

    class MeshSubheading(Code):

        """"""

    class DrugbankCompoundId(Code):

        """"""

    class DeaSchedule(Code):

        """"""

        @property
        def value(self) -> int:

            return Mapx.roman_to_arabic(1, 5)(self)

    class GhsCode(Code):

        """"""


class CoOccurrenceType(enum.Enum):

    chemical = enum.auto()
    gene = enum.auto()
    disease = enum.auto()

    @property
    def x_name(self) -> str:

        if self is CoOccurrenceType.chemical:

            return "ChemicalNeighbor"
        elif self is CoOccurrenceType.gene:
            return "ChemicalGeneSymbolNeighbor"
        elif self is CoOccurrenceType.disease:
            return "ChemicalDiseaseNeighbor"
        raise AssertionError(f"{self} not found!!")

    @property
    def id_name(self) -> str:

        if self is CoOccurrenceType.chemical:

            return "CID"
        elif self is CoOccurrenceType.gene:
            return "GeneSymbol"
        elif self is CoOccurrenceType.disease:
            return "MeSH"
        raise AssertionError(f"{self} not found!!")


class ClinicalTrialsGovUtils:

    @classmethod
    def phase_map(cls) -> Mapping[str, float]:

        return {
            "Phase 4": 4,
            "Phase 3": 3,
            "Phase 2": 2,
            "Phase 1": 1,
            "Early Phase 1": 1.5,
            "Phase 2/Phase 3": 2.5,
            "N/A": 0,
        }

    @classmethod
    def known_phases(cls) -> Set[float]:

        return set(cls.phase_map().values())

    @classmethod
    def resolve_statuses(cls, st: str) -> Set[str]:

        found = set()
        for s in st.lower().split(","):

            s = s.strip()

            if s == "@all":
                match = cls.known_statuses()
            elif s in cls.known_statuses():
                match = {s}
            else:
                raise ValueError(s)
            for m in match:

                found.add(m)
        return found

    @classmethod
    def known_statuses(cls) -> Set[str]:

        return set(cls.status_map().values())

    @classmethod
    def status_map(cls) -> Mapping[str, str]:

        return {
            "Unknown status": "unknown",
            "Completed": "completed",
            "Terminated": "stopped",
            "Suspended": "stopped",
            "Withdrawn": "stopped",
            "Not yet recruiting": "ongoing",
            "Recruiting": "ongoing",
            "Enrolling by invitation": "ongoing",
            "Active, not recruiting": "ongoing",
            "Available": "completed",
            "No longer available": "completed",
            "Temporarily not available": "completed",
            "Approved for marketing": "completed",
        }


@dataclass(frozen=True, repr=True, eq=True)

class ClinicalTrial:
    ctid: Codes.ClinicaltrialId
    title: str
    conditions: FrozenSet[str]
    disease_ids: FrozenSet[Codes.ClinicaltrialId]
    phase: str
    status: str
    interventions: FrozenSet[str]
    cids: FrozenSet[Codes.PubchemCompoundId]
    source: str

    @property
    def mapped_phase(self) -> float:

        return ClinicalTrialsGovUtils.phase_map().get(self.phase, 0)

    @property
    def mapped_status(self) -> str:

        return ClinicalTrialsGovUtils.status_map().get(self.status, "unknown")


@dataclass(frozen=True, repr=True, eq=True)

class GhsCode:
    code: Codes.GhsCode
    statement: str
    clazz: str
    categories: FrozenSet[str]
    signal_word: str
    type: str

    @classmethod
    def find(cls, code: str) -> GhsCode:

        h = hazards[code]

        cats = h["category"]  # TODO

        return GhsCode(
            code=Codes.GhsCode(code),
            statement=h["statement"],
            clazz=h["class"],
            categories=cats,
            signal_word=h["signal_word"],
            type=h["type"],
        )

    @property
    def level(self) -> int:

        return int(self.code[1])


@dataclass(frozen=True, repr=True, eq=True)

class AcuteEffectEntry:
    gid: int
    effects: FrozenSet[Codes.ChemIdPlusEffect]
    organism: Codes.ChemIdPlusOrganism
    test_type: str
    route: str
    dose: str

    @property
    def mg_per_kg(self) -> float:

        # TODO: Could it ever start with just a dot; e.g. '.175'?

        match = re.compile(r".+?\((\d+(?:.\d+)?) *mg/kg\)").fullmatch(self.dose)
        if match is None:
            raise ValueError(f"Dose {self.dose} (accute effect {self.gid}) could not be parsed")
        return float(match.group(1))


@dataclass(frozen=True, repr=True, eq=True)

class AssociatedDisorder:
    gid: str
    disease_id: Codes.MeshCode
    disease_name: str
    evidence_type: str
    n_refs: int


@dataclass(frozen=True, repr=True, eq=True)

class AtcCode:
    code: str
    name: str

    @property
    def level(self) -> int:

        return len(self.parts)

    @property
    def parts(self) -> Sequence[str]:

        pat = re.compile(r"([A-Z])([0-9]{2})?([A-Z])?([A-Z])?([A-Z])?")
        match = pat.fullmatch(self.code)
        return [g for g in match.groups() if g is not None]


class DrugbankTargetType(enum.Enum):

    target = enum.auto()
    carrier = enum.auto()
    transporter = enum.auto()
    enzyme = enum.auto()


@dataclass(frozen=True, repr=True, eq=True)

class DrugbankInteraction:
    record_id: Optional[str]
    gene_symbol: Codes.GeneId
    action: Optional[str]
    protein_id: str
    target_type: DrugbankTargetType
    target_name: str
    general_function: Optional[str]
    specific_function: str
    pmids: FrozenSet[Codes.PubmedId]
    dois: FrozenSet[Codes.Doi]


@dataclass(frozen=True, repr=True, eq=True)

class DrugbankDdi:
    drug_drugbank_id: Codes.DrugbankCompoundId
    drug_pubchem_id: Codes.PubchemCompoundId
    drug_drugbank_name: str
    description: str


class Activity(enum.Enum):

    active = enum.auto()
    inactive = enum.auto()
    inconclusive = enum.auto()
    unspecified = enum.auto()


@dataclass(frozen=True, repr=True, eq=True)

class Bioactivity:
    assay_id: int
    assay_type: str
    assay_ref: str
    assay_name: str
    assay_made_date: date
    gene_id: Optional[Codes.GeneId]
    tax_id: Optional[int]
    pmid: Optional[Codes.PubmedId]
    activity: Optional[Activity]
    activity_name: Optional[str]
    activity_value: Optional[float]
    target_name: Optional[str]
    compound_name: str

    @property
    def target_name_abbrev_species(self) -> typing.Tuple[Optional[str], str, Optional[str]]:

        # first, look for a species name in parentheses
        # We use \)+ at the end instead of \)
        # this is to catch cases where we have parentheses inside of the species name
        # this happens with some virus strains, for e.g.
        match = re.compile(r"^(.+?)\(([^)]+)\)+$").fullmatch(self.target_name)
        if match is None:
            species = None
            target = self.target_name
        else:
            species = match.group(2)
            target = match.group(1)
        # now try to get an abbreviation
        match = re.compile(r"^ *([^ ]+) +- +(.+)$").fullmatch(target)
        if match is None:
            abbrev = None
            name = target
        else:
            abbrev = match.group(1)
            name = match.group(2)
        return name, abbrev, species


@dataclass(frozen=True, repr=True, eq=True)

class PdbEntry:
    pdbid: Codes.PdbId
    title: str
    exp_method: str
    resolution: float
    lig_names: FrozenSet[str]
    cids: FrozenSet[Codes.PubchemCompoundId]
    uniprot_ids: FrozenSet[Codes.UniprotId]
    pmids: FrozenSet[Codes.PubmedId]
    dois: FrozenSet[Codes.Doi]


@dataclass(frozen=True, repr=True, eq=True)

class PubmedEntry:
    pmid: Codes.PubmedId
    article_type: str
    pmidsrcs: FrozenSet[str]
    mesh_headings: FrozenSet[Codes.MeshHeading]
    mesh_subheadings: FrozenSet[Codes.MeshSubheading]
    mesh_codes: FrozenSet[Codes.MeshCode]
    cids: FrozenSet[Codes.PubchemCompoundId]
    article_title: str
    article_abstract: str
    journal_name: str
    pub_date: date


@dataclass(frozen=True, repr=True, eq=True)

class Publication:
    pmid: Codes.PubmedId
    pub_date: date
    is_review: bool
    title: str
    journal: str
    relevance_score: int


@dataclass(frozen=True, repr=True, eq=True)

class CoOccurrence:
    neighbor_id: str
    neighbor_name: str
    kind: CoOccurrenceType
    # https://pubchemdocs.ncbi.nlm.nih.gov/knowledge-panels
    article_count: int
    query_article_count: int
    neighbor_article_count: int
    score: int
    publications: FrozenSet[Publication]

    def strip_pubs(self) -> CoOccurrence:

        return CoOccurrence(
            self.neighbor_id,
            self.neighbor_name,
            self.kind,
            self.article_count,
            self.query_article_count,
            self.neighbor_article_count,
            self.score,
            frozenset({}),
        )


@dataclass(frozen=True, repr=True, eq=True)

class DrugGeneInteraction:
    """"""

    gene_name: Optional[str]
    gene_claim_id: Optional[str]
    source: str
    interactions: FrozenSet[str]
    pmids: FrozenSet[Codes.PubmedId]
    dois: FrozenSet[Codes.Doi]


@dataclass(frozen=True, repr=True, eq=True)

class ChemicalGeneInteraction:
    gene_name: Optional[Codes.GeneId]
    interactions: FrozenSet[str]
    tax_id: Optional[int]
    tax_name: Optional[str]
    pmids: FrozenSet[Codes.PubmedId]


__all__ = [
    "ClinicalTrial",
    "AssociatedDisorder",
    "AtcCode",
    "DrugbankInteraction",
    "DrugbankDdi",
    "Bioactivity",
    "Activity",
    "DrugGeneInteraction",
    "ChemicalGeneInteraction",
    "GhsCode",
    "PubmedEntry",
    "Code",
    "Codes",
    "CoOccurrenceType",
    "CoOccurrence",
    "Publication",
    "ComputedProperty",
    "ClinicalTrialsGovUtils",
    "AcuteEffectEntry",
    "DrugbankTargetType",
]


1			from __future__ import annotations
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing module docstring Loading history...
2			import enum
3			import re
4			import typing
5			from dataclasses import dataclass
6			from datetime import date
7			from typing import Union, Optional, FrozenSet, Sequence, Mapping, Set
8
9			from pocketutils.core.dot_dict import NestedDotDict
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Unable to import 'pocketutils.core.dot_dict' Loading history...
10			from pocketutils.tools.string_tools import StringTools
			0 ignored issues – show introduced 2021-04-03 02:07 UTC by Report Bug Copy Issue Report Unable to import 'pocketutils.tools.string_tools' Loading history...
11
12			from mandos.model import MandosResources, CleverEnum
			0 ignored issues – show Unused Code introduced 2021-03-21 02:08 UTC by Report Bug Copy Issue Report Unused CleverEnum imported from mandos.model Loading history...
13			from mandos.model.pubchem_support._nav_fns import Mapx
14
15			hazards = {
16			d["code"]: d for d in NestedDotDict.read_toml(MandosResources.path("hazards.toml"))["signals"]
17			}
18
19
20			@dataclass(frozen=True, repr=True, eq=True, order=True)
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing class docstring Loading history...
21			class ComputedProperty:
22			key: str
23			value: Union[int, str, float, bool]
24			unit: Optional[str]
25			ref: str
26
27			def req_is(self, type_) -> Union[int, str, float, bool]:
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing function or method docstring Loading history...
28			if not isinstance(self.value, type_):
29			raise TypeError(f"{self.key}->{self.value} has {type(self.value)}, not {type_}")
30			return self.value
31
32			@property
33			def as_str(self) -> str:
			0 ignored issues – show introduced 2021-01-25 23:06 UTC by Report Bug Copy Issue Report Missing function or method docstring Loading history...

dmyersturnbull / mandos

Push — main ( cdf0f7...3de8e8 )

AtcCode.parts() A

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