pertpy 0.6.0__py3-none-any.whl → 0.7.0__py3-none-any.whl

pertpy/metadata/_look_up.py

@@ -0,0 +1,582 @@
+from __future__ import annotations
+
+from collections import namedtuple
+from typing import TYPE_CHECKING, Literal
+
+if TYPE_CHECKING:
+    from collections.abc import Sequence
+
+from rich import print
+
+if TYPE_CHECKING:
+    import pandas as pd
+
+import pubchempy as pcp
+
+
+class LookUp:
+    """Generate LookUp object for different type of metadata."""
+
+    def __init__(
+        self,
+        type: Literal["cell_line", "moa", "compound", "drug"] = "cell_line",
+        transfer_metadata: Sequence[pd.DataFrame] | None = None,
+    ):
+        """
+        Args:
+            type: Metadata type for annotation. One of 'cell_line', 'compound', 'moa' or 'drug. Defaults to cell_line.
+            transfer_metadata: DataFrames used to generate Lookup object.
+                               This is currently set to None for CompoundMetaData which does not require any dataframes for transfer.
+                               Defaults to 'cell_line'.
+        """
+        self.type = type
+        if type == "cell_line":
+            self.cell_line_meta = transfer_metadata[0]
+            self.cl_cancer_project_meta = transfer_metadata[1]
+            self.gene_annotation = transfer_metadata[2]
+            self.bulk_rna_sanger = transfer_metadata[3]
+            self.bulk_rna_broad = transfer_metadata[4]
+            self.proteomics_data = transfer_metadata[5]
+            self.drug_response_gdsc1 = transfer_metadata[6]
+            self.drug_response_gdsc2 = transfer_metadata[7]
+
+            cell_line_annotation = namedtuple(
+                "cell_line_annotation",
+                "n_cell_line cell_line n_metadata metadata reference_id reference_id_example default_parameter",
+            )
+            cell_lines = namedtuple("cell_lines", ["depmap", "cancerrxgene"])
+
+            depmap_data = {
+                "n_cell_line": len(self.cell_line_meta.index),
+                "n_metadata": len(self.cell_line_meta.columns),
+                "cell_line": self.cell_line_meta.ModelID.values,
+                "metadata": self.cell_line_meta.columns.values,
+                "reference_id": [
+                    "ModelID",
+                    "CellLineName",
+                    "StrippedCellLineName",
+                    "CCLE_Name",
+                ],
+                "reference_id_example": "ModelID: ACH-000001 | CellLineName: NIH:OVCAR-3 | StrippedCellLineName: NIHOVCAR3 | CCLEName: NIHOVCAR3_OVARY",
+                "default_parameter": {
+                    "cell_line_source": "DepMap",
+                    "query_id": "DepMap_ID",
+                    "reference_id": "ModelID",
+                    "fetch": "None",
+                },
+            }
+            depmap_record = cell_line_annotation(**depmap_data)
+
+            cancerrxgene_data = {
+                "n_cell_line": len(self.cl_cancer_project_meta.index),
+                "n_metadata": len(self.cl_cancer_project_meta.columns),
+                "cell_line": self.cl_cancer_project_meta.stripped_cell_line_name.values,
+                "metadata": self.cl_cancer_project_meta.columns.values,
+                "reference_id": [
+                    "cell_line_name",
+                    "stripped_cell_line_name",
+                    "Model ID",
+                    "COSMIC ID",
+                ],
+                "reference_id_example": "cell_line_name: SNU-283 | stripped_cell_line_name: SNU283 | Model ID: SIDM00215 | COSMIC ID: 1659929",
+                "default_parameter": {
+                    "query_id": "stripped_cell_line_name",
+                    "reference_id": "stripped_cell_line_name",
+                    "fetch": "None",
+                },
+            }
+            cancerrxgene_record = cell_line_annotation(**cancerrxgene_data)
+            self.cell_lines = cell_lines(depmap_record, cancerrxgene_record)
+
+            bulk_rna_annotation = namedtuple(
+                "bulk_rna_annotation",
+                "n_cell_line cell_line n_gene gene reference_id reference_id_example default_parameter",
+            )
+            bulk_rna_expression = namedtuple("bulk_rna_expression", ["broad", "sanger"])
+
+            broad_data = {
+                "n_cell_line": len(self.bulk_rna_broad.index),
+                "n_gene": len(self.bulk_rna_broad.columns),
+                "cell_line": self.bulk_rna_broad.index.values,
+                "gene": self.bulk_rna_broad.columns.values,
+                "reference_id": "DepMap_ID",
+                "reference_id_example": "DepMap_ID: ACH-001113",
+                "default_parameter": {
+                    "query_id": "DepMap_ID",
+                    "cell_line_source": "broad",
+                },
+            }
+            broad_record = bulk_rna_annotation(**broad_data)
+
+            sanger_data = {
+                "n_cell_line": len(self.bulk_rna_sanger.index),
+                "n_gene": len(self.bulk_rna_sanger.columns),
+                "cell_line": self.bulk_rna_sanger.index.values,
+                "gene": self.bulk_rna_sanger.columns.values,
+                "reference_id": "model_name",
+                "reference_id_example": "model_name: MEC-1",
+                "default_parameter": {
+                    "query_id": "cell_line_name",
+                    "cell_line_source": "sanger",
+                },
+            }
+            sanger_record = bulk_rna_annotation(**sanger_data)
+            self.bulk_rna = bulk_rna_expression(broad_record, sanger_record)
+
+            proteomics = namedtuple(
+                "proteomics",
+                "n_cell_line cell_line n_protein protein metadata reference_id reference_id_example default_parameter",
+            )
+            proteomics_data = {
+                "n_cell_line": len(self.proteomics_data["model_name"].unique()),
+                "n_protein": len(self.proteomics_data.uniprot_id.unique()),
+                "cell_line": self.proteomics_data["model_name"].unique(),
+                "protein": self.proteomics_data.uniprot_id.unique(),
+                "metadata": self.proteomics_data.columns.values,
+                "reference_id": ["model_id", "model_name"],
+                "reference_id_example": "model_id: SIDM00483 | model_name: SK-GT-4",
+                "default_parameter": {
+                    "query_id": "cell_line_name",
+                    "reference_id": "model_name",
+                    "bulk_rna_information": "read_count",
+                    "protein_information": "protein_intensity",
+                    "protein_id": "uniprot_id",
+                },
+            }
+            self.proteomics = proteomics(**proteomics_data)
+
+            drug_response_annotation = namedtuple(
+                "drug_response_annotation",
+                "n_cell_line cell_line n_drug drug_name metadata reference_id reference_id_example default_parameter",
+            )
+            drug_response = namedtuple("drug_response", ["gdsc1", "gdsc2"])
+
+            gdsc1_data = {
+                "n_cell_line": len(self.drug_response_gdsc1["cell_line_name"].unique()),
+                "n_drug": len(self.drug_response_gdsc1.drug_name.unique()),
+                "cell_line": self.drug_response_gdsc1.cell_line_name.unique(),
+                "drug_name": self.drug_response_gdsc1.drug_name.unique(),
+                "metadata": self.drug_response_gdsc1.columns.values,
+                "reference_id": ["cell_line_name", "sanger_model_id", "cosmic_id"],
+                "reference_id_example": "cell_line_name: ES5 | sanger_model_id: SIDM00263 | cosmic_id: 684057",
+                "default_parameter": {
+                    "gdsc_dataset": "1",
+                    "query_id": "cell_line_name",
+                    "reference_id": "cell_line_name",
+                    "query_perturbation": "perturbation",
+                    "reference_perturbation": "drug_name",
+                },
+            }
+            gdsc1_dict = drug_response_annotation(**gdsc1_data)
+
+            gdsc2_data = {
+                "n_cell_line": len(self.drug_response_gdsc2["cell_line_name"].unique()),
+                "n_drug": len(self.drug_response_gdsc2.drug_name.unique()),
+                "cell_line": self.drug_response_gdsc2.cell_line_name.unique(),
+                "drug_name": self.drug_response_gdsc2.drug_name.unique(),
+                "metadata": self.drug_response_gdsc2.columns.values,
+                "reference_id": ["cell_line_name", "sanger_model_id", "cosmic_id"],
+                "reference_id_example": "cell_line_name: PFSK-1 | sanger_model_id: SIDM01132 | cosmic_id: 683667",
+                "default_parameter": {
+                    "gdsc_dataset": "1",
+                    "query_id": "cell_line_name",
+                    "reference_id": "cell_line_name",
+                    "query_perturbation": "perturbation",
+                    "reference_perturbation": "drug_name",
+                },
+            }
+            gdsc2_dict = drug_response_annotation(**gdsc2_data)
+
+            self.drug_response = drug_response(gdsc1_dict, gdsc2_dict)
+
+        elif type == "moa":
+            self.moa_meta = transfer_metadata[0]
+            moa_annotation = namedtuple(
+                "moa_annotation",
+                "n_pert n_moa query_id query_id_example target_example default_parameter",
+            )
+            moa_data = {
+                "n_pert": len(self.moa_meta.pert_iname.unique()),
+                "n_moa": len(self.moa_meta.moa.unique()),
+                "query_id": "pert_iname",
+                "query_id_example": [
+                    "(R)-(-)-apomorphine",
+                    "9-aminocamptothecin",
+                    "A-803467",
+                ],
+                "target_example": [
+                    "ADRA2A|ADRA2B|ADRA2C|CALY|DRD1|DRD2|DRD3|DRD4|DRD5|HTR1A|HTR1B|HTR1D|HTR2A|HTR2B|HTR2C|HTR5A",
+                    "SCN10A",
+                    "TOP1",
+                ],
+                "default_parameter": {
+                    "query_id": "pert_iname",
+                    "target": None,
+                },
+            }
+            self.moa = moa_annotation(**moa_data)
+
+        elif type == "compound":
+            compound_annotation = namedtuple("compound_annotation", "query_id query_id_example default_parameter")
+            compound_data = {
+                "query_id_type": ["name", "cid"],
+                "query_id_example": "name: ACH-000016 | cid: SLR 21",
+                "default_parameter": {
+                    "query_id": "perturbation",
+                    "query_id_type": "name",
+                },
+            }
+            self.compound = compound_annotation(**compound_data)
+
+        elif type == "drug":
+            self.chembl = transfer_metadata[0]
+            self.dgidb = transfer_metadata[1]
+            self.pharmgkb = transfer_metadata[2]
+
+            drug_annotation = namedtuple(
+                "drug_annotation",
+                "n_compound compound_example n_target target_example n_disease disease_example",
+            )
+            drugs = namedtuple("drugs", ["chembl", "dgidb", "pharmgkb"])
+
+            dgidb_data = {
+                "n_compound": len(self.dgidb.drug_claim_name.unique()),
+                "n_target": len(self.dgidb.gene_claim_name.unique()),
+                "compound_example": self.dgidb.drug_claim_name.values[0:5],
+                "target_example": self.dgidb.gene_claim_name.unique()[0:5],
+                "n_disease": 0,
+                "disease_example": "",
+            }
+            dgidb_record = drug_annotation(**dgidb_data)
+
+            chembl_targets = list(
+                {t for target in self.chembl.targets.tolist() for t in target}
+            )  # flatten the target column and remove duplicates
+            chembl_data = {
+                "n_compound": len(self.chembl.compounds),
+                "n_target": len(chembl_targets),
+                "compound_example": self.chembl.compounds.values[0:5],
+                "target_example": chembl_targets[0:5],
+                "n_disease": 0,
+                "disease_example": "",
+            }
+            chembl_record = drug_annotation(**chembl_data)
+
+            pharmgkb_data = {
+                "n_compound": len(self.pharmgkb[self.pharmgkb.Type == "Chemical"]["Compound|Disease"].unique()),
+                "n_target": len(self.pharmgkb.Gene.unique()),
+                "compound_example": self.pharmgkb[self.pharmgkb.Type == "Chemical"]["Compound|Disease"].unique()[0:5],
+                "target_example": self.pharmgkb.Gene.unique()[0:5],
+                "n_disease": len(self.pharmgkb[self.pharmgkb.Type == "Disease"]["Compound|Disease"].unique()),
+                "disease_example": self.pharmgkb[self.pharmgkb.Type == "Disease"]["Compound|Disease"].unique()[0:5],
+            }
+            pharmgkb_record = drug_annotation(**pharmgkb_data)
+            self.drugs = drugs(chembl_record, dgidb_record, pharmgkb_record)
+
+        else:
+            raise NotImplementedError
+
+    def available_cell_lines(
+        self,
+        cell_line_source: Literal["DepMap", "Cancerrxgene"] = "DepMap",
+        reference_id: str = "ModelID",
+        query_id_list: Sequence[str] | None = None,
+    ) -> None:
+        """A brief summary of cell line metadata.
+
+        Args:
+            cell_line_source: the source of cell line annotation, DepMap or Cancerrxgene. Defaults to "DepMap".
+            reference_id: The type of cell line identifier in the meta data, e.g. ModelID, CellLineName	or StrippedCellLineName.
+                If fetch cell line metadata from Cancerrxgene, it is recommended to choose
+                "stripped_cell_line_name". Defaults to "ModelID".
+            query_id_list: Unique cell line identifiers to test the number of matched ids present in the
+                metadata. If set to None, the query of metadata identifiers will be disabled. Defaults to None.
+        """
+        if self.type != "cell_line":
+            raise ValueError("This is not a LookUp object specifically for CellLineMetaData!")
+
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+            if cell_line_source == "DepMap":
+                if reference_id not in self.cell_line_meta.columns:
+                    raise ValueError(
+                        f"The specified `reference_id` {reference_id} is not available in the DepMap cell line annotation data. "
+                    )
+                not_matched_identifiers = list(set(query_id_list) - set(self.cell_line_meta[reference_id]))
+            else:
+                if reference_id == "ModelID":
+                    reference_id = "stripped_cell_line_name"
+                if reference_id not in self.cl_cancer_project_meta.columns:
+                    raise ValueError(
+                        f"The specified `reference_id` {reference_id} is not available "
+                        f"in the cell line annotation from the project Genomics of Drug Sensitivity in Cancer. "
+                    )
+                not_matched_identifiers = list(set(query_id_list) - set(self.cl_cancer_project_meta[reference_id]))
+
+            print(f"{len(not_matched_identifiers)} cell lines are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} cell lines are found! ")
+
+    def available_bulk_rna(
+        self,
+        cell_line_source: Literal["broad", "sanger"] = "sanger",
+        query_id_list: Sequence[str] | None = None,
+    ) -> None:
+        """A brief summary of bulk RNA expression data.
+
+        Args:
+            cell_line_source: the source of RNA-seq data, broad or sanger. Defaults to "sanger".
+            query_id_list: Unique cell line identifiers to test the number of matched ids present in the
+                metadata. If set to None, the query of metadata identifiers will be disabled. Defaults to None.
+        """
+        if self.type != "cell_line":
+            raise ValueError("This is not a LookUp object specific for CellLineMetaData!")
+
+        if cell_line_source == "broad":
+            bulk_rna = self.bulk_rna_broad
+        else:
+            bulk_rna = self.bulk_rna_sanger
+
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+            not_matched_identifiers = list(set(query_id_list) - set(bulk_rna.index))
+
+            print(f"{len(not_matched_identifiers)} cell lines are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} cell lines are found! ")
+
+    def available_protein_expression(
+        self,
+        reference_id: Literal["model_name", "model_id"] = "model_name",
+        query_id_list: Sequence[str] | None = None,
+    ) -> None:
+        """A brief summary of protein expression data.
+
+        Args:
+            reference_id: The type of cell line identifier in the meta data, model_name or model_id.
+                Defaults to "model_name".
+            query_id_list: Unique cell line identifiers to test the number of matched ids present in the
+                metadata. If set to None, the query of metadata identifiers will be disabled. Defaults to None.
+        """
+        if self.type != "cell_line":
+            raise ValueError("This is not a LookUp object specific for CellLineMetaData!")
+
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+
+            if reference_id not in self.proteomics_data.columns:
+                raise ValueError(
+                    f"The specified `reference_id` {reference_id} is not available in the proteomics data. "
+                )
+            not_matched_identifiers = list(set(query_id_list) - set(self.proteomics_data[reference_id]))
+            print(f"[bold blue]{len(not_matched_identifiers)} cell lines are not found in the metadata.")
+            print(f"[bold yellow]{identifier_num_all - len(not_matched_identifiers)} cell lines are found! ")
+
+    def available_drug_response(
+        self,
+        gdsc_dataset: Literal[1, 2] = 1,
+        reference_id: Literal["cell_line_name", "sanger_model_id", "cosmic_id"] = "cell_line_name",
+        query_id_list: Sequence[str] | None = None,
+        reference_perturbation: Literal["drug_name", "drug_id"] = "drug_name",
+        query_perturbation_list: Sequence[str] | None = None,
+    ) -> None:
+        """A brief summary of drug response data.
+
+        Args:
+            gdsc_dataset: The GDSC dataset, 1 or 2. Defaults to 1.
+                          The GDSC1 dataset updates previous releases with additional drug screening data from the Wellcome Sanger Institute and Massachusetts General Hospital.
+                          It covers 970 Cell lines and 403 Compounds with 333292 IC50s.
+                          GDSC2 is new and has 243,466 IC50 results from the latest screening at the Wellcome Sanger Institute using improved experimental procedures.
+            reference_id: The type of cell line identifier in the meta data, cell_line_name, sanger_model_id or cosmic_id.
+                          Defaults to 'cell_line_name'.
+            query_id_list: Unique cell line identifiers to test the number of matched ids present in the metadata.
+                           If set to None, the query of metadata identifiers will be disabled.
+                           Defaults to None.
+            reference_perturbation: The perturbation information in the meta data, drug_name or drug_id.
+                                    Defaults to 'drug_name'.
+            query_perturbation_list: Unique perturbation types to test the number of matched ones present in the metadata.
+                                     If set to None, the query of perturbation types will be disabled.
+                                     Defaults to None.
+        """
+        if self.type != "cell_line":
+            raise ValueError("This is not a LookUp object specific for CellLineMetaData!")
+        if gdsc_dataset == 1:
+            gdsc_data = self.drug_response_gdsc1
+        else:
+            gdsc_data = self.drug_response_gdsc2
+
+        if query_id_list is not None:
+            if reference_id not in gdsc_data.columns:
+                raise ValueError(
+                    f"The specified `reference_id` {reference_id} is not available in the GDSC drug response data. "
+                )
+            identifier_num_all = len(query_id_list)
+            not_matched_identifiers = list(set(query_id_list) - set(gdsc_data[reference_id]))
+            print(f"{len(not_matched_identifiers)} cell lines are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} cell lines are found! ")
+
+        if query_perturbation_list is not None:
+            if reference_perturbation not in gdsc_data.columns:
+                raise ValueError(
+                    f"The specified `reference_perturbation` {reference_perturbation} is not available in the GDSC drug response data. "
+                )
+            identifier_num_all = len(query_perturbation_list)
+            not_matched_identifiers = list(set(query_perturbation_list) - set(gdsc_data[reference_perturbation]))
+            print(f"{len(not_matched_identifiers)} perturbation types are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} perturbation types are found! ")
+
+    def available_genes_annotation(
+        self,
+        reference_id: Literal["gene_id", "ensembl_gene_id", "hgnc_id", "hgnc_symbol"] = "ensembl_gene_id",
+        query_id_list: Sequence[str] | None = None,
+    ) -> None:
+        """A brief summary of gene annotation metadata
+
+        Args:
+            reference_id: The type of gene identifier in the meta data, gene_id, ensembl_gene_id, hgnc_id, hgnc_symbol.
+                          Defaults to "ensembl_gene_id".
+            query_id_list: Unique gene identifiers to test the number of matched ids present in the metadata.
+                           Defaults to None.
+        """
+        if self.type != "cell_line":
+            raise ValueError("This is not a LookUp object specific for CellLineMetaData!")
+
+        print("To summarize: in the DepMap_Sanger gene annotation file, you can find: ")
+        print(f"{len(self.gene_annotation.index)} driver genes")
+        print(
+            f"{len(self.gene_annotation.columns)} meta data including: ",
+            *list(self.gene_annotation.columns.values),
+            sep="\n- ",
+        )
+        print("Overview of gene annotation: ")
+        print(self.gene_annotation.head().to_string())
+        """
+        #not implemented yet
+        print("Default parameters to annotate gene annotation: ")
+        default_param = {
+            "query_id": "ensembl_gene_id",
+        }
+        print("\n".join(f"- {k}: {v}" for k, v in default_param.items()))
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+            not_matched_identifiers = list(set(query_id_list) - set(self.gene_annotation[reference_id]))
+            print(f"{len(not_matched_identifiers)} genes are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} genes are found! ")
+        """
+
+    def available_moa(
+        self,
+        query_id_list: Sequence[str] | None = None,
+        target_list: Sequence[str] | None = None,
+    ) -> None:
+        """A brief summary of MoA annotation.
+
+        Args:
+            query_id_list: Unique perturbagens to test the number of matched ones present in the metadata.
+                           If set to None, the query of metadata perturbagens will be disabled.
+                           Defaults to None.
+            target_list: Unique molecular targets to test the number of matched ones present in the metadata.
+                         If set to None, the comparison of molecular targets in the query of metadata perturbagens will be disabled.
+                         Defaults to None.
+        """
+        if self.type != "moa":
+            raise ValueError("This is not a LookUp object specific for MoaMetaData!")
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+            not_matched_identifiers = list(set(query_id_list) - set(self.moa_meta.pert_iname))
+            print(f"{len(not_matched_identifiers)} perturbagens are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} perturbagens are found! ")
+
+        if target_list is not None:
+            targets = self.moa_meta.target.astype(str).apply(lambda x: x.split("|"))
+            all_targets = [t for tl in targets for t in tl]
+            identifier_num_all = len(target_list)
+            not_matched_identifiers = list(set(target_list) - set(all_targets))
+            print(f"{len(not_matched_identifiers)} molecular targets are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} molecular targets are found! ")
+
+    def available_compounds(
+        self,
+        query_id_list: Sequence[str] | None = None,
+        query_id_type: Literal["name", "cid"] = "name",
+    ) -> None:
+        """A brief summary of compound annotation.
+
+        Args:
+            query_id_list: Unique compounds to test the number of matched ones present in the metadata.
+                        If set to None, query of compound identifiers will be disabled.
+                        Defaults to None.
+            query_id_type: The type of compound identifiers, name or cid. Defaults to 'name'.
+        """
+        if self.type != "compound":
+            raise ValueError("This is not a LookUp object specific for CompoundData!")
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+            not_matched_identifiers = []
+
+            for compound in query_id_list:
+                if query_id_type == "name":
+                    cids = pcp.get_compounds(compound, "name")
+                    if len(cids) == 0:  # search did not work
+                        not_matched_identifiers.append(compound)
+                else:
+                    try:
+                        pcp.Compound.from_cid(compound)
+                    except pcp.BadRequestError:
+                        not_matched_identifiers.append(compound)
+
+            print(f"{len(not_matched_identifiers)} compounds are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} compounds are found! ")
+
+    def available_drug_annotation(
+        self,
+        drug_annotation_source: Literal["chembl", "dgidb", "pharmgkb"] = "chembl",
+        query_id_list: Sequence[str] | None = None,
+        query_id_type: Literal["target", "compound", "disease"] = "target",
+    ) -> None:
+        """A brief summary of drug annotation.
+
+        Args:
+            drug_annotation_source: the source of drug annotation data, chembl, dgidb or pharmgkb. Defaults to "chembl".
+            query_id_list: Unique target or compound names to test the number of matched ones present in the metadata.
+                        If set to None, query of compound identifiers will be disabled.
+                        Defaults to None.
+            query_id_type: The type of identifiers, target, compound and disease(pharmgkb only). Defaults to 'target'.
+        """
+        if self.type != "drug":
+            raise ValueError("This is not a LookUp object specific for DrugMetaData!")
+        if query_id_list is not None:
+            identifier_num_all = len(query_id_list)
+            not_matched_identifiers = []
+
+            if drug_annotation_source == "chembl":
+                if query_id_type == "target":
+                    chembl_targets = {t for target in self.chembl.targets.tolist() for t in target}
+                    # flatten the target column and remove duplicates
+                    not_matched_identifiers = list(set(query_id_list) - chembl_targets)
+                elif query_id_type == "compound":
+                    not_matched_identifiers = list(set(query_id_list) - self.chembl["compounds"])
+                else:
+                    raise ValueError(
+                        "Gene-disease association is not available in chembl dataset, please try with pharmgkb."
+                    )
+
+            elif drug_annotation_source == "dgidb":
+                if query_id_type == "target":
+                    not_matched_identifiers = list(set(query_id_list) - set(self.dgidb["gene_claim_name"]))
+                elif query_id_type == "compound":
+                    not_matched_identifiers = list(set(query_id_list) - set(self.dgidb["drug_claim_name"]))
+                else:
+                    raise ValueError(
+                        "Gene-disease association is not available in dgidb dataset, please try with pharmgkb."
+                    )
+            else:
+                if query_id_type == "target":
+                    not_matched_identifiers = list(set(query_id_list) - set(self.pharmgkb["Gene"]))
+                elif query_id_type == "compound":
+                    compounds = self.pharmgkb[self.pharmgkb["Type"] == "Chemical"]
+                    not_matched_identifiers = list(set(query_id_list) - set(compounds["Compound|Disease"]))
+                else:
+                    diseases = self.pharmgkb[self.pharmgkb["Type"] == "Disease"]
+                    not_matched_identifiers = list(set(query_id_list) - set(diseases["Compound|Disease"]))
+
+            print(f"{len(not_matched_identifiers)} {query_id_type}s are not found in the metadata.")
+            print(f"{identifier_num_all - len(not_matched_identifiers)} {query_id_type}s are found! ")

pertpy/metadata/_metadata.py

@@ -0,0 +1,73 @@
+from __future__ import annotations
+
+from typing import TYPE_CHECKING, Literal
+
+if TYPE_CHECKING:
+    from collections.abc import Sequence
+
+
+class MetaData:
+    """Superclass for pertpy's MetaData components."""
+
+    def _warn_unmatch(
+        self,
+        total_identifiers: int,
+        unmatched_identifiers: Sequence[str],
+        query_id: str,
+        reference_id: str,
+        metadata_type: Literal[
+            "cell line",
+            "protein expression",
+            "bulk RNA",
+            "drug response",
+            "moa",
+            "compound",
+        ] = "cell line",
+        verbosity: int | str = 5,
+    ) -> None:
+        """Helper function to print out the unmatched identifiers.
+
+        Args:
+            total_identifiers: The total number of identifiers in the `adata` object.
+            unmatched_identifiers: Unmatched identifiers in the `adata` object.
+            query_id: The column of `.obs` with cell line information.
+            reference_id: The type of cell line identifier in the meta data.
+            metadata_type: The type of metadata where some identifiers are not matched during annotation such as
+                           cell line, protein expression, bulk RNA expression, drug response, moa or compound.
+                           Defaults to 'cell line'.
+            verbosity: The number of unmatched identifiers to print, can be either non-negative values or 'all'.
+                       Defaults to 5.
+        """
+        if isinstance(verbosity, str):
+            if verbosity != "all":
+                raise ValueError("Only a non-negative value or 'all' is accepted.")
+            else:
+                verbosity = len(unmatched_identifiers)
+
+        if len(unmatched_identifiers) == total_identifiers:
+            hint = ""
+            if metadata_type in ["protein expression", "bulk RNA", "drug response"]:
+                hint = "Additionally, call the `CellLineMetaData.annotate()` function to acquire more possible query IDs that can be used for cell line annotation purposes."
+            raise ValueError(
+                f"Attempting to match the query id {query_id} in 'adata.obs' to the reference id {reference_id} in the metadata.\n"
+                "However, none of the query IDs could be found in the {metadata_type} annotation data.\n"
+                "To resolve this issue, call the `lookup()` function to create a LookUp object.\n"
+                "This enables obtaining the count of matched identifiers in the AnnData object for different types of reference and query IDs.\n"
+                f"{hint}"
+            )
+        if len(unmatched_identifiers) == 0:
+            return
+        if isinstance(verbosity, int) and verbosity >= 0:
+            verbosity = min(verbosity, len(unmatched_identifiers))
+            if verbosity > 0:
+                print(
+                    f"[bold blue]There are {total_identifiers} identifiers in `adata.obs`."
+                    f"However, {len(unmatched_identifiers)} identifiers can't be found in the {metadata_type} annotation,"
+                    "leading to the presence of NA values for their respective metadata.\n",
+                    "Please check again: ",
+                    *unmatched_identifiers[:verbosity],
+                    "...",
+                    sep="\n- ",
+                )
+        else:
+            raise ValueError("Only 'all' or a non-negative value is accepted.")