datasnakes/OrthoEvolution

Database Management for the pipeline.

grabear opened this issue · 8 comments

grabear commented
  • Database Management will first be developed in Manager/database_management.py
  • Another module for creating template BioSQL databases will be developed in Manager/BioSQL/biosql.py
  • It will help keep the following databases updated:
    • ETE3's NCBI-taxonomy database
    • Local NCBI databases
sdhutchins commented

@grabear status? Closeable? lol

grabear commented

Not yet lol. @sdhutchins

grabear commented

Update on this issue.

Scope

  • Manager/BioSQL/biosql.py
  • Manager/database_management.py
  • Manager/database_dispatcher.py
  • Manager/utils.py
  • Manager/config/yml/database_config.yml
  • Manager/db_mana_test.py

Tested Functionality

The following checked items have been tested by changing the parameters in the config file.

  • Logging is looking amazing.
  • YAML config file format (database_config.yml)

Configuration

  • Dispatching database management tasks (database_dispatcher.py via database_management.py)
    • BioSQL creation (biosql.py)
      • SQLite
        • BioSQL template creation with schema and NCBI taxonomy
      • MySQL
        • BioSQL template creation with schema and NCBI taxonomy
    • NCBI tasks
      • blast downloading
        • db downloading
        • windowmasker files downloading
      • pub taxonomy downloading
      • refseq release
        • downloading
        • uploading to BioSQL
    • ITIS downloads
  • Configuration on a per project basis

Archiving

Bugs need to be fixed with the file movement and deletion after archiving.

  • Archiving

Deletion

Not Tested

Config File Explanation and Preview

The config file is loaded into Python as a nested dictionary. The top key value pairs such as:

email:  "rgilmore@umc.edu"
driver: "sqlite3"

are used for changing the parameters in the BaseDatabaseManagement class.

The various strategies for dispatching tasks include the following and are dictionary keys:

['Full', 'Projects', 'NCBI', 'NCBI_blast', 'NCBI_blast_db', 'NCBI_blast_windowmasker_files', 'NCBI_pub_taxonomy', 'NCBI_refseq_release', 'ITIS', 'ITIS_taxonomy']

Some keys are nested in the config file. The concept to note here is that top level keys (or strategies) have flags that control any sub level strategies. So if the configure_flag for 'Full' is True, then the configure_flag for 'Projects', 'NCBI', 'NCBI_blast', 'NCBI_blast_db', 'NCBI_blast_windowmasker_files', 'NCBI_pub_taxonomy', 'NCBI_refseq_release', 'ITIS', and 'ITIS_taxonomy' will also be interpreted as True when the database functions are dispatched.

Below I've added a preview of the entire database_config.yml file for consideration of the above statements.

Database_config:
  email:  "rgilmore@umc.edu"
  driver: "sqlite3"
  Full:
    configure_flag: False
    archive_flag: False
    delete_flag: False
    project_flag: False
    _path: "!!python/object/apply:pathlib.Path ['']"
    Projects:
      Project_Name_1:
        configure_flag: True
        archive_flag: False
        delete_flag: False
        _path: "!!python/object/apply:pathlib.Path ['Project_Name_1']"
      Project_Name_2:
        configure_flag: True
        archive_flag: False
        delete_flag: False
        _path: "!!python/object/apply:pathlib.Path ['Project_Name_2']"
      Project_Name_3:
        configure_flag: True
        archive_flag: False
        delete_flag: False
        _path: "!!python/object/apply:pathlib.Path ['Project_Name_3']"
    NCBI:
      configure_flag: False
      archive_flag: False
      delete_flag: False
      _path: "!!python/object/apply:pathlib.Path ['NCBI']"
      NCBI_blast:
        configure_flag: False
        archive_flag: False
        delete_flag: False
        _path: "!!python/object/apply:pathlib.Path ['NCBI', 'blast']"
        NCBI_blast_db:
          configure_flag: False
          archive_flag:  False
          delete_flag: False
          _path: "!!python/object/apply:pathlib.Path ['NCBI', 'blast', 'db']"
        NCBI_blast_windowmasker_files:
          configure_flag: False
          archive_flag: False
          delete_flag: False
          _path: "!!python/object/apply:pathlib.Path ['NCBI', 'blast', 'windowmasker_files']"
          taxonomy_ids: ""
      NCBI_pub_taxonomy:
        configure_flag: True
        archive_flag: False
        delete_flag: False
        _path: "!!python/object/apply:pathlib.Path ['NCBI', 'pub', taxonomy']"
      NCBI_refseq_release:
        seqtype: "rna" # Other seqtypes are protein and genomic
        seqformat: "gbff"
        collection_subset: "vertebrate_mammalian"
        configure_flag: False
        archive_flag: False
        delete_flag: False
        upload_flag: False
        _path: "!!python/object/apply:pathlib.Path ['NCBI', 'refseq', 'release']"
        upload_list: [1,2,3,4,5,6,7,8,9,10]
    ITIS:
      configure_flag: True
      archive_flag: False
      delete_flag: False
      _path: "!!python/object/apply:pathlib.Path ['ITIS']"
      ITIS_taxonomy:
        configure_flag: True
        archive_flag: False
        delete_flag: False
        _path: "!!python/object/apply:pathlib.Path ['ITIS', 'taxonomy']"
  • ❤️1
grabear commented

Current ToDo List:

  • Resolve dependency issues (sqlalchemy, tqdm, luigi, sciluigi,) (other?)
  • Make sure ete3 taxdump files go to the proper database folder
       comparative_genetics - line 240 ish
        # Load taxon ids from a local NCBI taxon database via ete3
       ncbi = NCBITaxa()
  • Create class for managing sqlite3 database including the duplicates and missing values
  • Resolve None/Nan values in accession data
  • Make sure the database_dispatcher is creating the proper sub directory for NCBI_refseq_release (e.g. vertebrate_mammalian)
grabear commented

Fix the NCBI_refseq_release database_management functionality:

OrthoEvolution/OrthoEvol/Manager/database_management.py

Lines 505 to 543 in a487971

# Create a list of lists with an index corresponding to the upload number
if file_list is None:
db_path = self.database_path / Path('NCBI') / Path('refseq') / Path('release') / Path(collection_subset)
file_list = os.listdir(str(db_path))
file_list = [x for x in file_list if x.endswith(str(seqformat))]
sub_upload_size = len(file_list) // upload_number
sub_upload_lists = [file_list[x:x + 100] for x in range(0, len(file_list), sub_upload_size)]
if (len(file_list) % upload_number) != 0:
upload_number = upload_number + 1
add_to_default = 0
for sub_list in sub_upload_lists:
add_to_default += 1
nrr_dispatcher["NCBI_refseq_release"]["upload"].append(refseq_jobber)
code_dict_string = str({
"collection_subset": collection_subset,
"seqtype": seqtype,
"seqformat": seqformat,
"upload_list": sub_list,
"add_to_default": add_to_default
})
# Create a Python script for this in the package
sge_code_string = \
"from OrthoEvol.Manager.management import ProjectManagement\n" \
"from OrthoEvol.Manager.database_dispatcher import DatabaseDispatcher\n" \
"from OrthoEvol.Manager.config import yml\n" \
"from pkg_resources import resource_filename\n" \
"import yaml\n" \
"pm_config_file = resource_filename(yml.__name__, \"config_template_existing.yml\")\n" \
"with open(pm_config_file, \'r\') as f:\n" \
" pm_config = yaml.safe_load(f)\n" \
"pm = ProjectManagement(**pm_config[\"Management_config\"])\n" \
"code_dict_string = %s\n" \
"R_R = DatabaseDispatcher(config_file=\"%s\", proj_mana=pm, upload_refseq_release=True, **code_dict_string)\n" % \
(code_dict_string, self.config_file)
nrr_config["NCBI_refseq_release"]["upload"].append({
"code": sge_code_string,
"base_jobname": "upload_rr_%s",
"email_address": self.email,
"id": add_to_default})

  • 👍1
sdhutchins commented

One question as I test this out, @grabear:

  • How would I use an existing database (refseq) or do we need to create an if statement that compares size of current refseq path (if it exists) to ftp file path?
grabear commented

@sdhutchins
Sorry I missed this...

I don't quite understand your question though. Are you asking how do we know if our data is up to date?

Do you still need help with this?

grabear commented

Things to do:

  • New blast database
  • Make sure that ete3's NCBITaxa() call is using the file we manually download via DatabaseManagement
NCBITaxa(taxdump_file="out_path/taxdump.tar.gz")
  • Move the Template-BioSQL-SQLite.db to the top level of repositories
  • Consider moving refseq_release databases as well. If implemented we could copy/paste them for sqlite. And then delete them after the pipeline use.
  • Try to work on MySQL or PG
  • 👍1