biwt 0.1.0

BioInformatics WalkThrough: import single-cell data and generate agent-based model initial conditions

BIWT — BioInformatics WalkThrough

A guided wizard for importing single-cell bioinformatics data and generating initial conditions for agent-based models (ABMs). Designed as a standalone pip-installable package that can be embedded in any host application. Currently integrated with PhysiCell Studio.

Installation

pip install -e .                    # core (CSV support only)
pip install -e ".[anndata]"         # + .h5ad support
pip install -e ".[seurat]"          # + .rds/.rda support (requires R + rpy2)
pip install -e ".[dev]"             # + test dependencies

Quick Start

from biwt.gui.walkthrough import create_biwt_widget
from biwt.types import BiwtInput, DomainSpec

domain = DomainSpec(xmin=-500, xmax=500, ymin=-500, ymax=500, units="micron")
biwt_input = BiwtInput(preferred_domain=domain)

def on_complete(result):
    # result.coordinates is a DataFrame with columns: x, y, z, type
    result.to_csv("config/cells.csv")

widget = create_biwt_widget(biwt_input, on_complete=on_complete)
widget.show()

Running Tests

PYTHONPATH=src python -m pytest tests/ -v

Package Structure

src/biwt/
  types.py              — Public API: DomainSpec, BiwtInput, BiwtResult
  core/
    data_loader.py      — Unified loader (.h5ad, .rds, .csv) → BiwtData
    domain.py           — Domain inference + coordinate column detection
    positioning.py      — Coordinate scaling + build_ic_dataframe
    cell_types.py       — Name-matching heuristics
    parameters/
      cell_templates.py — 29 PhysiCell cell-type XML templates
      xml_defaults.py   — Default PhysiCell XML scaffold
  gui/
    walkthrough.py      — Session state machine + Qt widget + step logic
    widgets.py          — Shared Qt widgets
    windows/            — One file per walkthrough step
tests/
  test_session.py       — 43 tests covering session logic end-to-end
  fixtures/             — CSV test fixtures

Key Design Decisions

• No file I/O in BIWT. The package returns BiwtResult in-memory; the host decides how to write.
• Pure-Python session. WalkthroughSession has no Qt dependencies. All Qt logic is in window classes.
• Single source of truth for steps. _step_predicates(session) defines step ordering. Tests import it directly.
• CSV uses type header (not cell_type) to match PhysiCell convention.
• Domain units. DomainSpec.units defaults to "micron" but supports other ABM frameworks.

Implementation Status

Completed

• Data import: .h5ad, .rds/.rda/.rdata, .csv
• Spatial coordinate detection (obsm, obs columns, Visium scale factors)
• CSV spatial synthesis (x/y/z obs columns → obsm["spatial"])
• Domain inference with priority chain (preferred > platform > data_range > default)
• Domain mismatch: two-tier detection (classify_domain_mismatch: "outside" / "small" / None)
• DomainEditorDialog auto-triggered at positions window open (not import time)
• Context-sensitive mismatch header; no header for manual "Domain Settings…" open
• domain_accepted flag prevents re-trigger on back/forward navigation
• BiwtInput.domain_accepted + "Skip domain validation" checkbox bypass auto-check
• Z-fields default to ±10 for 2D data in domain editor
• DomainSpec units field; auto-scale toggle wired into positions step
• Auto-scale off: raw data bounding box centered at domain center (not identity transform)
• "Domain Settings…" button in positions plot window for manual domain editing
• Spot deconvolution query and cell expansion
• Cluster column selection
• Spatial data query (use spatial coords or random placement)
• Edit cell types (keep / merge / delete) with scatter plot and legend
• Rename cell types with Studio name suggestions and duplicate blocking
• Cell counts (data counts, confluence, total count modes)
• Coordinate placement (spatial scaling, random placement)
• 29 cell parameter templates with XML assembly
• BiwtResult assembly (coordinates, cell_type_map, domain, XML)
• Studio bridge (BiwtInput/BiwtResult, _biwt_complete callback)
• Overwrite/Append/Browse/Cancel dialog for CSV output
• Append handles extra columns in existing CSV
• Session reset on reimport
• Step predicate extraction for testability
• 57 passing tests

In Progress

• End-to-end manual testing with Studio

Remaining

• pyproject.toml extras for anndata/seurat/dev dependencies
• CI pipeline (GitHub Actions, Python 3.9–3.12)
• CI: R-dependent tests for .rds import (requires provisioning R on CI runners; seurat excluded from dev extra for now)
• User documentation / help text within wizard steps
• Substrate/gene expression pass-through (reserved fields in BiwtResult)
• Multi-library Visium support
• 3D spatial data support beyond z=0 padding

Related Documents

• PRD.md — Product requirements (behavioral specs, acceptance criteria)
• progress.md — Session decisions and reasoning
• CLAUDE.md — Claude agent guide for this repo