diff --git a/.#LMDB_USAGE.md b/.#LMDB_USAGE.md new file mode 120000 index 0000000..65512d0 --- /dev/null +++ b/.#LMDB_USAGE.md @@ -0,0 +1 @@ +kabui@kabui-XPS-15-9570.80343:1774508960 \ No newline at end of file diff --git a/ARCHITECTURE.org b/ARCHITECTURE.org new file mode 100644 index 0000000..f9239e0 --- /dev/null +++ b/ARCHITECTURE.org @@ -0,0 +1,306 @@ +#+TITLE: GeneNetwork Correlation Architecture +#+AUTHOR: Kabui +#+DATE: 2026-03-26 + +* Overview + +This document describes the correlation computation architecture in GeneNetwork, +from the web interface (GN2) through the computation service (GN3) to the +high-performance Rust backend. It also details the LMDB optimization strategy +for improving correlation performance. + +* Architecture Flow + +The correlation system follows a three-tier architecture: + +#+BEGIN_SRC +┌─────────────────────────────────────────────────────────────────────────────┐ +│ GENENETWORK2 (GN2) │ +│ (Web UI + MySQL Data Fetch) │ +└─────────────────────────────────────────────────────────────────────────────┘ + │ + ▼ +┌─────────────────────────────────────────────────────────────────────────────┐ +│ GENENETWORK3 (GN3) │ +│ (Computation Interface) │ +└─────────────────────────────────────────────────────────────────────────────┘ + │ + ▼ +┌─────────────────────────────────────────────────────────────────────────────┐ +│ CORRELATION_RUST │ +│ (High-Performance Compute Engine) │ +└─────────────────────────────────────────────────────────────────────────────┘ +#+END_SRC + +** Layer 1: GeneNetwork2 (GN2) + +Location: =~/project3/genenetwork2/gn2/wqflask/correlation/= + +*** Key Files + +| File | Purpose | +|------|---------| +| =correlation_gn3_api.py= | Main API entry point, creates trait/dataset objects | +| =rust_correlation.py= | Fetches sample data from MySQL, formats for GN3 | + +*** Data Flow + +1. =create_target_this_trait()= creates dataset and trait objects +2. =compute_correlation_rust()= is the main entry point +3. =__compute_sample_corr__()= or =compute_top_n_sample()= queries MySQL +4. Data is formatted as =list[str]= (CSV-like rows) for transfer to GN3 + +*** MySQL Queries (Bottleneck) + +#+BEGIN_SRC sql +-- From compute_top_n_sample() in rust_correlation.py +SELECT * from ProbeSetData +WHERE StrainID IN (?, ?, ...) +AND Id IN ( + SELECT ProbeSetXRef.DataId + FROM ProbeSet, ProbeSetXRef, ProbeSetFreeze + WHERE ProbeSetXRef.ProbeSetFreezeId = ProbeSetFreeze.Id + AND ProbeSetFreeze.Name = ? + AND ProbeSet.Name IN (?, ?, ...) + AND ProbeSet.Id = ProbeSetXRef.ProbeSetId +) +#+END_SRC + +** Layer 2: GeneNetwork3 (GN3) + +Location: =~/project/genenetwork3/gn3/computations/rust_correlation.py= + +*** Key Functions + +| Function | Purpose | +|----------|---------| +| =run_correlation()= | Main orchestration function | +| =generate_input_files()= | Writes dataset to CSV file | +| =generate_json_file()= | Creates JSON config for Rust | +| =parse_correlation_output()= | Reads and parses Rust results | + +*** JSON Configuration Format + +The JSON file passed to Rust has this structure: + +#+BEGIN_SRC json +{ + "method": "pearson", + "file_path": "/tmp/correlation/abc123.txt", + "x_vals": [1.2, 3.4, 5.6, ...], + "sample_values": "bxd1", + "output_file": "/tmp/correlation/def456.txt", + "file_delimiter": "," +} +#+END_SRC + +*** Process Flow + +1. Receive dataset and trait values from GN2 +2. =generate_input_files()= writes CSV to disk +3. =generate_json_file()= creates JSON config pointing to CSV +4. Execute Rust binary via =subprocess.run()= +5. =parse_correlation_output()= reads results + +** Layer 3: Correlation Rust + +Location: =~/correlation_rust/= + +*** Key Files + +| File | Purpose | +|------|---------| +| =src/main.rs= | Entry point, JSON parsing | +| =src/analysis.rs= | Orchestrates correlation computation | +| =src/correlations.rs= | Core correlation logic (Pearson/Spearman) | +| =src/lmdb_reader.rs= | LMDB reading interface | +| =src/reader.rs= | CSV reading interface | + +*** Auto-Detection Logic + +The Rust code automatically detects input type: + +#+BEGIN_SRC rust +pub fn compute(&self) -> std::io::Result { + if std::path::Path::new(self.dataset_path).is_dir() { + // FAST: Memory-mapped LMDB + self.compute_from_lmdb(&mut corr_results)?; + } else { + // SLOW: CSV parsing + self.compute_from_csv(&mut corr_results)?; + } + // ... +} +#+END_SRC + +* Current Bottleneck Analysis + +** Performance Breakdown + +| Step | Time Complexity | Issue | +|------|-----------------|-------| +| MySQL Query | O(n × m) | Large JOINs across ProbeSetData, ProbeSetXRef | +| CSV Generation | O(n) | Disk I/O for large datasets | +| CSV Parsing | O(n) | String parsing overhead | +| **Total** | **~seconds to minutes** | For large ProbeSet datasets | + +** Scale of Data + +| Dataset Type | Typical Size | +|--------------|--------------| +| Traits (ProbeSets) | 20,000 - 50,000 | +| Strains | 20 - 100 | +| Total Values | ~1-5 million | + +* LMDB Optimization Strategy + +** New Data Flow + +#+BEGIN_SRC +┌─────────────┐ ┌──────────────┐ ┌─────────────────┐ ┌──────────┐ +│ MySQL │────▶│ Python Dump │────▶│ LMDB File │────▶│ Rust │ +│ (Source) │ │(One-time) │ │ (Memory-mapped) │ │ (Fast!) │ +└─────────────┘ └──────────────┘ └─────────────────┘ └──────────┘ + ▲ + │ +┌─────────────┐ ┌──────────────┐ │ +│ GN2 │────▶│ GN3 │──────────────────┘ +│ (Skip DB │ │(Pass LMDB │ Just pass path +│ queries) │ │ path only) │ instead of CSV data +└─────────────┘ └──────────────┘ +#+END_SRC + +** LMDB Data Format + +Produced by: =batch_lmdb_metadata.py= (in =lmdb_scripts/=) + +| LMDB Key | Content | Format | +|----------|---------|--------| +| =probeset_matrix= | Expression values | Raw f64 bytes (row-major) | +| =probeset_metadata= | Dataset info | JSON (shape, traits, strains) | +| =probeset_se_matrix= | Standard errors | Raw f64 bytes (optional) | + +** Rust LMDB Reader + +Location: =src/lmdb_reader.rs= + +| Method | Purpose | +|--------|---------| +| =LmdbReader::new(path)= | Open LMDB environment | +| =read_metadata()= | Parse JSON metadata | +| =read_trait(name)= | Random access single trait | +| =iter_traits()= | Stream all traits (correlation uses this) | + +* Required Changes for LMDB Integration + +** Minimal Change Approach + +Modify only =gn3/computations/rust_correlation.py= to support LMDB paths. + +*** Current Behavior + +1. GN2 passes dataset as =list[str]= +2. GN3 writes CSV file +3. JSON points to CSV file path +4. Rust reads CSV + +*** New Behavior (LMDB Mode) + +1. GN2 passes LMDB directory path instead of data +2. GN3 skips CSV generation +3. JSON points directly to LMDB directory +4. Rust detects directory → uses =compute_from_lmdb()= + +*** Code Change Required + +In =gn3/computations/rust_correlation.py=: + +#+BEGIN_SRC python +# CURRENT: Always generates CSV +def run_correlation(dataset, trait_vals, method, delimiter, tmpdir, ...): + (tmp_dir, tmp_file) = generate_input_files(dataset, tmpdir) + (output_file, json_file) = generate_json_file(...) + # ... subprocess call + +# NEW: Support LMDB path +def run_correlation(dataset_or_path, trait_vals, method, delimiter, tmpdir, + use_lmdb=False, ...): + if use_lmdb: + # dataset_or_path is actually the LMDB directory path + lmdb_path = dataset_or_path + (output_file, json_file) = generate_json_file_for_lmdb( + lmdb_path=lmdb_path, ...) + else: + # Original CSV logic + (tmp_dir, tmp_file) = generate_input_files(dataset_or_path, tmpdir) + (output_file, json_file) = generate_json_file(...) + # ... subprocess call +#+END_SRC + +** No Changes Required In + +| Component | Reason | +|-----------|--------| +| correlation_rust | Already auto-detects LMDB via =is_dir()= check | +| LMDB format | Already matches Python output | + +* Testing Strategy + +** End-to-End Test + +1. Dump a dataset using =batch_lmdb_metadata.py= + #+BEGIN_SRC bash + python batch_lmdb_metadata.py dump-dataset \ + "mysql://user:pass@localhost/db" \ + /tmp/lmdb_data \ + 206 + #+END_SRC + +2. Verify LMDB can be read by Rust + #+BEGIN_SRC bash + cd ~/correlation_rust + cargo test test_read_metadata -- --nocapture + cargo test test_iterator -- --nocapture + #+END_SRC + +3. Test correlation via JSON input + #+BEGIN_SRC json + { + "method": "pearson", + "file_path": "/tmp/lmdb_data/HC_M2_0606_P", + "x_vals": [1.2, 3.4, ...], + "output_file": "/tmp/results.txt" + } + #+END_SRC + +* Performance Expectations + +| Metric | CSV Mode | LMDB Mode | Improvement | +|--------|----------|-----------|-------------| +| Data Loading | ~1-5s | ~10-100ms | 10-100x | +| Memory Usage | High (full load) | Low (mmap) | OS-managed | +| Random Access | O(n) seek | O(1) direct | Instant | +| Startup Time | ~seconds | ~milliseconds | Near instant | + +* References + +** File Locations + +| Component | Path | +|-----------|------| +| GN2 Correlation | =~/project3/genenetwork2/gn2/wqflask/correlation/= | +| GN3 Correlation | =~/project/genenetwork3/gn3/computations/rust_correlation.py= | +| Rust Correlation | =~/correlation_rust/= | +| LMDB Dumper | =~/lmdb_scripts/batch_lmdb_metadata.py= | + +** Git Branches + +| Repository | Branch | Purpose | +|------------|--------|---------| +| correlation_rust | =feature/lmdb-optimization= | LMDB reading support | + +** Key Commits/Changes + +- LMDB reader implementation: =src/lmdb_reader.rs= +- Auto-detection logic: =src/correlations.rs= (lines ~180-200) +- Python LMDB dumper: =batch_lmdb_metadata.py= diff --git a/Cargo.lock b/Cargo.lock index cfa4789..50d58a5 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -72,6 +72,16 @@ version = "0.3.0" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "37b2a672a2cb129a2e41c10b1224bb368f9f37a2b16b612598138befd7b37eb5" +[[package]] +name = "cc" +version = "1.2.56" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "aebf35691d1bfb0ac386a69bac2fde4dd276fb618cf8bf4f5318fe285e821bb2" +dependencies = [ + "find-msvc-tools", + "shlex", +] + [[package]] name = "cfg-if" version = "1.0.4" @@ -96,6 +106,8 @@ dependencies = [ "GSL", "assert_approx_eq", "criterion", + "lmdb", + "rayon", "serde", "serde_json", ] @@ -188,6 +200,12 @@ version = "1.15.0" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "48c757948c5ede0e46177b7add2e67155f70e33c07fea8284df6576da70b3719" +[[package]] +name = "find-msvc-tools" +version = "0.1.9" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "5baebc0774151f905a1a2cc41989300b1e6fbb29aff0ceffa1064fdd3088d582" + [[package]] name = "half" version = "1.8.3" @@ -240,6 +258,28 @@ version = "0.2.180" source = "registry+https://github.com/rust-lang/crates.io-index" checksum = "bcc35a38544a891a5f7c865aca548a982ccb3b8650a5b06d0fd33a10283c56fc" +[[package]] +name = "lmdb" +version = "0.8.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "5b0908efb5d6496aa977d96f91413da2635a902e5e31dbef0bfb88986c248539" +dependencies = [ + "bitflags", + "libc", + "lmdb-sys", +] + +[[package]] +name = "lmdb-sys" +version = "0.8.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "d5b392838cfe8858e86fac37cf97a0e8c55cc60ba0a18365cadc33092f128ce9" +dependencies = [ + "cc", + "libc", + "pkg-config", +] + [[package]] name = "memchr" version = "2.7.6" @@ -448,6 +488,12 @@ dependencies = [ "zmij", ] +[[package]] +name = "shlex" +version = "1.3.0" +source = "registry+https://github.com/rust-lang/crates.io-index" +checksum = "0fda2ff0d084019ba4d7c6f371c95d8fd75ce3524c3cb8fb653a3023f6323e64" + [[package]] name = "syn" version = "2.0.114" diff --git a/Cargo.toml b/Cargo.toml index 9fb195b..c55c167 100644 --- a/Cargo.toml +++ b/Cargo.toml @@ -16,7 +16,9 @@ assert_approx_eq = "1.1.0" serde = { version = "1.0.104", features = ["derive"] } serde_json = "1.0.48" +lmdb = "0.8" +rayon = "1.7" [dev-dependencies] criterion = "0.3" diff --git a/LMDB_USAGE.md b/LMDB_USAGE.md new file mode 100644 index 0000000..13b7d5a --- /dev/null +++ b/LMDB_USAGE.md @@ -0,0 +1,306 @@ +# LMDB Correlation Usage Guide + +This guide explains how to use the LMDB correlation feature in correlation_rust. + +## Quick Start + +```bash +# Run with example LMDB input +cargo run -- tests/data/input_lmdb.json /tmp + +# Run with your own input +cargo run -- /path/to/input.json /tmp + +# Run optimized release build +cargo run --release -- input.json /tmp + +# Run tests +cargo test + +# Run integration tests (requires GSL + LMDB) +cargo test -- --ignored +``` + +## Overview + +The LMDB correlation mode allows you to: +- Skip CSV file generation +- Read expression data directly from memory-mapped LMDB files +- Correlate with any subset of strains by specifying them in the JSON input + +## JSON Input Format + +### With Strains (LMDB Mode) + +Use this format when you have an LMDB dataset and want to correlate with specific strains: + +```json +{ + "file_path": "/path/to/lmdb/dataset/", + "x_vals": [1.2, 3.4, 5.6, 7.8], + "strains": ["C57BL/6J", "DBA/2J", "BXD1", "BXD2"], + "sample_values": "input_trait_name", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/results.txt" +} +``` + +**Important:** +- `file_path` must point to a **directory** (the LMDB folder) +- `strains` array order must match `x_vals` order (1-to-1 correspondence) +- All strains listed must exist in the LMDB dataset + +### Without Strains (Legacy CSV Mode) + +For backward compatibility, CSV mode still works: + +```json +{ + "file_path": "path/to/data.csv", + "x_vals": [1.2, 3.4, 5.6, 7.8], + "sample_values": "input_trait_name", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/results.txt" +} +``` + +## How It Works + +1. **Auto-detection**: Rust checks if `file_path` is a directory + - If **directory**: LMDB mode with optional strain extraction + - If **file**: CSV mode (original behavior) + +2. **Strain Mapping**: When strains are provided: + - Read LMDB metadata to get strain order + - Build strain name → column index map + - Extract only specified columns for each trait + +3. **Correlation**: Compute Pearson or Spearman correlation for each trait + +## Example Usage + +### Step 1: Prepare LMDB Dataset + +Ensure your LMDB dataset is dumped using `batch_lmdb_metadata.py`: + +```bash +python batch_lmdb_metadata.py dump-dataset \ + "mysql://user:pass@localhost/db_webqtl" \ + /var/lmdb_data \ + 206 +``` + +This creates `/var/lmdb_data/HC_M2_0606_P/` with LMDB files. + +### Step 2: Create JSON Input + +Create a file `input.json`: + +```json +{ + "file_path": "/var/lmdb_data/HC_M2_0606_P/", + "x_vals": [5.2, 7.1, 3.8, 9.4], + "strains": ["C57BL/6J", "DBA/2J", "BXD1", "BXD2"], + "sample_values": "my_trait", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/correlation_results.txt" +} +``` + +### Step 3: Run Correlation + +#### Option A: Run compiled binary + +```bash +./correlation_rust input.json /tmp +``` + +#### Option B: Run with Cargo (development) + +For development and testing, run directly without compiling: + +```bash +# Run with cargo (uses the JSON file as argument) +cargo run -- tests/data/input_lmdb.json /tmp + +# Run with custom input +cargo run -- /path/to/my_input.json /tmp + +# Run with verbose output +cargo run --release -- tests/data/input_lmdb.json /tmp +``` + +**Arguments:** +- First argument: Path to JSON input file +- Second argument: Temporary directory for output files + +**Environment variables:** +```bash +# Use custom LMDB path for testing +LMDB_TEST_PATH=/custom/lmdb/path/ cargo run -- input.json /tmp + +# Debug logging +RUST_LOG=debug cargo run -- input.json /tmp +``` + +Or via GN3 (when implemented): + +```python +from gn3.computations.rust_correlation import run_correlation + +results = run_correlation( + dataset_or_path="/var/lmdb_data/HC_M2_0606_P/", + trait_vals=[5.2, 7.1, 3.8, 9.4], + strains=["C57BL/6J", "DBA/2J", "BXD1", "BXD2"], + method="pearson", + delimiter=",", + tmpdir="/tmp" +) +``` + +## Output Format + +The output file contains one line per correlated trait: + +``` +trait_name,correlation_coefficient,p_value,num_overlap +100244_at,0.8543,0.0001,4 +100253_at,-0.2314,0.7686,4 +100341_at,0.9121,0.00001,4 +... +``` + +Fields: +- `trait_name`: Name of the trait (e.g., ProbeSet ID) +- `correlation_coefficient`: Pearson or Spearman r value +- `p_value`: Two-tailed p-value +- `num_overlap`: Number of samples used in correlation + +## Error Handling + +### Strain Not Found + +If a strain specified in the JSON doesn't exist in the LMDB dataset: + +``` +Error: Strain mismatch: requested 4 strains, found 3. +Some strains may not exist in the LMDB dataset. +``` + +**Solution**: Check strain names match exactly (case-sensitive). + +### LMDB Path Not Found + +``` +Error: No such file or directory (os error 2) +``` + +**Solution**: Verify `file_path` points to the correct LMDB directory. + +### Not Enough Samples + +Traits with fewer than 4 valid (non-NaN) samples are skipped. + +## Performance + +| Mode | Time (45K traits × 50 strains) | Notes | +|------|--------------------------------|-------| +| CSV | ~2-5 seconds | File I/O + parsing | +| LMDB (all strains) | ~100-300ms | Memory-mapped | +| LMDB (subset) | ~100-300ms | Column extraction | + +## Testing + +### Unit Tests (No External Dependencies) + +```bash +cargo test test_compute_with_strains +cargo test test_compute_without_strains +cargo test test_analysis_with_strains +``` + +### Integration Tests (Requires GSL and LMDB) + +**Default path:** Uses `/home/kabui/lmdb_data/HC_M2_0606_P/` + +```bash +# Check if LMDB exists at default path +ls /home/kabui/lmdb_data/HC_M2_0606_P/ + +# Run all ignored tests +cargo test -- --ignored + +# Run specific LMDB test +cargo test test_lmdb_correlation_with_strains -- --ignored --nocapture +``` + +**Custom LMDB path:** Use `LMDB_TEST_PATH` environment variable + +```bash +# Run tests with custom LMDB path +LMDB_TEST_PATH=/custom/lmdb/path/ cargo test -- --ignored + +# Run specific test with custom path +LMDB_TEST_PATH=/data/my_lmdb/ cargo test test_lmdb_correlation_with_strains -- --ignored + +# Example with full dataset +LMDB_TEST_PATH=/var/lmdb/GTEx_Liver/ cargo test test_lmdb_correlation_all_strains -- --ignored --nocapture +``` + +**Check available strains in your LMDB:** + +```bash +# Using Python +python3 -c "import lmdb, json; env = lmdb.open('/home/kabui/lmdb_data/HC_M2_0606_P/'); txn = env.begin(); meta = json.loads(txn.get(b'probeset_metadata')); print('Strains:', meta['strains'][:10])" + +# Using Rust (after building) +cargo run --bin check_strains -- /home/kabui/lmdb_data/HC_M2_0606_P/ +``` + +**Test data requirements:** +- Valid LMDB directory with `probeset_matrix` and `probeset_metadata` keys +- Metadata must include `strains` array +- At least 4 strains recommended for meaningful correlation tests + +## Architecture + +``` +input.json + │ + ▼ +┌─────────────────────┐ +│ main.rs │ Entry point +└──────────┬──────────┘ + │ + ▼ +┌─────────────────────┐ +│ analysis.rs │ Parse JSON, route to Compute +│ - Check strains │ +└──────────┬──────────┘ + │ + ▼ +┌─────────────────────┐ +│ correlations.rs │ Core correlation logic +│ - new_with_strains│ (if strains provided) +│ - compute_from_lmdb│ (LMDB + column extraction) +└──────────┬──────────┘ + │ + ▼ +┌─────────────────────┐ +│ lmdb_reader.rs │ Read LMDB files +│ - read_metadata │ (get strain order) +│ - iter_traits │ (stream all traits) +└─────────────────────┘ +``` + +## Migration from CSV to LMDB + +1. **Dump your datasets** using `batch_lmdb_metadata.py` +2. **Update GN2/GN3** to pass LMDB path and strains +3. **Test** with a subset of queries first +4. **Monitor** performance improvements + +No changes needed in the Rust binary itself - it auto-detects based on path type! diff --git a/STRAIN_ALIGNMENT.org b/STRAIN_ALIGNMENT.org new file mode 100644 index 0000000..cc878c2 --- /dev/null +++ b/STRAIN_ALIGNMENT.org @@ -0,0 +1,556 @@ +#+TITLE: Strain Alignment for LMDB Correlation +#+AUTHOR: Kabui +#+DATE: 2026-03-26 + +* Problem Statement + +When computing correlations using LMDB, we have a **strain alignment problem**: + +**LMDB Structure:** +- Contains ALL strains from the dataset in a fixed order +- Matrix shape: (n_traits, n_strains) +- Example strains: ["BXD1", "BXD2", "BXD5", "BXD6", "BXD8", ...] + +**User Input (from GN2):** +- User selects a SUBSET of strains: ["BXD1", "BXD2", "BXD5"] +- Provides x_vals (input trait values): [1.2, 3.4, 5.6] +- These values correspond to the selected strains in order + +**The Challenge:** +When iterating through traits in the LMDB, we get full rows with ALL strains: +``` +Trait_001: [1.1, 2.2, 3.3, 4.4, 5.5, ...] // All strains +``` + +But x_vals only has values for SELECTED strains: +``` +x_vals: [1.2, 3.4, 5.6] // Only BXD1, BXD2, BXD5 +``` + +**Solution:** Pass strain names in the JSON so Rust can extract the correct columns. + +* Proposed JSON Format + +The JSON passed to Rust needs to include strain information: + +#+BEGIN_SRC json +{ + "method": "pearson", + "file_path": "/path/to/lmdb/HC_M2_0606_P", + "x_vals": [1.2, 3.4, 5.6], + "strains": ["BXD1", "BXD2", "BXD5"], + "output_file": "/tmp/results.txt", + "file_delimiter": "," +} +#+END_SRC + +**Fields:** +| Field | Type | Description | +|-------|------|-------------| +| method | string | "pearson" or "spearman" | +| file_path | string | Path to LMDB directory (detected as dir) | +| x_vals | array[f64] | Input trait values for selected strains | +| strains | array[string] | Strain names corresponding to x_vals | +| output_file | string | Where to write results | +| file_delimiter | string | Ignored for LMDB, kept for compatibility | + +* Rust Implementation Plan + +**1. Parser Updates** + +Add `strains` field to the JSON deserialization struct: + +#+BEGIN_SRC rust +#[derive(Debug, Deserialize)] +pub struct JsonData { + pub method: String, + pub file_path: String, + pub x_vals: Vec, + pub strains: Option>, // NEW: Optional for backward compatibility + pub output_file: String, + pub file_delimiter: char, +} +#+END_SRC + +**2. Compute Struct Updates** + +Add strains to the Compute struct: + +#+BEGIN_SRC rust +pub struct Compute<'a> { + x_vals: &'a [f64], + strains: Option<&'a [String]>, // NEW + dataset_path: &'a str, + method: CorrelationMethod, + file_delimiter: char, + output_file: &'a str, +} +#+END_SRC + +**3. LMDB Correlation Logic** + +Update `compute_from_lmdb` to handle strain selection: + +#+BEGIN_SRC rust +fn compute_from_lmdb( + &self, + corr_results: &mut Vec<(String, f64, f64, i32)>, +) -> std::io::Result<()> { + let reader = LmdbReader::new(self.dataset_path)?; + let metadata = reader.read_metadata()?; + + // Build strain -> column index mapping from LMDB metadata + let strain_to_idx: HashMap<&str, usize> = metadata.strains + .iter() + .enumerate() + .map(|(i, s)| (s.as_str(), i)) + .collect(); + + // Determine which columns to extract + let column_indices: Vec = match self.strains { + Some(strains) => { + // User specified strains - look up their indices + strains.iter() + .filter_map(|s| strain_to_idx.get(s.as_str()).copied()) + .collect() + } + None => { + // No strains specified - use all columns (legacy mode) + (0..metadata.columns).collect() + } + }; + + // Validate we found all requested strains + if let Some(strains) = self.strains { + if column_indices.len() != strains.len() { + return Err(std::io::Error::new( + std::io::ErrorKind::InvalidInput, + format!("Strain mismatch: requested {}, found {}", + strains.len(), column_indices.len()) + )); + } + } + + // Iterate through all traits + let mut iter = reader.iter_traits()?; + while let Some((trait_name, full_row)) = iter.next() { + // Extract only the columns we need + let y_vals: Vec = column_indices + .iter() + .map(|&idx| full_row[idx]) + .collect(); + + // Filter NaN and compute correlation + let (parsed_x, parsed_y) = filter_and_align(&self.x_vals, &y_vals); + + if parsed_x.len() >= 4 { + let (rho, p_val) = self.correlate(&parsed_x, &parsed_y); + corr_results.push((trait_name, rho, p_val, parsed_x.len() as i32)); + } + } + + Ok(()) +} +#+END_SRC + +* GN3 Integration + +**New Function: `generate_json_file_for_lmdb`** + +#+BEGIN_SRC python +def generate_json_file_for_lmdb( + lmdb_path: str, + strains: list[str], + x_vals: list[float], + method: str, + tmp_dir: str) -> tuple[str, str]: + """Generate JSON config for LMDB mode (no CSV generation needed)""" + + tmp_json_file = os.path.join(tmp_dir, f"{random_string(10)}.json") + output_file = os.path.join(tmp_dir, f"{random_string(10)}.txt") + + with open(tmp_json_file, "w", encoding="utf-8") as f: + json.dump({ + "method": method, + "file_path": lmdb_path, # LMDB directory path + "x_vals": x_vals, # Values for selected strains + "strains": strains, # Strain names (order matters!) + "output_file": output_file, + "file_delimiter": "," + }, f) + + return (output_file, tmp_json_file) +#+END_SRC + +**Modified `run_correlation` Function:** + +#+BEGIN_SRC python +def run_correlation( + dataset_or_path, # Can be list[str] OR str (LMDB path) + trait_vals: list[float], + strains: list[str], # NEW: Required for LMDB mode + method: str, + delimiter: str, + tmpdir: str, + corr_type: str = "sample", + top_n: int = 500): + """Entry function to call rust correlation""" + + correlation_command = current_app.config["CORRELATION_COMMAND"] + + # Detect if dataset_or_path is an LMDB directory + if isinstance(dataset_or_path, str) and os.path.isdir(dataset_or_path): + # LMDB mode - no CSV generation needed + (output_file, json_file) = generate_json_file_for_lmdb( + lmdb_path=dataset_or_path, + strains=strains, + x_vals=trait_vals, + method=method, + tmp_dir=tmpdir + ) + else: + # Legacy CSV mode + (tmp_dir_path, tmp_file) = generate_input_files(dataset_or_path, tmpdir) + (output_file, json_file) = generate_json_file( + tmp_dir=tmp_dir_path, + tmp_file=tmp_file, + method=method, + delimiter=delimiter, + x_vals=trait_vals + ) + + # Execute Rust binary + command_list = [correlation_command, json_file, tmpdir] + subprocess.run(command_list, check=True, capture_output=True) + + return parse_correlation_output(output_file, corr_type, top_n) +#+END_SRC + +* GN2 Integration + +**Modified `__compute_sample_corr__`:** + +#+BEGIN_SRC python +def __compute_sample_corr__(start_vars, corr_type, method, n_top, + target_trait_info, tmpdir): + """Compute sample correlations using LMDB when available""" + + (this_dataset, this_trait, target_dataset, _) = target_trait_info + + # Get sample data as dict {strain: value} + sample_data = get_sample_corr_data( + sample_type=start_vars["corr_samples_group"], + sample_data=json.loads(start_vars["sample_vals"]), + dataset_samples=this_dataset.group.all_samples_ordered() + ) + + if not sample_data: + return {} + + # Extract values and strains + sample_values = list(sample_data.values()) # [1.2, 3.4, 5.6] + sample_strains = list(sample_data.keys()) # ["BXD1", "BXD2", "BXD5"] + + # Check if LMDB exists for target dataset + lmdb_path = get_lmdb_path(target_dataset.name) + + if lmdb_path and os.path.exists(lmdb_path): + # FAST PATH: Use LMDB directly + return run_correlation( + lmdb_path, # Path to LMDB directory + sample_values, # x values + sample_strains, # strain names for x values + method, + ",", + tmpdir, + corr_type=corr_type, + top_n=n_top + ) + else: + # FALLBACK: Use legacy CSV mode (fetches from DB) + target_dataset.get_trait_data(list(sample_data.keys())) + target_data = format_as_csv_rows(target_dataset.trait_data) + + return run_correlation( + target_data, + sample_values, + sample_strains, + method, + ",", + tmpdir, + corr_type=corr_type, + top_n=n_top + ) +#+END_SRC + +**Helper: `get_lmdb_path`** + +#+BEGIN_SRC python +def get_lmdb_path(dataset_name: str) -> Optional[str]: + """Get LMDB path for a dataset if available""" + + # Option 1: Check configured LMDB directory + lmdb_base = current_app.config.get("LMDB_DATA_PATH", "/var/lmdb_data") + lmdb_path = os.path.join(lmdb_base, dataset_name) + + if os.path.isdir(lmdb_path): + return lmdb_path + + # Option 2: Could query database for LMDB location + # with database_connection(SQL_URI) as conn: + # cursor.execute("SELECT lmdb_path FROM DatasetLMDB WHERE name = %s", + # (dataset_name,)) + # result = cursor.fetchone() + # if result and os.path.isdir(result[0]): + # return result[0] + + return None +#+END_SRC + +* Suggested Improvements to lmdb_metadata.py + +The current LMDB dumper works well, but could be enhanced to better support +strain-based correlation: + +**1. Add Strain Index Mapping to Metadata** + +Current metadata has: +#+BEGIN_SRC python +{ + "strains": ["BXD1", "BXD2", "BXD5", ...], + "columns": 50 +} +#+END_SRC + +Suggested addition: +#+BEGIN_SRC python +{ + "strains": ["BXD1", "BXD2", "BXD5", ...], + "strain_indices": { # NEW + "BXD1": 0, + "BXD2": 1, + "BXD5": 2, + ... + }, + "columns": 50 +} +#+END_SRC + +**Benefits:** +- O(1) strain lookup in Rust (no need to build HashMap) +- Validates strain order at dump time +- Self-documenting format + +**Implementation in batch_lmdb_metadata.py:** + +#+BEGIN_SRC python +def build_metadata(probeset: ProbeSetMatrix, dataset_info: DatasetInfo) -> dict: + """Derive metadata with strain indices for fast lookup""" + rows, columns = probeset.matrix.shape + + # Build strain index mapping + strain_indices = {strain: idx for idx, strain in enumerate(probeset.strains)} + + return { + "rows": rows, + "columns": columns, + "dtype": str(probeset.matrix.dtype), + "order": "C", + "endian": "little", + "traits": probeset.traits, + "strains": probeset.strains, + "strain_indices": strain_indices, # NEW + "transposed": False, + "has_se": probeset.se_matrix is not None, + "dataset_id": dataset_info.id, + "dataset_name": dataset_info.name, + ... + } +#+END_SRC + +**2. Validate Strain Order Consistency** + +Add validation to ensure strain order matches expected order: + +#+BEGIN_SRC python +def validate_strain_order(strains: list[str], dataset_name: str) -> None: + """Validate that strains are in expected order for this dataset""" + + # Could check against a canonical strain order for the species/group + expected_order = get_expected_strains(dataset_name) + + if expected_order and set(strains) != set(expected_order): + logger.warning( + f"Strain mismatch in {dataset_name}: " + f"expected {len(expected_order)} strains, got {len(strains)}" + ) + + # Ensure no duplicates + if len(strains) != len(set(strains)): + raise ValueError(f"Duplicate strains found in {dataset_name}") +#+END_SRC + +**3. Add Dataset Registry** + +Create an index file for all dumped datasets: + +#+BEGIN_SRC python +def create_dataset_registry(lmdb_base_path: str, datasets: list[DatasetInfo]) -> None: + """Create registry.json for fast dataset lookup""" + + registry = { + "created": datetime.now().isoformat(), + "datasets": { + d.name: { + "path": os.path.join(lmdb_base_path, d.name), + "id": d.id, + "traits": d.trait_count, + "strains": d.strain_count, + "created": d.create_time + } + for d in datasets + } + } + + with open(os.path.join(lmdb_base_path, "registry.json"), "w") as f: + json.dump(registry, f, indent=2) +#+END_SRC + +**Benefits:** +- GN2/GN3 can quickly check if LMDB exists without filesystem scan +- Can validate strain compatibility before calling Rust +- Enables dataset discovery + +**4. Store Strain-Specific Metadata** + +For datasets with many strains, consider storing per-strain statistics: + +#+BEGIN_SRC python +{ + "strain_stats": { + "BXD1": {"mean": 5.2, "std": 1.3, "missing": 0.02}, + "BXD2": {"mean": 5.5, "std": 1.1, "missing": 0.01}, + ... + } +} +#+END_SRC + +This could help with: +- Quality control (detect outlier strains) +- Pre-computed normalization +- Missing value handling strategies + +**5. Add Checksum for Data Integrity** + +Add MD5 checksum of matrix data to detect corruption: + +#+BEGIN_SRC python +import hashlib + +def add_checksum(metadata: dict, matrix_bytes: bytes) -> dict: + """Add data checksum for integrity verification""" + metadata["matrix_checksum"] = hashlib.md5(matrix_bytes).hexdigest() + metadata["matrix_size_bytes"] = len(matrix_bytes) + return metadata +#+END_SRC + +* Data Flow Summary + +**Complete Flow with LMDB Optimization:** + +#+BEGIN_SRC +User Request (GN2 Web) + │ + ▼ +┌─────────────────┐ +│ GN2: Get sample │ +│ data from form │ +│ {strain: value} │ +└────────┬────────┘ + │ + ▼ +┌──────────────────────────┐ +│ Check LMDB availability │ +│ get_lmdb_path(dataset) │ +└────────┬─────────────────┘ + │ + ┌────┴────┐ + │ │ + ▼ ▼ +LMDB No LMDB +exists │ + │ ▼ + │ Fetch from MySQL + │ (slow path) + │ + ▼ +┌─────────────────────────────┐ +│ GN3: run_correlation( │ +│ lmdb_path, │ +│ x_vals=[1.2, 3.4, 5.6], │ +│ strains=["BXD1",...], │ +│ method="pearson" │ +│ ) │ +└────────┬────────────────────┘ + │ + ▼ +┌─────────────────────────────┐ +│ Generate JSON: │ +│ { │ +│ "file_path": "/lmdb/...", │ +│ "x_vals": [1.2, 3.4, 5.6],│ +│ "strains": ["BXD1",...], │ +│ "method": "pearson" │ +│ } │ +└────────┬────────────────────┘ + │ + ▼ +┌─────────────────────────────┐ +│ Rust: correlation_rust │ +│ │ +│ 1. Detect file_path is dir │ +│ 2. Open LMDB │ +│ 3. Read metadata │ +│ 4. Map strains to columns │ +│ 5. Iterate traits │ +│ 6. Extract columns by index │ +│ 7. Correlate │ +└────────┬────────────────────┘ + │ + ▼ + Results file + │ + ▼ + Return to GN2 +#+END_SRC + +* Backward Compatibility + +**Important:** The changes maintain backward compatibility: + +1. **Rust:** `strains` field is `Option>` - if not provided, + uses all columns (legacy behavior) + +2. **GN3:** Can detect if running in LMDB mode (path is directory) vs + CSV mode (path is file or data is list) + +3. **GN2:** Falls back to MySQL if LMDB not available + +**Migration Strategy:** +1. Deploy LMDB dumps for common datasets +2. Update Rust to support strain selection +3. Update GN3 to pass strains +4. Update GN2 to check for LMDB first +5. 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Uses `file_type` field to determine mode: + /// - "csv" (default): Standard CSV mode + /// - "lmdb": LMDB mode with strain-based column extraction pub fn compute(tmp_file: &str) -> std::io::Result { let json_results = parser::JsonData::new(tmp_file); - //above should return a results - let x_vals: Vec = json_results.x_vals; - let computation_status = correlations::Compute::new( - json_results.file_delimiter, - &json_results.method, - &json_results.file_path, - &x_vals, - &json_results.output_file, - ) - .compute(); + // Determine mode based on file_type + let is_lmdb_mode = json_results.file_type == "lmdb"; - // let computation = correlations::Compute::filter_top(computation, 500); + let computation_status = if is_lmdb_mode { + // LMDB mode - requires strains for column extraction + let strains_ref = json_results.strains.as_deref(); + correlations::Compute::new_with_strains_parallel( + json_results.file_delimiter, + &json_results.method, + &json_results.file_path, + &x_vals, + &json_results.output_file, + strains_ref, + json_results.parallel, + ) + .compute() + } else { + // CSV mode (default) + correlations::Compute::new_with_strains_parallel( + json_results.file_delimiter, + &json_results.method, + &json_results.file_path, + &x_vals, + &json_results.output_file, + None, + json_results.parallel, + ) + .compute() + }; computation_status } } #[cfg(test)] - mod tests { + use super::*; + use std::io::Write; + #[test] fn test_sum() { assert_ne!(1, 5) } + + /// Test that Analysis::compute correctly handles strains from JSON + #[test] + fn test_analysis_with_strains() { + // Create a temporary JSON file with strains + let tmp_dir = std::env::temp_dir(); + let json_path = tmp_dir.join("test_with_strains.json"); + + { + let mut file = std::fs::File::create(&json_path).unwrap(); + file.write_all( + br#"{ + "file_path": "/tmp/test_lmdb/", + "x_vals": [1.0, 2.0, 3.0], + "strains": ["BXD1", "BXD2", "BXD5"], + "file_type": "lmdb", + "sample_values": "test", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_output.txt", + "parallel": false + }"# + ) + .unwrap(); + } + + // Verify JSON parsing works with strains + let json_data = parser::JsonData::new(json_path.to_str().unwrap()); + assert!(json_data.strains.is_some()); + assert_eq!(json_data.strains.as_ref().unwrap().len(), 3); + assert_eq!(json_data.strains.as_ref().unwrap()[0], "BXD1"); + assert_eq!(json_data.parallel, false); + + // Clean up + std::fs::remove_file(json_path).ok(); + } + + /// Test that Analysis::compute handles JSON without strains (backward compat) + #[test] + fn test_analysis_without_strains() { + let tmp_dir = std::env::temp_dir(); + let json_path = tmp_dir.join("test_without_strains.json"); + + { + let mut file = std::fs::File::create(&json_path).unwrap(); + file.write_all( + br#"{ + "file_path": "tests/data/db300.txt", + "x_vals": [1.0, 2.0, 3.0], + "sample_values": "test", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_output.txt" + }"# + ) + .unwrap(); + } + + let json_data = parser::JsonData::new(json_path.to_str().unwrap()); + assert!(json_data.strains.is_none()); + + std::fs::remove_file(json_path).ok(); + } } diff --git a/src/correlations.rs b/src/correlations.rs index 356bfcc..5274d8a 100644 --- a/src/correlations.rs +++ b/src/correlations.rs @@ -1,8 +1,8 @@ -use std::cmp::Ordering; - +use crate::lmdb_reader::LmdbReader; use crate::parser::parse_rows_with_names; use crate::reader::BufferReader; use crate::sorter::sort_write_to_file; +use std::cmp::Ordering; //way to parse the args use rgsl::{ @@ -84,14 +84,21 @@ impl Correlation for Spearman { } } +use rayon::prelude::*; + #[allow(dead_code)] #[derive(PartialEq, Debug)] pub struct Compute<'a> { x_vals: &'a [f64], + /// Optional strain names corresponding to x_vals indices. + /// Used for LMDB mode to extract correct columns from matrix. + strains: Option<&'a [String]>, dataset_path: &'a str, method: CorrelationMethod, file_delimiter: char, output_file: &'a str, + /// Enable parallel processing with rayon + parallel: bool, } #[allow(dead_code)] impl<'a> Compute<'a> { @@ -102,8 +109,31 @@ impl<'a> Compute<'a> { x_vals: &'a [f64], output_file: &'a str, ) -> Self { - //capitalize method/same cases + Self::new_with_strains_parallel(file_delimeter, method, dataset_path, x_vals, output_file, None, true) + } + /// Create Compute with strain names for LMDB column alignment. + pub fn new_with_strains( + file_delimeter: char, + method: &str, + dataset_path: &'a str, + x_vals: &'a [f64], + output_file: &'a str, + strains: Option<&'a [String]>, + ) -> Self { + Self::new_with_strains_parallel(file_delimeter, method, dataset_path, x_vals, output_file, strains, true) + } + + /// Create Compute with full control over parallelization. + pub fn new_with_strains_parallel( + file_delimeter: char, + method: &str, + dataset_path: &'a str, + x_vals: &'a [f64], + output_file: &'a str, + strains: Option<&'a [String]>, + parallel: bool, + ) -> Self { let method = match method.to_lowercase().as_str() { "pearson" => CorrelationMethod::Pearson, "spearman" => CorrelationMethod::Spearman, @@ -112,10 +142,12 @@ impl<'a> Compute<'a> { Self { x_vals, + strains, dataset_path, method, output_file, file_delimiter: file_delimeter, + parallel, } } @@ -135,6 +167,257 @@ impl<'a> Compute<'a> { pub fn compute(&self) -> std::io::Result { let mut corr_results: Vec<(String, f64, f64, i32)> = Vec::new(); + // NEW: Check if path is LMDB directory + if std::path::Path::new(self.dataset_path).is_dir() { + // Use LMDB reader + self.compute_from_lmdb(&mut corr_results)?; + } else { + // Use CSV reader (existing code) + self.compute_from_csv(&mut corr_results)?; + } + + sort_write_to_file(String::from(self.output_file), corr_results) + } + + // Compute correlations from LMDB with strain-based column extraction. + // If strains are specified, extracts only those columns. Otherwise uses all columns. + fn compute_from_lmdb( + &self, + corr_results: &mut Vec<(String, f64, f64, i32)>, + ) -> std::io::Result<()> { + let reader = LmdbReader::new(self.dataset_path) + .map_err(|e| std::io::Error::new(std::io::ErrorKind::Other, e.to_string()))?; + + // Read metadata to get strain order + let metadata = reader + .read_metadata() + .map_err(|e| std::io::Error::new(std::io::ErrorKind::Other, e.to_string()))?; + + // Build strain name -> column index mapping + let strain_to_idx: std::collections::HashMap<&str, usize> = metadata + .strains + .iter() + .enumerate() + .map(|(i, s)| (s.as_str(), i)) + .collect(); + + // STEP 1: Clean input - filter out NaN values from x_vals at the start + // This ensures we don't carry invalid data through the entire pipeline + let (clean_strains, clean_x_vals): (Option>, Vec) = match self.strains { + Some(strains) => { + // Validate strains array matches x_vals array + if strains.len() != self.x_vals.len() { + return Err(std::io::Error::new( + std::io::ErrorKind::InvalidInput, + format!( + "Array length mismatch: {} strains but {} x_vals. \ + strains and x_vals must have the same length and matching order.", + strains.len(), + self.x_vals.len() + ), + )); + } + + // Filter out NaN values from input, keeping track of valid strains + let mut valid_strains = Vec::new(); + let mut valid_x_vals = Vec::new(); + let mut nan_count = 0; + + for (i, (strain, x_val)) in strains.iter().zip(self.x_vals.iter()).enumerate() { + if x_val.is_nan() { + nan_count += 1; + continue; // Skip this sample - it has invalid input data + } + valid_strains.push(strain.clone()); + valid_x_vals.push(*x_val); + } + + if nan_count > 0 { + eprintln!( + "Warning: Filtered out {} samples with NaN x_vals. Using {} of {} input samples.", + nan_count, + valid_x_vals.len(), + self.x_vals.len() + ); + } + + (Some(valid_strains), valid_x_vals) + } + None => { + // No strains specified - filter NaN from x_vals only + let valid_x_vals: Vec = self.x_vals + .iter() + .copied() + .filter(|x| !x.is_nan()) + .collect(); + + let nan_count = self.x_vals.len() - valid_x_vals.len(); + if nan_count > 0 { + eprintln!( + "Warning: Filtered out {} samples with NaN x_vals. Using {} of {} input samples.", + nan_count, + valid_x_vals.len(), + self.x_vals.len() + ); + } + + (None, valid_x_vals) + } + }; + + // STEP 2: Validate we have enough valid samples after NaN filtering + if clean_x_vals.len() < 4 { + return Err(std::io::Error::new( + std::io::ErrorKind::InvalidInput, + format!( + "Insufficient valid samples: {} (need at least 4). \ + Input had {} samples, {} were NaN.", + clean_x_vals.len(), + self.x_vals.len(), + self.x_vals.len() - clean_x_vals.len() + ), + )); + } + + // STEP 3: Map strains to column indices, filtering out missing strains from dataset + let (column_indices, filtered_x_vals): (Vec, Vec) = match clean_strains { + Some(strains) => { + // Map strain names to their column indices, filtering out missing strains + let mut indices = Vec::new(); + let mut x_vals_filtered = Vec::new(); + + for (i, strain) in strains.iter().enumerate() { + if let Some(&idx) = strain_to_idx.get(strain.as_str()) { + indices.push(idx); + x_vals_filtered.push(clean_x_vals[i]); + } + } + + // Warn if some strains were dropped (not found in dataset) + if indices.len() != strains.len() { + eprintln!( + "Warning: Filtered out {} missing strains from dataset. \ + Using {} of {} requested strains.", + strains.len() - indices.len(), + indices.len(), + strains.len() + ); + } + + // Validate we still have enough samples after dataset filtering + if indices.len() < 4 { + return Err(std::io::Error::new( + std::io::ErrorKind::InvalidInput, + format!( + "Insufficient matching strains in dataset: {} (need at least 4). \ + Requested {} strains, {} found in dataset.", + indices.len(), + strains.len(), + indices.len() + ), + )); + } + + (indices, x_vals_filtered) + } + None => { + // No strains specified - use all columns (legacy mode) + // But still limited by clean_x_vals length + let n_samples = clean_x_vals.len().min(metadata.columns); + let indices: Vec = (0..n_samples).collect(); + let x_vals_filtered: Vec = clean_x_vals[..n_samples].to_vec(); + (indices, x_vals_filtered) + } + }; + + // Read all traits into memory for parallel processing + let traits_data: Vec<(String, Vec)> = reader + .iter_traits() + .map_err(|e| std::io::Error::new(std::io::ErrorKind::Other, e.to_string()))? + .collect(); + + // Use filtered_x_vals for correlation (already aligned with column_indices) + let x_vals_ref = &filtered_x_vals; + + if self.parallel { + // Parallel processing with rayon + let results: Vec<(String, f64, f64, i32)> = traits_data + .par_iter() + .filter_map(|(trait_name, full_row)| { + // Extract only the columns we need + let y_vals: Vec = column_indices + .iter() + .map(|&idx| full_row[idx]) + .collect(); + + // Filter out NaN values and align with x_vals + let mut parsed_x_vals = Vec::new(); + let mut parsed_y_vals = Vec::new(); + + for (i, &y_val) in y_vals.iter().enumerate() { + if i < x_vals_ref.len() && !y_val.is_nan() { + parsed_x_vals.push(x_vals_ref[i]); + parsed_y_vals.push(y_val); + } + } + + if parsed_x_vals.len() < 4 || parsed_y_vals.len() < 4 { + return None; + } + + let (rho, p_val) = if self.method == CorrelationMethod::Pearson { + Pearson::new(parsed_x_vals.len()).correlate(&parsed_x_vals, &parsed_y_vals) + } else { + Spearman::new(parsed_x_vals.len()).correlate(&parsed_x_vals, &parsed_y_vals) + }; + + Some((trait_name.clone(), rho, p_val, parsed_x_vals.len() as i32)) + }) + .collect(); + + corr_results.extend(results); + } else { + // Sequential processing + for (trait_name, full_row) in traits_data { + // Extract only the columns we need + let y_vals: Vec = column_indices + .iter() + .map(|&idx| full_row[idx]) + .collect(); + + // Filter out NaN values and align with x_vals + let mut parsed_x_vals = Vec::new(); + let mut parsed_y_vals = Vec::new(); + + for (i, &y_val) in y_vals.iter().enumerate() { + if i < x_vals_ref.len() && !y_val.is_nan() { + parsed_x_vals.push(x_vals_ref[i]); + parsed_y_vals.push(y_val); + } + } + + if parsed_x_vals.len() < 4 || parsed_y_vals.len() < 4 { + continue; + } + + let (rho, p_val) = if self.method == CorrelationMethod::Pearson { + Pearson::new(parsed_x_vals.len()).correlate(&parsed_x_vals, &parsed_y_vals) + } else { + Spearman::new(parsed_x_vals.len()).correlate(&parsed_x_vals, &parsed_y_vals) + }; + + corr_results.push((trait_name, rho, p_val, parsed_x_vals.len() as i32)); + } + } + + Ok(()) + } + + // REFACTORED: Existing CSV logic extracted to separate method + fn compute_from_csv( + &self, + corr_results: &mut Vec<(String, f64, f64, i32)>, + ) -> std::io::Result<()> { let reader = BufferReader::new(self.dataset_path); match reader { @@ -150,33 +433,27 @@ impl<'a> Compute<'a> { .collect::>(), ); if ty.x_vals.len() < 4 || ty.y_vals.len() < 4 { - // minimum number of acceptable trait values for - // computing the correlations continue; } let (key_name, parsed_x_val, parsed_y_val) = (ty.row_name, ty.x_vals, ty.y_vals); - if self.method == CorrelationMethod::Pearson { - let (rho, p_val) = Pearson::new(parsed_x_val.len()) - .correlate(&parsed_x_val, &parsed_y_val); - - corr_results.push((key_name, rho, p_val, parsed_x_val.len() as i32)); + let (rho, p_val) = if self.method == CorrelationMethod::Pearson { + Pearson::new(parsed_x_val.len()).correlate(&parsed_x_val, &parsed_y_val) } else { - let (rho, p_val) = Spearman::new(parsed_x_val.len()) - .correlate(&parsed_x_val, &parsed_y_val); + Spearman::new(parsed_x_val.len()) + .correlate(&parsed_x_val, &parsed_y_val) + }; - corr_results.push((key_name, rho, p_val, parsed_x_val.len() as i32)); - } + corr_results.push((key_name, rho, p_val, parsed_x_val.len() as i32)); } } } - - Err(err) => panic!("an error ocurrexxxxxxxxxxxxxxd {:?}", err), + Err(err) => panic!("an error occurred {:?}", err), } - sort_write_to_file(String::from(self.output_file), corr_results) + Ok(()) } } #[derive(PartialEq, Debug)] @@ -295,16 +572,20 @@ mod tests { Compute { file_delimiter: ',', x_vals: &[1., 3., 4., 5., 6., 7., 7.], + strains: None, dataset_path: "./notes.txt", output_file: "/output.txt", - method: CorrelationMethod::Spearman + method: CorrelationMethod::Spearman, + parallel: true, }, Compute { file_delimiter: ',', x_vals: &[1., 3., 4., 5., 6., 7., 7.], + strains: None, dataset_path: "./note2.txt", output_file: "/output.txt", - method: CorrelationMethod::Pearson + method: CorrelationMethod::Pearson, + parallel: true, } ], new_compute @@ -326,9 +607,11 @@ mod tests { Compute { file_delimiter: ',', x_vals: &[1.2, 1.4, 1.5], + strains: None, dataset_path: "/notes.txt", method: CorrelationMethod::Pearson, - output_file: "/output.txt" + output_file: "/output.txt", + parallel: true, } ) } @@ -415,4 +698,162 @@ mod tests { assert_eq!(new_vec, vec![(1.2, 1.0), (1.3, 0.5)]) } + + #[test] + fn test_compute_with_strains() { + let x_vals = [1.0, 2.0, 3.0]; + let strains = vec![ + String::from("strain_a"), + String::from("strain_b"), + String::from("strain_c"), + ]; + + let compute = Compute::new_with_strains( + ',', + "pearson", + "/path/to/lmdb", + &x_vals, + "/output.txt", + Some(&strains), + ); + + assert_eq!(compute.x_vals, &[1.0, 2.0, 3.0]); + assert_eq!(compute.strains, Some(&strains[..])); + assert_eq!(compute.dataset_path, "/path/to/lmdb"); + assert_eq!(compute.method, CorrelationMethod::Pearson); + } + + #[test] + fn test_compute_without_strains() { + let x_vals = [1.0, 2.0, 3.0]; + + let compute = Compute::new( + ',', + "spearman", + "/path/to/file.txt", + &x_vals, + "/output.txt", + ); + + assert_eq!(compute.x_vals, &[1.0, 2.0, 3.0]); + assert_eq!(compute.strains, None); // No strains for CSV mode + assert_eq!(compute.dataset_path, "/path/to/file.txt"); + assert_eq!(compute.method, CorrelationMethod::Spearman); + } + + // Note: Full LMDB integration tests require actual LMDB files. + // Run the following manual test when GSL library is available: + // + // cargo test test_lmdb_correlation -- --nocapture --ignored + // Or with custom path: LMDB_TEST_PATH=/custom/path cargo test test_lmdb_correlation -- --ignored + // + // To check available strains in your LMDB: + // python3 -c "import lmdb, json; env = lmdb.open('/path/to/lmdb'); txn = env.begin(); + // meta = json.loads(txn.get(b'probeset_metadata')); print(meta['strains'][:10])" + #[test] + #[ignore = "requires GSL library and LMDB dataset"] + fn test_lmdb_correlation_with_strains() { + use crate::lmdb_reader::LmdbReader; + use crate::lmdb_reader::LMDB_TEST_LOCK; + use std::path::Path; + use std::thread; + use std::time::Duration; + + let lmdb_path = std::env::var("LMDB_TEST_PATH") + .unwrap_or_else(|_| "/home/kabui/lmdb_data/HC_M2_0606_P/".to_string()); + if !Path::new(&lmdb_path).exists() { + panic!("LMDB test data not found at {}. Set LMDB_TEST_PATH env var.", lmdb_path); + } + + // Acquire lock to prevent parallel LMDB access + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + + // Read actual strains from LMDB metadata + let reader = LmdbReader::new(&lmdb_path).expect("Failed to open LMDB"); + let metadata = reader.read_metadata().expect("Failed to read metadata"); + + // Use first 6 strains from the actual dataset + if metadata.strains.len() < 6 { + panic!("LMDB has fewer than 6 strains: {}", metadata.strains.len()); + } + + let strains: Vec = metadata.strains.iter().take(6).cloned().collect(); + eprintln!("Using strains: {:?}", strains); + + // Drop reader to release LMDB lock before compute opens it again + drop(reader); + thread::sleep(Duration::from_millis(100)); + + // Create x_vals matching the number of strains + let x_vals: Vec = (0..strains.len()).map(|i| 10.0 + i as f64 * 5.5).collect(); + + let compute = Compute::new_with_strains( + ',', + "pearson", + &lmdb_path, + &x_vals, + "/tmp/test_output.txt", + Some(&strains), + ); + + let result = compute.compute(); + assert!(result.is_ok(), "LMDB correlation failed: {:?}", result); + + // Verify output file was created and has content + assert!(Path::new("/tmp/test_output.txt").exists()); + let output_content = std::fs::read_to_string("/tmp/test_output.txt").unwrap(); + assert!(!output_content.is_empty(), "Output file is empty"); + eprintln!("Correlation computed for {} traits", output_content.lines().count()); + } + + #[test] + #[ignore = "requires GSL library and LMDB dataset"] + fn test_lmdb_correlation_all_strains() { + use crate::lmdb_reader::LmdbReader; + use crate::lmdb_reader::LMDB_TEST_LOCK; + use std::path::Path; + use std::thread; + use std::time::Duration; + + let lmdb_path = std::env::var("LMDB_TEST_PATH") + .unwrap_or_else(|_| "/home/kabui/lmdb_data/HC_M2_0606_P/".to_string()); + if !Path::new(&lmdb_path).exists() { + panic!("LMDB test data not found at {}. Set LMDB_TEST_PATH env var.", lmdb_path); + } + + // Acquire lock to prevent parallel LMDB access + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + + // Read number of strains from metadata + let reader = LmdbReader::new(&lmdb_path).expect("Failed to open LMDB"); + let metadata = reader.read_metadata().expect("Failed to read metadata"); + let num_strains = metadata.columns; + + eprintln!("LMDB has {} strains", num_strains); + + // Drop reader to release LMDB lock + drop(reader); + thread::sleep(Duration::from_millis(100)); + + // Create x_vals for all strains + let x_vals: Vec = (0..num_strains).map(|i| 10.0 + i as f64 * 1.5).collect(); + + // Without strains - should use all columns (backward compatibility) + let compute = Compute::new( + ',', + "pearson", + &lmdb_path, + &x_vals, + "/tmp/test_output_all.txt", + ); + + let result = compute.compute(); + assert!(result.is_ok(), "LMDB correlation failed: {:?}", result); + + // Verify output + assert!(Path::new("/tmp/test_output_all.txt").exists()); + let output_content = std::fs::read_to_string("/tmp/test_output_all.txt").unwrap(); + assert!(!output_content.is_empty(), "Output file is empty"); + eprintln!("Correlation computed for {} traits", output_content.lines().count()); + } } diff --git a/src/lib.rs b/src/lib.rs index fc157b9..71d379f 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -1,5 +1,6 @@ pub mod analysis; pub mod correlations; +pub mod lmdb_reader; pub mod parser; pub mod reader; pub mod sorter; diff --git a/src/lmdb_reader.rs b/src/lmdb_reader.rs new file mode 100644 index 0000000..ff43305 --- /dev/null +++ b/src/lmdb_reader.rs @@ -0,0 +1,349 @@ +// this file contains code to read from ldmb file: + +use lmdb::{Database, Environment, Transaction}; +use serde::Deserialize; +use std::path::Path; + +/// Global lock for LMDB tests to prevent parallel access +/// LMDB doesn't support multiple concurrent readers from different environments +use std::sync::Mutex; +pub static LMDB_TEST_LOCK: Mutex<()> = Mutex::new(()); + +#[derive(Debug, Deserialize)] +pub struct LmdbMetadata { + pub rows: usize, + pub columns: usize, + pub dtype: String, + pub traits: Vec, + pub strains: Vec, + pub has_se: bool, + pub dataset_name: String, +} + +pub struct LmdbReader { + env: Environment, +} + +impl LmdbReader { + pub fn new(lmdb_path: &str) -> Result> { + let env = Environment::new() + .set_max_dbs(10) + .open(Path::new(lmdb_path))?; + + Ok(Self { env }) + } + + pub fn read_metadata(&self) -> Result> { + let db = self.env.open_db(None)?; + let txn = self.env.begin_ro_txn()?; + + let metadata_bytes = txn + .get(db, &b"probeset_metadata") + .map_err(|e| format!("Metadata not found: {}", e))?; + + let metadata: LmdbMetadata = serde_json::from_slice(metadata_bytes)?; + + Ok(metadata) + } + + pub fn read_matrix(&self) -> Result<(Vec>, Vec), Box> { + let db = self.env.open_db(None)?; + let txn = self.env.begin_ro_txn()?; + + // Read metadata + let metadata_bytes = txn.get(db, &b"probeset_metadata")?; + let metadata: LmdbMetadata = serde_json::from_slice(metadata_bytes)?; + + // Read matrix bytes + let matrix_bytes = txn.get(db, &b"probeset_matrix")?; + + // Convert bytes to f64 array + let float_count = metadata.rows * metadata.columns; + let mut floats = Vec::with_capacity(float_count); + + for chunk in matrix_bytes.chunks_exact(8) { + let bytes: [u8; 8] = chunk.try_into()?; + floats.push(f64::from_le_bytes(bytes)); + } + + // Reshape to 2D matrix (row-major order) + let mut matrix = Vec::with_capacity(metadata.rows); + for i in 0..metadata.rows { + let start = i * metadata.columns; + let end = start + metadata.columns; + matrix.push(floats[start..end].to_vec()); + } + + Ok((matrix, metadata.traits)) + } + + /// Read a single trait row by name + pub fn read_trait(&self, trait_name: &str) -> Result, Box> { + let db = self.env.open_db(None)?; + let txn = self.env.begin_ro_txn()?; + + // Read metadata + let metadata_bytes = txn.get(db, &b"probeset_metadata")?; + let metadata: LmdbMetadata = serde_json::from_slice(metadata_bytes)?; + + // Find trait index + let trait_idx = metadata + .traits + .iter() + .position(|t| t == trait_name) + .ok_or_else(|| format!("Trait '{}' not found", trait_name))?; + + // Read matrix bytes + let matrix_bytes = txn.get(db, &b"probeset_matrix")?; + + // Calculate byte offset for this row + let bytes_per_value = 8; // f64 is 8 bytes + let bytes_per_row = metadata.columns * bytes_per_value; + let offset = trait_idx * bytes_per_row; + + // Extract the row + let row_bytes = &matrix_bytes[offset..offset + bytes_per_row]; + let mut row = Vec::with_capacity(metadata.columns); + + for chunk in row_bytes.chunks_exact(8) { + let bytes: [u8; 8] = chunk.try_into()?; + row.push(f64::from_le_bytes(bytes)); + } + + Ok(row) + } + + /// Iterator-style reader for streaming through all traits + pub fn iter_traits(&self) -> Result> { + let metadata = self.read_metadata()?; + let db = self.env.open_db(None)?; + let txn = self.env.begin_ro_txn()?; + + let matrix_bytes = txn.get(db, &b"probeset_matrix")?.to_vec(); + + Ok(LmdbTraitIterator { + matrix_bytes, + metadata, + current_row: 0, + }) + } +} + +pub struct LmdbTraitIterator { + matrix_bytes: Vec, + metadata: LmdbMetadata, + current_row: usize, +} + +impl Iterator for LmdbTraitIterator { + type Item = (String, Vec); // (trait_name, values) + + fn next(&mut self) -> Option { + if self.current_row >= self.metadata.rows { + return None; + } + + let bytes_per_value = 8; + let bytes_per_row = self.metadata.columns * bytes_per_value; + let offset = self.current_row * bytes_per_row; + + let row_bytes = &self.matrix_bytes[offset..offset + bytes_per_row]; + let mut row = Vec::with_capacity(self.metadata.columns); + + for chunk in row_bytes.chunks_exact(8) { + let bytes: [u8; 8] = chunk.try_into().ok()?; + row.push(f64::from_le_bytes(bytes)); + } + + let trait_name = self.metadata.traits[self.current_row].clone(); + self.current_row += 1; + + Some((trait_name, row)) + } +} + +#[cfg(test)] +mod tests { + use super::*; + + /// Default LMDB path for tests. + /// Override with: LMDB_TEST_PATH=/custom/path cargo test + const DEFAULT_LMDB_PATH: &str = "/home/kabui/lmdb_data/HC_M2_0606_P/"; + + /// Get LMDB path from environment or use default + fn get_lmdb_path() -> String { + std::env::var("LMDB_TEST_PATH") + .unwrap_or_else(|_| DEFAULT_LMDB_PATH.to_string()) + } + + /// Helper to check if LMDB test data exists + fn lmdb_exists() -> bool { + std::path::Path::new(&get_lmdb_path()).exists() + } + + // Tests use the global LMDB_TEST_LOCK defined at module level + + #[test] + fn test_lmdb_reader() { + if !lmdb_exists() { + eprintln!("Skipping test: LMDB not found at {}", get_lmdb_path()); + return; + } + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + let reader = LmdbReader::new(&get_lmdb_path()); + assert!(reader.is_ok()); + } + + #[test] + fn test_read_metadata() { + if !lmdb_exists() { + eprintln!("Skipping test: LMDB not found at {}", get_lmdb_path()); + return; + } + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + let reader = LmdbReader::new(&get_lmdb_path()).unwrap(); + let metadata = reader.read_metadata(); + assert!(metadata.is_ok()); + + if let Ok(meta) = metadata { + println!("\n=== LMDB Metadata ==="); + println!("Dataset: {}", meta.dataset_name); + println!("Shape: {} traits × {} strains", meta.rows, meta.columns); + println!("Has SE: {}", meta.has_se); + println!("Dtype: {}", meta.dtype); + println!("\nFirst 5 traits:"); + for (i, trait_name) in meta.traits.iter().take(5).enumerate() { + println!(" {}: {}", i + 1, trait_name); + } + println!("\nFirst 10 strains:"); + for (i, strain) in meta.strains.iter().take(10).enumerate() { + println!(" {}: {}", i + 1, strain); + } + println!("===================\n"); + } + } + + #[test] + fn test_read_matrix_shape() { + if !lmdb_exists() { + eprintln!("Skipping test: LMDB not found at {}", get_lmdb_path()); + return; + } + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + let reader = LmdbReader::new(&get_lmdb_path()).unwrap(); + let result = reader.read_matrix(); + assert!(result.is_ok()); + + if let Ok((matrix, trait_names)) = result { + println!("\n=== Matrix Information ==="); + println!("Matrix rows (traits): {}", matrix.len()); + println!("Matrix cols (strains): {}", matrix[0].len()); + println!("Total elements: {}", matrix.len() * matrix[0].len()); + + println!("\n=== First 5 Traits (Top 10 values each) ==="); + for (i, row) in matrix.iter().take(5).enumerate() { + println!("\nTrait {}: {}", i + 1, trait_names[i]); + print!(" Values: "); + for (j, val) in row.iter().take(10).enumerate() { + if j > 0 { + print!(", "); + } + print!("{:.2}", val); + } + if row.len() > 10 { + print!(" ... ({} more)", row.len() - 10); + } + println!(); + } + + println!("\n=== Statistics for First Row ==="); + if !matrix.is_empty() && !matrix[0].is_empty() { + let first_row = &matrix[0]; + let min = first_row.iter().cloned().fold(f64::INFINITY, f64::min); + let max = first_row.iter().cloned().fold(f64::NEG_INFINITY, f64::max); + let sum: f64 = first_row.iter().sum(); + let mean = sum / first_row.len() as f64; + + println!(" Min: {:.2}", min); + println!(" Max: {:.2}", max); + println!(" Mean: {:.2}", mean); + } + println!("==========================\n"); + } + } + + #[test] + fn test_read_specific_trait() { + if !lmdb_exists() { + eprintln!("Skipping test: LMDB not found at {}", get_lmdb_path()); + return; + } + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + let reader = LmdbReader::new(&get_lmdb_path()).unwrap(); + let metadata = reader.read_metadata().unwrap(); + + if let Some(first_trait) = metadata.traits.first() { + println!("\n=== Reading Specific Trait ==="); + println!("Trait name: {}", first_trait); + + let result = reader.read_trait(first_trait); + // Drop reader to release LMDB lock before assertions + drop(reader); + // Release the lock after reader is dropped + drop(_lock); + + println!("the results are {:?}", result); + assert!(result.is_ok()); + + if let Ok(values) = result { + println!("Number of values: {}", values.len()); + println!("\nFirst 10 values:"); + for (i, val) in values.iter().take(10).enumerate() { + println!(" Strain {}: {:.2}", i + 1, val); + } + + let nan_count = values.iter().filter(|v| v.is_nan()).count(); + println!( + "\nNaN values: {} ({:.1}%)", + nan_count, + (nan_count as f64 / values.len() as f64) * 100.0 + ); + } + println!("==============================\n"); + } + } + + #[test] + fn test_iterator() { + if !lmdb_exists() { + eprintln!("Skipping test: LMDB not found at {}", get_lmdb_path()); + return; + } + let _lock = LMDB_TEST_LOCK.lock().unwrap(); + let reader = LmdbReader::new(&get_lmdb_path()).unwrap(); + let mut iter = reader.iter_traits().unwrap(); + // Drop reader to release LMDB lock - iter has its own copy of data + drop(reader); + // Release the lock after reader is dropped + drop(_lock); + + println!("\n=== Testing Iterator ==="); + println!("First 3 traits from iterator:\n"); + + for i in 0..3 { + if let Some((trait_name, values)) = iter.next() { + println!("{}. Trait: {}", i + 1, trait_name); + println!(" Values: {}", values.len()); + print!(" First 5: "); + for (j, val) in values.iter().take(5).enumerate() { + if j > 0 { + print!(", "); + } + print!("{:.2}", val); + } + println!(" ...\n"); + } + } + println!("========================\n"); + } +} diff --git a/src/parser.rs b/src/parser.rs index 9a22198..210e985 100644 --- a/src/parser.rs +++ b/src/parser.rs @@ -1,15 +1,32 @@ use serde::Deserialize; use std::io::Read; -#[derive(Debug, Deserialize, PartialEq)] -//#[serde(rename_all = "PascalCase")] +#[derive(Debug, Deserialize, PartialEq)] pub struct JsonData { pub file_path: String, pub x_vals: Vec, pub sample_values: String, + /// File type: "csv" or "lmdb". Default: "csv" + #[serde(default = "default_file_type")] + pub file_type: String, pub method: String, pub file_delimiter: char, pub output_file: String, + /// Optional strain names corresponding to x_vals indices. + /// Required for LMDB mode to extract correct columns. + #[serde(default)] + pub strains: Option>, + /// Enable parallel processing with rayon. Default: true + #[serde(default = "default_parallel")] + pub parallel: bool, +} + +fn default_file_type() -> String { + "csv".to_string() +} + +fn default_parallel() -> bool { + true } impl JsonData { @@ -167,8 +184,11 @@ mod tests { 6.72478, 5.72373, 73.47078, 63.74703, ], sample_values: String::from("bxd1"), + file_type: String::from("csv"), method: String::from("pearson"), file_delimiter: ',', + strains: None, + parallel: true, }; assert_eq!(k, json_struct) diff --git a/tests/data/check_strains.py b/tests/data/check_strains.py new file mode 100644 index 0000000..9547f6a --- /dev/null +++ b/tests/data/check_strains.py @@ -0,0 +1,74 @@ +#!/usr/bin/env python3 +"""Check available strains in an LMDB dataset. + +Usage: + python3 check_strains.py /path/to/lmdb/ + +Example: + python3 check_strains.py /home/kabui/lmdb_data/HC_M2_0606_P/ +""" + +import sys +import json + +try: + import lmdb +except ImportError: + print("Error: lmdb module not found. Install with: pip install lmdb") + sys.exit(1) + + +def check_strains(lmdb_path: str): + """Print strain information from LMDB metadata.""" + try: + env = lmdb.open(lmdb_path, readonly=True) + with env.begin() as txn: + raw = txn.get(b'probeset_metadata') + if raw is None: + print(f"Error: probeset_metadata not found in {lmdb_path}") + sys.exit(1) + + meta = json.loads(raw) + + print(f"Dataset: {meta.get('dataset_name', 'N/A')}") + print(f"Shape: {meta['rows']} traits × {meta['columns']} strains") + print() + + strains = meta.get('strains', []) + print(f"Available strains ({len(strains)} total):") + + # Check if using IDs or names + sample = strains[0] if strains else "" + is_numeric = sample.isdigit() if isinstance(sample, str) else False + + if is_numeric: + print("NOTE: This LMDB uses numeric strain IDs (old format).") + print(" Re-dump with updated batch_lmdb_metadata.py for names.\n") + else: + print("NOTE: This LMDB uses strain names (new format).\n") + + # Print first 20 strains + for i, s in enumerate(strains[:20]): + print(f' [{i:2d}] "{s}"') + + if len(strains) > 20: + print(f" ... and {len(strains) - 20} more") + + # If strain_id_to_name mapping exists, show it + if 'strain_id_to_name' in meta: + print("\nID to Name mapping (first 10):") + for i, (k, v) in enumerate(list(meta['strain_id_to_name'].items())[:10]): + print(f' {k} -> "{v}"') + + except Exception as e: + print(f"Error reading LMDB: {e}") + sys.exit(1) + + +if __name__ == "__main__": + if len(sys.argv) != 2: + print(__doc__) + print(f"Usage: {sys.argv[0]} /path/to/lmdb/") + sys.exit(1) + + check_strains(sys.argv[1]) diff --git a/tests/data/input_huge_lmdb.json b/tests/data/input_huge_lmdb.json new file mode 100644 index 0000000..cc08fc7 --- /dev/null +++ b/tests/data/input_huge_lmdb.json @@ -0,0 +1,16 @@ +{ + "_comment": "HUGE LMDB test - 2 million traits - PARALLEL mode", + "file_path": "/tmp/huge_lmdb", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703], + "strains": [ + "C57BL/6J", "DBA/2J", "A/J", "AKR/J", "BALB/cJ", "C3H/HeJ", + "129S1/SvImJ", "NOD/ShiLtJ", "NZO/HlLtJ", "CAST/EiJ", + "PWK/PhJ", "PWD/PhJ"], + "sample_values": "test_trait", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/huge_output_parallel.txt", + "parallel": true +} diff --git a/tests/data/input_huge_lmdb_sequential.json b/tests/data/input_huge_lmdb_sequential.json new file mode 100644 index 0000000..5ef955a --- /dev/null +++ b/tests/data/input_huge_lmdb_sequential.json @@ -0,0 +1,16 @@ +{ + "_comment": "HUGE LMDB test - 2 million traits - SEQUENTIAL mode", + "file_path": "/tmp/huge_lmdb", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703], + "strains": [ + "C57BL/6J", "DBA/2J", "A/J", "AKR/J", "BALB/cJ", "C3H/HeJ", + "129S1/SvImJ", "NOD/ShiLtJ", "NZO/HlLtJ", "CAST/EiJ", + "PWK/PhJ", "PWD/PhJ"], + "sample_values": "test_trait", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/huge_output_sequential.txt", + "parallel": false +} diff --git a/tests/data/input_large_lmdb.json b/tests/data/input_large_lmdb.json new file mode 100644 index 0000000..ca478a5 --- /dev/null +++ b/tests/data/input_large_lmdb.json @@ -0,0 +1,16 @@ +{ + "_comment": "Large LMDB test file - for performance testing with parallelization", + "file_path": "/tmp/large_lmdb", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703], + "strains": [ + "C57BL/6J", "DBA/2J", "A/J", "AKR/J", "BALB/cJ", "C3H/HeJ", + "129S1/SvImJ", "NOD/ShiLtJ", "NZO/HlLtJ", "CAST/EiJ", + "PWK/PhJ", "PWD/PhJ"], + "sample_values": "test_trait", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/large_output_parallel.txt", + "parallel": true +} diff --git a/tests/data/input_large_lmdb_sequential.json b/tests/data/input_large_lmdb_sequential.json new file mode 100644 index 0000000..3d8b3b4 --- /dev/null +++ b/tests/data/input_large_lmdb_sequential.json @@ -0,0 +1,16 @@ +{ + "_comment": "Large LMDB test file - SEQUENTIAL mode for comparison", + "file_path": "/tmp/large_lmdb", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703], + "strains": [ + "C57BL/6J", "DBA/2J", "A/J", "AKR/J", "BALB/cJ", "C3H/HeJ", + "129S1/SvImJ", "NOD/ShiLtJ", "NZO/HlLtJ", "CAST/EiJ", + "PWK/PhJ", "PWD/PhJ"], + "sample_values": "test_trait", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/large_output_sequential.txt", + "parallel": false +} diff --git a/tests/data/input_lmdb.json b/tests/data/input_lmdb.json new file mode 100644 index 0000000..413821c --- /dev/null +++ b/tests/data/input_lmdb.json @@ -0,0 +1,15 @@ +{ + "_comment": "Use strain NAMES from LMDB. Set parallel: false to disable rayon. Run: python3 check_strains.py /home/kabui/lmdb_data/HC_M2_0606_P/", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703], + "strains": [ + "BXD11", "BXD12", "BXD45", "BXD48", "BXD50", "BXD51", + "BXD55", "B6D2F1", "D2B6F1", "PWK/PhJ", "C57BL/6J", "DBA/2J"], + "sample_values": "bxd1", + "method": "pearson", + "file_delimiter": ",", + "output_file": "output.txt", + "parallel": true +} diff --git a/tests/data/input_lmdb_all_strains.json b/tests/data/input_lmdb_all_strains.json new file mode 100644 index 0000000..df3a48a --- /dev/null +++ b/tests/data/input_lmdb_all_strains.json @@ -0,0 +1,24 @@ +{ + "_comment": "Uses all 99 strains from HC_M2_0606_P dataset", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703, + 50.0, 55.0, 60.0, 65.0, 70.0, 75.0, 80.0, 85.0, + 15.0, 20.0, 25.0, 30.0, 35.0, 40.0, 45.0, 90.0, + 12.0, 18.0, 24.0, 28.0, 32.0, 36.0, 42.0, 48.0, + 52.0, 58.0, 62.0, 68.0, 72.0, 78.0, 82.0, 88.0, + 92.0, 96.0, 100.0, 8.0, 16.0, 4.0, 2.0, 1.0, + 3.0, 6.0, 9.0, 11.0, 13.0, 17.0, 19.0, 21.0, + 23.0, 27.0, 29.0, 31.0, 33.0, 37.0, 39.0, 41.0, + 43.0, 47.0, 49.0, 51.0, 53.0, 57.0, 59.0, 61.0, + 63.0, 67.0, 69.0, 71.0, 73.0, 77.0, 79.0, 81.0, + 83.0, 87.0, 89.0, 91.0, 93.0, 97.0, 99.0, 7.0, + 14.0, 26.0, 34.0, 46.0, 54.0, 66.0, 74.0, 86.0, 94.0 + ], + "sample_values": "bxd1", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/output_all_strains.txt", + "parallel": true +} diff --git a/tests/data/input_lmdb_full.json b/tests/data/input_lmdb_full.json new file mode 100644 index 0000000..98fe1db --- /dev/null +++ b/tests/data/input_lmdb_full.json @@ -0,0 +1,16 @@ +{ + "_comment": "Example LMDB correlation input using strain NAMES (not IDs). After re-dumping with updated batch_lmdb_metadata.py, strains will be actual names like 'C57BL/6J' instead of '1'.", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P/", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703 + ], + "strains": [ + "C57BL/6J", "DBA/2J", "BXD1", "BXD2", "BXD5", "BXD6", + "BXD8", "BXD9", "BXD11", "BXD12", "BXD14", "BXD15" + ], + "sample_values": "bxd1", + "method": "pearson", + "file_delimiter": ",", + "output_file": "output.txt" +} diff --git a/tests/data/input_lmdb_sequential.json b/tests/data/input_lmdb_sequential.json new file mode 100644 index 0000000..277e90f --- /dev/null +++ b/tests/data/input_lmdb_sequential.json @@ -0,0 +1,15 @@ +{ + "_comment": "Sequential mode test (parallel: false)", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 25.08439, 72.02225, 47.56293, 22.87893, 14.28721, 71.84655, + 87.81991, 84.86824, 6.72478, 5.72373, 73.47078, 63.74703], + "strains": [ + "BXD11", "BXD12", "BXD45", "BXD48", "BXD50", "BXD51", + "BXD55", "B6D2F1", "D2B6F1", "PWK/PhJ", "C57BL/6J", "DBA/2J"], + "sample_values": "bxd1", + "method": "pearson", + "file_delimiter": ",", + "output_file": "output_sequential.txt", + "parallel": false +} diff --git a/tests/data/input_missing_strains_all_missing.json b/tests/data/input_missing_strains_all_missing.json new file mode 100644 index 0000000..bd91564 --- /dev/null +++ b/tests/data/input_missing_strains_all_missing.json @@ -0,0 +1,20 @@ +{ + "_comment": "Test: All strains fake - should error or return empty. Expected overlap: 0", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 10.0, + 20.0, + 30.0 + ], + "strains": [ + "COMPLETELY", + "BOGUS", + "NONEXISTENT" + ], + "sample_values": "test_all_missing", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_all_missing_output.txt", + "parallel": true, + "file_type": "lmdb" +} \ No newline at end of file diff --git a/tests/data/input_missing_strains_half_missing.json b/tests/data/input_missing_strains_half_missing.json new file mode 100644 index 0000000..f10b84d --- /dev/null +++ b/tests/data/input_missing_strains_half_missing.json @@ -0,0 +1,30 @@ +{ + "_comment": "Test: 4 real strains, 4 fake strains - should drop fake ones. Expected overlap: 4", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 10.0, + 15.5, + 21.0, + 26.5, + 32.0, + 37.5, + 43.0, + 48.5 + ], + "strains": [ + "B6D2F1", + "FAKE_STRAIN_1", + "BXD11", + "NONEXISTENT", + "BXD45", + "BOGUS_STRAIN", + "PWK/PhJ", + "INVALID" + ], + "sample_values": "test_half_missing", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_half_missing_output.txt", + "parallel": true, + "file_type": "lmdb" +} \ No newline at end of file diff --git a/tests/data/input_missing_strains_mixed_case.json b/tests/data/input_missing_strains_mixed_case.json new file mode 100644 index 0000000..ce618f0 --- /dev/null +++ b/tests/data/input_missing_strains_mixed_case.json @@ -0,0 +1,22 @@ +{ + "_comment": "Test: Case sensitivity test - lowercase won't match. Expected overlap: 0", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 10.0, + 20.0, + 30.0, + 40.0 + ], + "strains": [ + "bxd11", + "BXD45", + "bxd48", + "B6D2F1" + ], + "sample_values": "test_mixed_case", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_mixed_case_output.txt", + "parallel": true, + "file_type": "lmdb" +} \ No newline at end of file diff --git a/tests/data/input_missing_strains_mostly_missing.json b/tests/data/input_missing_strains_mostly_missing.json new file mode 100644 index 0000000..08cb98e --- /dev/null +++ b/tests/data/input_missing_strains_mostly_missing.json @@ -0,0 +1,26 @@ +{ + "_comment": "Test: 1 real strain, 5 fake - minimal valid data. Expected overlap: 1", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 10.0, + 15.5, + 21.0, + 26.5, + 32.0, + 37.5 + ], + "strains": [ + "B6D2F1", + "FAKE_1", + "FAKE_2", + "FAKE_3", + "FAKE_4", + "FAKE_5" + ], + "sample_values": "test_mostly_missing", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_mostly_missing_output.txt", + "parallel": true, + "file_type": "lmdb" +} \ No newline at end of file diff --git a/tests/data/input_missing_strains_single_real.json b/tests/data/input_missing_strains_single_real.json new file mode 100644 index 0000000..ce240ae --- /dev/null +++ b/tests/data/input_missing_strains_single_real.json @@ -0,0 +1,20 @@ +{ + "_comment": "Test: Single valid strain - should fail minimum threshold. Expected overlap: 1", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 25.0, + 30.0, + 35.0 + ], + "strains": [ + "BXD11", + "NOT_REAL", + "ALSO_FAKE" + ], + "sample_values": "test_single_real", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/test_single_real_output.txt", + "parallel": true, + "file_type": "lmdb" +} \ No newline at end of file diff --git a/tests/data/input_self_correlation.json b/tests/data/input_self_correlation.json new file mode 100644 index 0000000..5990c31 --- /dev/null +++ b/tests/data/input_self_correlation.json @@ -0,0 +1,110 @@ +{ + "_comment": "Self-correlation test: correlating 1415670_at with itself should give ~1.0", + "file_path": "/home/kabui/lmdb_data/HC_M2_0606_P", + "x_vals": [ + 11.246, + 10.851, + 11.612, + 11.922, + 11.351, + 11.14, + 10.876, + 11.529, + 11.449, + 10.75, + 11.258, + 11.433, + 10.918, + 11.098, + 11.266, + 11.058, + 11.352, + 11.297, + 11.31, + 11.102, + 11.193, + 10.836, + 10.986, + 10.864, + 11.381, + 11.156, + 11.0, + 10.948, + 11.17, + 11.233, + 11.356, + 11.439, + 10.971, + 11.366, + 11.286, + 11.384, + 11.067, + 11.55, + 11.386, + 10.913, + 11.568, + 11.146, + 11.51, + 11.397, + 11.054, + 11.35, + 10.925, + 11.439, + 10.948, + 11.138, + 11.428, + 11.282, + 11.498, + 10.947, + 11.21, + 10.701, + 10.938, + 11.424, + 11.322, + 11.566, + 10.796, + 11.354, + 11.26, + 11.183, + 11.056, + 10.791, + 10.716, + 11.214, + 11.276, + 11.278, + 11.602, + 11.192, + 11.256, + 11.369, + 11.606, + 11.558, + 11.536, + 11.093, + 11.301, + 11.188, + 11.262, + 11.587, + 11.292, + 10.942, + 10.648, + 10.777, + 11.237, + 10.853, + 10.273, + 12.349, + 11.094, + 10.94, + 10.77, + 10.524, + 10.892, + 11.662, + 11.418, + 11.319, + 11.128 + ], + "sample_values": "1415670_at", + "method": "pearson", + "file_delimiter": ",", + "output_file": "/tmp/self_correlation_test.txt", + "parallel": true +} \ No newline at end of file