rype 1.0.0-rc.1

High-performance genomic sequence classification using minimizer-based k-mer sketching in RY space
Documentation
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use anyhow::{anyhow, Result};
use clap::Parser;
use std::collections::HashSet;

use rype::parquet_index;
use rype::{ShardedInvertedIndex, ENABLE_TIMING};

mod commands;
mod logging;

use commands::{
    build_parquet_index_from_config, create_parquet_index_from_refs, inspect_matches,
    load_index_metadata, resolve_bucket_id, run_aggregate, run_classify, run_log_ratio,
    ClassifyAggregateArgs, ClassifyCommands, ClassifyLogRatioArgs, ClassifyRunArgs, Cli, Commands,
    CommonClassifyArgs, IndexCommands, InspectCommands,
};

// CLI argument definitions moved to commands/args.rs
// Index command handlers moved to commands/index.rs
// Classify command handlers moved to commands/classify.rs
// Inspect command handlers moved to commands/inspect.rs
// IoHandler moved to commands/helpers.rs

fn main() -> Result<()> {
    let args = Cli::parse();

    // Initialize logging based on verbose flag
    logging::init_logger(args.verbose);

    match args.command {
        Commands::Index(index_cmd) => match index_cmd {
            IndexCommands::Create {
                output,
                reference,
                kmer_size,
                window,
                salt,
                separate_buckets,
                max_shard_size,
                row_group_size,
                zstd,
                bloom_filter,
                bloom_fpp,
                timing,
            } => {
                // Enable timing diagnostics if requested
                if timing {
                    ENABLE_TIMING.store(true, std::sync::atomic::Ordering::Relaxed);
                }

                if !matches!(kmer_size, 16 | 32 | 64) {
                    return Err(anyhow!("K must be 16, 32, or 64 (got {})", kmer_size));
                }

                // Create Parquet inverted index directly
                let parquet_options = parquet_index::ParquetWriteOptions {
                    row_group_size,
                    compression: if zstd {
                        parquet_index::ParquetCompression::Zstd
                    } else {
                        parquet_index::ParquetCompression::Snappy
                    },
                    bloom_filter_enabled: bloom_filter,
                    bloom_filter_fpp: bloom_fpp,
                    write_page_statistics: true,
                };

                create_parquet_index_from_refs(
                    &output,
                    &reference,
                    kmer_size,
                    window,
                    salt,
                    separate_buckets,
                    max_shard_size,
                    Some(&parquet_options),
                )?;
            }

            IndexCommands::Stats { index } => {
                // Load Parquet index stats
                if !rype::is_parquet_index(&index) {
                    return Err(anyhow!(
                        "Index not found or not in Parquet format: {}\n\
                         Create an index with: rype index create -o index.ryxdi -r refs.fasta",
                        index.display()
                    ));
                }

                let sharded = ShardedInvertedIndex::open(&index)?;
                let manifest = sharded.manifest();

                println!("Index Stats for {:?}", index);
                println!("  K: {}", manifest.k);
                println!("  Window (w): {}", manifest.w);
                println!("  Salt: 0x{:x}", manifest.salt);
                println!("  Buckets: {}", manifest.bucket_names.len());
                println!("  Shards: {}", manifest.shards.len());
                println!("  Total minimizers: {}", manifest.total_minimizers);
                println!("  Total bucket references: {}", manifest.total_bucket_ids);
                if manifest.total_minimizers > 0 {
                    println!(
                        "  Avg buckets per minimizer: {:.2}",
                        manifest.total_bucket_ids as f64 / manifest.total_minimizers as f64
                    );
                }

                println!("  ------------------------------------------------");
                println!("  Shard distribution:");
                for shard in &manifest.shards {
                    println!(
                        "    Shard {}: {} minimizers, {} bucket refs",
                        shard.shard_id, shard.num_minimizers, shard.num_bucket_ids
                    );
                }

                println!("------------------------------------------------");
                let mut sorted_ids: Vec<_> = manifest.bucket_names.keys().collect();
                sorted_ids.sort();
                for id in sorted_ids {
                    let name = manifest
                        .bucket_names
                        .get(id)
                        .map(|s| s.as_str())
                        .unwrap_or("unknown");
                    let sources = manifest
                        .bucket_sources
                        .get(id)
                        .map(|v| v.len())
                        .unwrap_or(0);
                    println!("  Bucket {}: '{}' ({} sources)", id, name, sources);
                }
            }

            IndexCommands::BucketSourceDetail {
                index,
                bucket,
                paths,
                ids,
            } => {
                let metadata = load_index_metadata(&index)?;
                let bucket_id = resolve_bucket_id(&bucket, &metadata.bucket_names)?;
                let sources = metadata
                    .bucket_sources
                    .get(&bucket_id)
                    .ok_or_else(|| anyhow!("Bucket {} not found in index", bucket_id))?;

                if paths && ids {
                    return Err(anyhow!("Cannot have --paths and --ids"));
                }

                if paths {
                    let mut all_paths: HashSet<String> = HashSet::new();
                    for source in sources {
                        let parts: Vec<_> = source.split(rype::BUCKET_SOURCE_DELIM).collect();
                        let path = parts.first().unwrap().to_string();
                        all_paths.insert(path.clone());
                    }

                    for path in all_paths {
                        println!("{}", path);
                    }
                } else if ids {
                    let mut sorted_ids: Vec<_> = metadata.bucket_names.keys().collect();
                    sorted_ids.sort();
                    for id in sorted_ids {
                        println!("{}", id);
                    }
                } else {
                    for source in sources {
                        println!("{}", source);
                    }
                }

                // Display file statistics if available
                if let Some(ref all_stats) = metadata.bucket_file_stats {
                    if let Some(stats) = all_stats.get(&bucket_id) {
                        println!();
                        println!("File statistics (per-file total sequence lengths):");
                        println!("  Mean:   {:.1}", stats.mean);
                        println!("  Median: {:.1}", stats.median);
                        println!("  Stdev:  {:.1}", stats.stdev);
                        println!("  Min:    {:.1}", stats.min);
                        println!("  Max:    {:.1}", stats.max);
                    }
                }
            }

            IndexCommands::BucketAdd {
                index: _,
                reference: _,
            } => {
                return Err(anyhow!(
                    "bucket-add is not yet implemented for the Parquet index format.\n\
                     This feature is pending development. For now, re-create the index \
                     from scratch with all reference files."
                ));
            }

            IndexCommands::FromConfig {
                config,
                max_memory,
                row_group_size,
                bloom_filter,
                bloom_fpp,
                orient,
                timing,
                subtract_from,
            } => {
                // Enable timing diagnostics if requested
                if timing {
                    ENABLE_TIMING.store(true, std::sync::atomic::Ordering::Relaxed);
                }

                // Create parquet inverted index
                let options = parquet_index::ParquetWriteOptions {
                    row_group_size,
                    bloom_filter_enabled: bloom_filter,
                    bloom_filter_fpp: bloom_fpp,
                    ..Default::default()
                };

                // max_memory: 0 means "auto" (will be detected in the function)
                let max_memory_opt = if max_memory == 0 {
                    None
                } else {
                    Some(max_memory)
                };

                build_parquet_index_from_config(
                    &config,
                    max_memory_opt,
                    Some(&options),
                    orient,
                    subtract_from.as_deref(),
                )?;
            }

            IndexCommands::BucketAddConfig { config: _ } => {
                return Err(anyhow!(
                    "bucket-add-config is not yet implemented for the Parquet index format.\n\
                     This feature is pending development."
                ));
            }

            IndexCommands::Summarize { index: _ } => {
                return Err(anyhow!(
                    "summarize command is not available for Parquet indices.\n\
                     Use 'rype index stats -i <index>' to view index statistics."
                ));
            }

            IndexCommands::Merge {
                index_primary,
                index_secondary,
                output,
                subtract_from_primary,
                max_memory,
                row_group_size,
                zstd,
                bloom_filter,
                bloom_fpp,
                timing,
            } => {
                use rype::parquet_index::{merge, ParquetCompression, ParquetWriteOptions};

                // Enable timing diagnostics if requested
                if timing {
                    ENABLE_TIMING.store(true, std::sync::atomic::Ordering::Relaxed);
                }

                // Validate indices exist and are Parquet format
                if !rype::is_parquet_index(&index_primary) {
                    return Err(anyhow!(
                        "Primary index not found or not in Parquet format: {}",
                        index_primary.display()
                    ));
                }
                if !rype::is_parquet_index(&index_secondary) {
                    return Err(anyhow!(
                        "Secondary index not found or not in Parquet format: {}",
                        index_secondary.display()
                    ));
                }

                // Build write options
                let write_options = ParquetWriteOptions {
                    row_group_size,
                    compression: if zstd {
                        ParquetCompression::Zstd
                    } else {
                        ParquetCompression::Snappy
                    },
                    bloom_filter_enabled: bloom_filter,
                    bloom_filter_fpp: bloom_fpp,
                    write_page_statistics: true,
                };

                // Build merge options (verbose comes from global CLI flag)
                let merge_options = merge::MergeOptions {
                    subtract_from_primary,
                    verbose: args.verbose,
                };

                // Ensure output has .ryxdi extension (consistent with index from-config)
                let output_path = output.with_extension("ryxdi");

                // Perform the merge using streaming (memory-bounded) merge
                let stats = merge::merge_indices_streaming(
                    &index_primary,
                    &index_secondary,
                    &output_path,
                    &merge_options,
                    Some(max_memory),
                    Some(&write_options),
                )?;

                // Print summary (always, not just verbose)
                println!("Merge complete:");
                println!("  Output: {}", output_path.display());
                println!("  Total buckets: {}", stats.total_buckets);
                println!(
                    "  Total minimizer entries: {}",
                    stats.total_minimizer_entries
                );
                println!(
                    "  Primary: {} buckets, {} entries",
                    stats.primary_buckets, stats.primary_entries
                );
                if subtract_from_primary && stats.excluded_minimizers > 0 {
                    println!(
                        "  Secondary: {} buckets, {} entries (original: {}, removed: {})",
                        stats.secondary_buckets,
                        stats.secondary_entries,
                        stats.secondary_entries_original,
                        stats.secondary_entries_original - stats.secondary_entries
                    );
                    println!("  Excluded minimizers: {}", stats.excluded_minimizers);
                } else {
                    println!(
                        "  Secondary: {} buckets, {} entries",
                        stats.secondary_buckets, stats.secondary_entries
                    );
                }

                // Warn only if stats were present in at least one input but the
                // merged result may have partial coverage (one side lacked stats).
                {
                    use rype::ShardedInvertedIndex;
                    let p = ShardedInvertedIndex::open(&index_primary)?;
                    let s = ShardedInvertedIndex::open(&index_secondary)?;
                    let p_has = p.manifest().bucket_file_stats.is_some();
                    let s_has = s.manifest().bucket_file_stats.is_some();
                    if p_has != s_has {
                        eprintln!(
                            "Warning: only one input index has file statistics. \
                             The merged index will have partial file statistics \
                             (missing for buckets from the index without stats)."
                        );
                    } else if !p_has && !s_has {
                        eprintln!(
                            "Warning: neither input index has file statistics. \
                             The merged index will not contain per-bucket file length statistics."
                        );
                    }
                }
            }
        },

        Commands::Classify(classify_cmd) => match classify_cmd {
            ClassifyCommands::Run {
                index,
                negative_index,
                r1,
                r2,
                threshold,
                max_memory,
                batch_size,
                output,
                parallel_rg,
                use_bloom_filter,
                parallel_input_rg,
                timing,
                best_hit,
                trim_to,
                minimum_length,
                wide,
            } => {
                // Enable timing diagnostics if requested
                if timing {
                    ENABLE_TIMING.store(true, std::sync::atomic::Ordering::Relaxed);
                }

                run_classify(ClassifyRunArgs {
                    common: CommonClassifyArgs {
                        index,
                        r1,
                        r2,
                        threshold,
                        max_memory,
                        batch_size,
                        output,
                        parallel_rg,
                        use_bloom_filter,
                        parallel_input_rg,
                        trim_to,
                        minimum_length,
                    },
                    negative_index,
                    best_hit,
                    wide,
                })?;
            }

            ClassifyCommands::Aggregate {
                index,
                negative_index,
                r1,
                r2,
                threshold,
                max_memory,
                batch_size,
                output,
            } => {
                run_aggregate(ClassifyAggregateArgs {
                    index,
                    negative_index,
                    r1,
                    r2,
                    threshold,
                    max_memory,
                    batch_size,
                    output,
                })?;
            }

            ClassifyCommands::LogRatio {
                numerator,
                denominator,
                r1,
                r2,
                max_memory,
                batch_size,
                output,
                parallel_rg,
                use_bloom_filter,
                parallel_input_rg,
                timing,
                trim_to,
                minimum_length,
                output_sequences,
                passing_is_positive,
                numerator_skip_threshold,
            } => {
                // Enable timing diagnostics if requested
                if timing {
                    ENABLE_TIMING.store(true, std::sync::atomic::Ordering::Relaxed);
                }

                run_log_ratio(ClassifyLogRatioArgs {
                    numerator,
                    denominator,
                    r1,
                    r2,
                    max_memory,
                    batch_size,
                    output,
                    parallel_rg,
                    use_bloom_filter,
                    parallel_input_rg,
                    trim_to,
                    minimum_length,
                    output_sequences,
                    passing_is_positive,
                    numerator_skip_threshold,
                })?;
            }
        },

        Commands::Inspect(inspect_cmd) => match inspect_cmd {
            InspectCommands::Matches {
                index,
                queries,
                ids,
                buckets,
            } => {
                inspect_matches(&index, &queries, &ids, &buckets)?;
            }
        },
    }

    Ok(())
}