gtars-refget 0.8.0

Rust implementation of the refget standard for accessing reference sequences
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
//! FASTA import pipeline for RefgetStore.
//!
//! Contains the multithreaded FASTA import pipeline and cached metadata fast path.

use super::*;
use super::readonly::ReadonlyRefgetStore;

use std::collections::HashMap;
use std::path::Path;
use std::time::Instant;

use anyhow::{anyhow, Result};

use crate::collection::SequenceCollectionExt;
use crate::digest::{
    SequenceCollection, SequenceCollectionMetadata,
    SequenceEncoder, SequenceMetadata, SequenceRecord,
};
use crate::hashkeyable::HashKeyable;

// ============================================================================
// ReadonlyRefgetStore import methods
// ============================================================================

impl ReadonlyRefgetStore {
    /// Import a FASTA file into the store using a multithreaded pipeline.
    ///
    /// After the pipeline finishes, computes collection metadata, registers the
    /// collection, and inserts all sequences.
    pub fn add_sequence_collection_from_fasta<P: AsRef<Path>>(
        &mut self,
        file_path: P,
        opts: FastaImportOptions<'_>,
    ) -> Result<(SequenceCollectionMetadata, bool)> {
        use crossbeam_channel::bounded;
        use md5::Md5;
        use sha2::{Digest, Sha512};

        if !self.quiet {
            println!("Processing {}...", file_path.as_ref().display());
        }

        let pipeline_start = Instant::now();

        // Check for RGSI cache
        let use_cache = self.local_path.is_some();
        use crate::utils::PathExtension;
        let rgsi_path = file_path.as_ref().replace_exts_with("rgsi");
        let have_rgsi = use_cache && rgsi_path.exists();

        if have_rgsi {
            match self.add_fasta_with_cached_metadata(&file_path, &rgsi_path, opts, pipeline_start) {
                Ok(result) => return Ok(result),
                Err(_) => {
                    // Cache was stale/empty, fall through to pipeline
                }
            }
        }

        // --- Channel message types ---

        /// Threshold above which Thread 1 processes sequences inline
        const LARGE_SEQ_THRESHOLD: usize = 500 * 1024 * 1024; // 500 MB

        struct DecompressedSequence {
            name: String,
            description: Option<String>,
            raw_header: String,
            raw_bytes: Vec<u8>,
        }

        struct DigestedSequence {
            metadata: SequenceMetadata,
            raw_bytes: Vec<u8>,
            aliases: Vec<(String, String)>,
        }

        struct ReadySequence {
            metadata: SequenceMetadata,
            sequence_data: Vec<u8>,
            aliases: Vec<(String, String)>,
        }

        enum ToDigest {
            NeedsWork(DecompressedSequence),
            AlreadyDone(ReadySequence),
        }

        enum ToEncode {
            NeedsWork(DigestedSequence),
            AlreadyDone(ReadySequence),
        }

        // --- Set up channels ---
        let (decompress_tx, decompress_rx) = bounded::<ToDigest>(1);
        let (digest_tx, digest_rx) = bounded::<ToEncode>(1);

        let file_path_buf = file_path.as_ref().to_path_buf();
        let namespaces: Vec<String> = opts.namespaces.iter().map(|s| s.to_string()).collect();
        let ns_for_digest = namespaces.clone();

        // --- Thread 1: Read FASTA ---
        let quiet = self.quiet;
        let mode_for_t1 = self.mode;
        let decompress_handle = std::thread::spawn(move || -> Result<()> {
            use sha2::{Digest, Sha512};
            use md5::Md5;

            let mut fasta_reader = crate::fasta::FastaReader::from_path(&file_path_buf)?;

            while let Some(record) = fasta_reader.next_record()? {
                if record.raw_bytes.len() > LARGE_SEQ_THRESHOLD {
                    if !quiet {
                        println!(
                            "  Large sequence '{}' ({} MB) -- processing inline to reduce memory",
                            record.name,
                            record.raw_bytes.len() / (1024 * 1024),
                        );
                    }
                    let crate::fasta::FastaRecord { name, description, raw_header, raw_bytes } = record;

                    let mut sha512_hasher = Sha512::new();
                    sha512_hasher.update(&raw_bytes);
                    let sha512 = base64_url::encode(&sha512_hasher.finalize()[0..24]);

                    let mut md5_hasher = Md5::new();
                    md5_hasher.update(&raw_bytes);
                    let md5 = format!("{:x}", md5_hasher.finalize());

                    let mut guesser = crate::digest::AlphabetGuesser::new();
                    guesser.update(&raw_bytes);
                    let alphabet = guesser.guess();

                    let length = raw_bytes.len();
                    let sequence_data = match mode_for_t1 {
                        StorageMode::Encoded => {
                            let mut encoder = SequenceEncoder::new(alphabet, length);
                            encoder.update(&raw_bytes);
                            drop(raw_bytes);
                            encoder.finalize()
                        }
                        StorageMode::Raw => raw_bytes,
                    };

                    let metadata = SequenceMetadata {
                        name,
                        description,
                        length,
                        sha512t24u: sha512,
                        md5,
                        alphabet,
                        fai: None,
                    };

                    let aliases = if !namespaces.is_empty() {
                        let ns_refs: Vec<&str> = namespaces.iter().map(|s| s.as_str()).collect();
                        crate::digest::fasta::extract_aliases_from_header(&raw_header, &ns_refs)
                    } else {
                        vec![]
                    };

                    decompress_tx.send(ToDigest::AlreadyDone(ReadySequence {
                        metadata,
                        sequence_data,
                        aliases,
                    })).map_err(|_| anyhow!("Digest thread stopped receiving"))?;
                } else {
                    decompress_tx.send(ToDigest::NeedsWork(DecompressedSequence {
                        name: record.name,
                        description: record.description,
                        raw_header: record.raw_header,
                        raw_bytes: record.raw_bytes,
                    })).map_err(|_| anyhow!("Digest thread stopped receiving"))?;
                }
            }
            Ok(())
        });

        // --- Thread 2: Digest ---
        let digest_handle = std::thread::spawn(move || -> Result<()> {
            let ns_refs: Vec<&str> = ns_for_digest.iter().map(|s| s.as_str()).collect();

            for msg in decompress_rx {
                match msg {
                    ToDigest::NeedsWork(seq) => {
                        let mut sha512_hasher = Sha512::new();
                        sha512_hasher.update(&seq.raw_bytes);
                        let sha512 = base64_url::encode(&sha512_hasher.finalize()[0..24]);

                        let mut md5_hasher = Md5::new();
                        md5_hasher.update(&seq.raw_bytes);
                        let md5 = format!("{:x}", md5_hasher.finalize());

                        let mut guesser = crate::digest::AlphabetGuesser::new();
                        guesser.update(&seq.raw_bytes);
                        let alphabet = guesser.guess();

                        let metadata = SequenceMetadata {
                            name: seq.name,
                            description: seq.description,
                            length: seq.raw_bytes.len(),
                            sha512t24u: sha512,
                            md5,
                            alphabet,
                            fai: None,
                        };

                        let aliases = if !ns_refs.is_empty() {
                            crate::digest::fasta::extract_aliases_from_header(&seq.raw_header, &ns_refs)
                        } else {
                            vec![]
                        };

                        digest_tx.send(ToEncode::NeedsWork(DigestedSequence {
                            metadata,
                            raw_bytes: seq.raw_bytes,
                            aliases,
                        })).map_err(|_| anyhow!("Encode thread stopped receiving"))?;
                    }
                    ToDigest::AlreadyDone(ready) => {
                        digest_tx.send(ToEncode::AlreadyDone(ready))
                            .map_err(|_| anyhow!("Encode thread stopped receiving"))?;
                    }
                }
            }
            drop(digest_tx);
            Ok(())
        });

        // --- Thread 3 (main thread): Encode + stream to disk ---
        let mode = self.mode;
        let mut sequence_metadata: Vec<SequenceMetadata> = Vec::new();
        let mut all_aliases: Vec<(String, String, String)> = Vec::new();

        for msg in digest_rx {
            match msg {
                ToEncode::NeedsWork(digested) => {
                    let metadata = digested.metadata;
                    let aliases = digested.aliases;
                    let raw_bytes = digested.raw_bytes;

                    let sequence_data = match mode {
                        StorageMode::Encoded => {
                            let mut encoder = SequenceEncoder::new(metadata.alphabet, metadata.length);
                            encoder.update(&raw_bytes);
                            drop(raw_bytes);
                            encoder.finalize()
                        }
                        StorageMode::Raw => raw_bytes,
                    };

                    for (ns, alias_value) in &aliases {
                        all_aliases.push((ns.clone(), alias_value.clone(), metadata.sha512t24u.clone()));
                    }

                    self.add_sequence_record(
                        SequenceRecord::Full {
                            metadata: metadata.clone(),
                            sequence: sequence_data,
                        },
                        true,
                    )?;

                    sequence_metadata.push(metadata);
                }
                ToEncode::AlreadyDone(ready) => {
                    for (ns, alias_value) in &ready.aliases {
                        all_aliases.push((ns.clone(), alias_value.clone(), ready.metadata.sha512t24u.clone()));
                    }

                    self.add_sequence_record(
                        SequenceRecord::Full {
                            metadata: ready.metadata.clone(),
                            sequence: ready.sequence_data,
                        },
                        true,
                    )?;

                    sequence_metadata.push(ready.metadata);
                }
            }
        }

        // Join threads and propagate errors
        decompress_handle.join()
            .map_err(|e| anyhow!("Decompress thread panicked: {:?}", e))??;
        digest_handle.join()
            .map_err(|e| anyhow!("Digest thread panicked: {:?}", e))??;

        let pipeline_elapsed = pipeline_start.elapsed();

        // --- Post-pipeline: compute collection metadata, register ---
        let metadata_start = std::time::Instant::now();
        let seq_count = sequence_metadata.len();

        let stub_records: Vec<SequenceRecord> = sequence_metadata
            .iter()
            .map(|meta| SequenceRecord::Stub(meta.clone()))
            .collect();

        let mut seqcol_metadata = SequenceCollectionMetadata::from_sequences(
            &stub_records,
            Some(file_path.as_ref().to_path_buf()),
        );
        if self.ancillary_digests {
            seqcol_metadata.compute_ancillary_digests(&stub_records);
        }

        let coll_key = seqcol_metadata.digest.to_key();
        let coll_digest_display = seqcol_metadata.digest.clone();
        let metadata = seqcol_metadata.clone();
        let metadata_elapsed = metadata_start.elapsed();

        if !opts.force && self.collections.contains_key(&coll_key) {
            if !self.quiet {
                println!("Skipped {} (already exists)", coll_digest_display);
            }
            return Ok((metadata, false));
        }

        let index_start = std::time::Instant::now();

        // Write RGSI cache for next time
        if use_cache {
            let seqcol_for_cache = SequenceCollection {
                metadata: seqcol_metadata.clone(),
                sequences: stub_records.clone(),
            };
            let _ = seqcol_for_cache.write_collection_rgsi(&rgsi_path);
        }

        // Register the collection
        let seqcol = SequenceCollection {
            metadata: seqcol_metadata,
            sequences: stub_records,
        };
        self.add_sequence_collection_internal(seqcol, opts.force)?;

        // Register aliases
        for (ns, alias_value, sha512t24u) in &all_aliases {
            self.add_sequence_alias(ns, alias_value, sha512t24u)?;
        }

        // Populate name_lookup for already-written sequences
        for meta in &sequence_metadata {
            self.name_lookup
                .entry(coll_key)
                .or_default()
                .insert(meta.name.clone(), meta.sha512t24u.to_key());
        }
        let index_elapsed = index_start.elapsed();

        if !self.quiet {
            let total = pipeline_elapsed + metadata_elapsed + index_elapsed;
            println!(
                "Added {} {} seqs in {:.1}s ({:.1} proc | {:.1} meta | {:.1} index)",
                coll_digest_display,
                seq_count,
                total.as_secs_f64(),
                pipeline_elapsed.as_secs_f64(),
                metadata_elapsed.as_secs_f64(),
                index_elapsed.as_secs_f64(),
            );
        }

        Ok((metadata, true))
    }

    /// Fast path when RGSI cache exists: skip digesting, only decompress for encoding.
    fn add_fasta_with_cached_metadata<P: AsRef<Path>>(
        &mut self,
        file_path: P,
        rgsi_path: &Path,
        opts: FastaImportOptions<'_>,
        start_time: Instant,
    ) -> Result<(SequenceCollectionMetadata, bool)> {
        let mut seqcol = crate::collection::read_rgsi_file(rgsi_path)?;

        if seqcol.sequences.is_empty() {
            let _ = std::fs::remove_file(rgsi_path);
            return Err(anyhow!("Empty RGSI cache"));
        }
        let coll_key = seqcol.metadata.digest.to_key();
        let coll_digest_display = seqcol.metadata.digest.clone();

        if !opts.force && self.collections.contains_key(&coll_key) {
            if !self.quiet {
                println!("Skipped {} (already exists)", coll_digest_display);
            }
            return Ok((seqcol.metadata.clone(), false));
        }

        if self.ancillary_digests {
            seqcol.metadata.compute_ancillary_digests(&seqcol.sequences);
        }
        let metadata = seqcol.metadata.clone();

        let seqmeta_hashmap: HashMap<String, SequenceMetadata> = seqcol
            .sequences
            .iter()
            .map(|r| {
                let meta = r.metadata().clone();
                (meta.name.clone(), meta)
            })
            .collect();

        self.add_sequence_collection_internal(seqcol, opts.force)?;

        // Decompress and encode sequences
        let mut fasta_reader = crate::fasta::FastaReader::from_path(file_path.as_ref())?;
        let mut seq_count = 0;

        while let Some(record) = fasta_reader.next_record()? {
            let (name, _) = crate::fasta::parse_fasta_header(&record.raw_header);

            if !opts.namespaces.is_empty() {
                let aliases = crate::digest::fasta::extract_aliases_from_header(&record.raw_header, opts.namespaces);
                for (ns, alias_value) in aliases {
                    if let Some(meta) = seqmeta_hashmap.get(&name) {
                        self.add_sequence_alias(&ns, &alias_value, &meta.sha512t24u)?;
                    }
                }
            }

            let dr = seqmeta_hashmap
                .get(&name)
                .ok_or_else(|| anyhow!("Sequence '{}' not found in cached metadata", name))?
                .clone();

            seq_count += 1;

            let sequence_data = match self.mode {
                StorageMode::Encoded => {
                    let mut encoder = SequenceEncoder::new(dr.alphabet, dr.length);
                    encoder.update(&record.raw_bytes);
                    encoder.finalize()
                }
                StorageMode::Raw => record.raw_bytes,
            };

            self.add_sequence(
                SequenceRecord::Full { metadata: dr, sequence: sequence_data },
                coll_key,
                true,
            )?;
        }

        let elapsed = start_time.elapsed();
        if !self.quiet {
            println!(
                "Added {} ({} seqs) in {:.1}s [cached metadata]",
                coll_digest_display, seq_count, elapsed.as_secs_f64()
            );
        }

        Ok((metadata, true))
    }
}