biovault 0.1.79

A bioinformatics data vault CLI tool
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
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
use std::collections::HashMap;
use std::fmt::Write as _;
use std::fs;
use std::path::Path;

use anyhow::{anyhow, bail, Context, Result};
use serde::{Deserialize, Serialize};

macro_rules! wln {
    ($buf:expr) => {
        writeln!($buf).map_err(|e| anyhow!(e.to_string()))?
    };
    ($buf:expr, $($arg:tt)*) => {
        writeln!($buf, $($arg)*).map_err(|e| anyhow!(e.to_string()))?
    };
}

#[derive(Debug, Clone, Serialize, Deserialize)]
pub struct ProjectSpec {
    pub name: String,
    pub author: String,
    pub workflow: String,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub template: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub version: Option<String>,
    #[serde(default)]
    pub assets: Vec<String>,
    #[serde(default)]
    pub parameters: Vec<ParameterSpec>,
    #[serde(default)]
    pub inputs: Vec<InputSpec>,
    #[serde(default)]
    pub outputs: Vec<OutputSpec>,
}

#[derive(Debug, Clone, Serialize, Deserialize)]
pub struct ParameterSpec {
    pub name: String,
    #[serde(rename = "type")]
    pub raw_type: String,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub description: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub default: Option<serde_yaml::Value>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub choices: Option<Vec<String>>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub advanced: Option<bool>,
}

#[derive(Debug, Clone, Serialize, Deserialize)]
pub struct InputSpec {
    pub name: String,
    #[serde(rename = "type")]
    pub raw_type: String,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub description: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub format: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub path: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub mapping: Option<HashMap<String, String>>,
}

#[derive(Debug, Clone, Serialize, Deserialize)]
pub struct OutputSpec {
    pub name: String,
    #[serde(rename = "type")]
    pub raw_type: String,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub description: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub format: Option<String>,
    #[serde(default, skip_serializing_if = "Option::is_none")]
    pub path: Option<String>,
}

#[derive(Debug, Clone)]
#[allow(dead_code)]
enum ParameterType {
    String,
    Bool,
    Enum(Vec<String>),
}

#[derive(Debug, Clone)]
enum TypeExpr {
    String,
    Bool,
    File,
    Directory,
    ParticipantSheet,
    GenotypeRecord,
    BiovaultContext,
    #[allow(dead_code)]
    List(Box<TypeExpr>),
    #[allow(dead_code)]
    Map(Box<TypeExpr>),
    Optional(Box<TypeExpr>),
}

impl ProjectSpec {
    pub fn load(path: &Path) -> Result<Self> {
        let raw = fs::read_to_string(path)
            .with_context(|| format!("Failed to read project spec at {}", path.display()))?;
        let spec: ProjectSpec = serde_yaml::from_str(&raw)
            .with_context(|| format!("Failed to parse project spec at {}", path.display()))?;
        Ok(spec)
    }
}

pub fn scaffold_from_spec(mut spec: ProjectSpec, target_dir: &Path) -> Result<ProjectSpec> {
    if target_dir.exists() {
        if target_dir.is_file() {
            bail!("Target {} exists and is a file", target_dir.display());
        }
        if target_dir.read_dir()?.next().is_some() {
            bail!("Target directory {} is not empty", target_dir.display());
        }
    } else {
        fs::create_dir_all(target_dir)
            .with_context(|| format!("Failed to create directory {}", target_dir.display()))?;
    }

    if spec.name.trim().is_empty() {
        bail!("Spec 'name' field cannot be empty");
    }
    if spec.author.trim().is_empty() {
        bail!("Spec 'author' field cannot be empty");
    }
    if spec.workflow.trim().is_empty() {
        bail!("Spec 'workflow' field cannot be empty");
    }

    let template_name = spec
        .template
        .clone()
        .unwrap_or_else(|| "dynamic-nextflow".to_string());
    spec.template = Some(template_name);

    let project_yaml_path = target_dir.join("project.yaml");
    let workflow_path = target_dir.join(&spec.workflow);
    let assets_dir = target_dir.join("assets");

    let yaml = serde_yaml::to_string(&spec).context("Failed to serialize project spec")?;
    fs::write(&project_yaml_path, yaml).context("Failed to write project.yaml")?;

    if let Some(parent) = workflow_path.parent() {
        fs::create_dir_all(parent)
            .with_context(|| format!("Failed to create directory {}", parent.display()))?;
    }
    let workflow_contents = generate_workflow_stub(&spec)?;
    fs::write(&workflow_path, workflow_contents).context("Failed to write workflow stub")?;

    // Note: template.nf is NOT written to project folder - it's a security boundary
    // Templates are installed in ~/.biovault/env/{template_name}/ and loaded at runtime

    fs::create_dir_all(&assets_dir).context("Failed to create assets directory")?;
    for asset in &spec.assets {
        if asset.trim().is_empty() {
            continue;
        }
        let asset_path = assets_dir.join(asset);
        if let Some(parent) = asset_path.parent() {
            fs::create_dir_all(parent)
                .with_context(|| format!("Failed to create directory {}", parent.display()))?;
        }
        if !asset_path.exists() {
            fs::write(&asset_path, format!("# TODO: populate {}\n", asset)).with_context(|| {
                format!(
                    "Failed to create asset placeholder {}",
                    asset_path.display()
                )
            })?;
        }
    }

    Ok(spec)
}

#[allow(dead_code)]
fn parse_parameter_type(spec: &ParameterSpec) -> Result<ParameterType> {
    match spec.raw_type.as_str() {
        "String" => Ok(ParameterType::String),
        "Bool" => Ok(ParameterType::Bool),
        other => {
            if let Some(inner) = other.strip_prefix("Enum[") {
                let inner = inner.strip_suffix(']').ok_or_else(|| {
                    anyhow!("Invalid Enum parameter type '{}': missing closing ]", other)
                })?;
                let choices: Vec<String> = inner
                    .split(',')
                    .map(|s| s.trim().to_string())
                    .filter(|s| !s.is_empty())
                    .collect();
                if choices.is_empty() {
                    bail!(
                        "Enum parameter '{}' must declare at least one choice",
                        spec.name
                    );
                }
                Ok(ParameterType::Enum(choices))
            } else {
                bail!(
                    "Unsupported parameter type '{}' for parameter '{}'. Supported: String, Bool, Enum[...]",
                    spec.raw_type,
                    spec.name
                )
            }
        }
    }
}

fn parse_type_expr(raw: &str) -> Result<TypeExpr> {
    let trimmed = raw.trim();
    let (base, optional) = if let Some(stripped) = trimmed.strip_suffix('?') {
        (stripped.trim(), true)
    } else {
        (trimmed, false)
    };

    let parsed = if let Some(inner) = base.strip_prefix("List[") {
        let inner = inner
            .strip_suffix(']')
            .ok_or_else(|| anyhow!("Invalid List type '{}': missing closing ]", raw))?;
        TypeExpr::List(Box::new(parse_type_expr(inner)?))
    } else if let Some(inner) = base.strip_prefix("Map[String,") {
        let inner = inner
            .strip_suffix(']')
            .ok_or_else(|| anyhow!("Invalid Map type '{}': missing closing ]", raw))?;
        let inner = inner.trim_start_matches(',').trim();
        if inner.is_empty() {
            bail!("Map type '{}' is missing value type", raw);
        }
        TypeExpr::Map(Box::new(parse_type_expr(inner)?))
    } else {
        match base {
            "String" => TypeExpr::String,
            "Bool" => TypeExpr::Bool,
            "File" => TypeExpr::File,
            "Directory" => TypeExpr::Directory,
            "ParticipantSheet" => TypeExpr::ParticipantSheet,
            "GenotypeRecord" => TypeExpr::GenotypeRecord,
            "BiovaultContext" => TypeExpr::BiovaultContext,
            other => bail!(
                "Unsupported type '{}' (supported primitives: String, Bool, File, Directory, ParticipantSheet, GenotypeRecord, BiovaultContext, List[..], Map[String, ..])",
                other
            ),
        }
    };

    if optional {
        Ok(TypeExpr::Optional(Box::new(parsed)))
    } else {
        Ok(parsed)
    }
}

pub fn validate_type_expr(raw: &str) -> Result<()> {
    parse_type_expr(raw).map(|_| ())
}

#[allow(dead_code)]
fn generate_template_nf(spec: &ProjectSpec) -> Result<String> {
    let mut buf = String::new();

    wln!(&mut buf, "nextflow.enable.dsl=2");
    wln!(&mut buf);

    wln!(
        &mut buf,
        "params.results_dir = params.results_dir ?: 'results'"
    );
    wln!(
        &mut buf,
        "params.work_flow_file = params.work_flow_file ?: 'workflow.nf'"
    );
    wln!(&mut buf);

    let mut param_names = Vec::new();
    for parameter in &spec.parameters {
        let kind = parse_parameter_type(parameter)?;
        let default_line = match (&kind, &parameter.default) {
            (ParameterType::String, Some(value)) => value.as_str().map(|s| {
                format!(
                    "params.{name} = params.{name} ?: '{value}'",
                    name = parameter.name,
                    value = s.replace('\'', "\\'")
                )
            }),
            (ParameterType::Bool, Some(value)) => value.as_bool().map(|boolean| {
                format!(
                    "params.{name} = (params.{name} == null ? {val} : params.{name})",
                    name = parameter.name,
                    val = boolean
                )
            }),
            (ParameterType::Enum(choices), Some(value)) => {
                if let Some(s) = value.as_str() {
                    if !choices.is_empty() && !choices.contains(&s.to_string()) {
                        return Err(anyhow!(
                            "Default '{}' for parameter '{}' is not one of {:?}",
                            s,
                            parameter.name,
                            choices
                        ));
                    }
                    Some(format!(
                        "params.{name} = params.{name} ?: '{value}'",
                        name = parameter.name,
                        value = s.replace('\'', "\\'")
                    ))
                } else {
                    None
                }
            }
            _ => None,
        };
        if let Some(line) = default_line {
            wln!(&mut buf, "{}", line);
        }
        param_names.push(parameter.name.clone());
    }

    wln!(&mut buf);
    if param_names.is_empty() {
        wln!(&mut buf, "def __bv_params = [:]");
    } else {
        wln!(&mut buf, "def __bv_params = [");
        for (idx, name) in param_names.iter().enumerate() {
            let suffix = if idx + 1 == param_names.len() {
                ""
            } else {
                ","
            };
            wln!(&mut buf, "    {}: params.{}{}", name, name, suffix);
        }
        wln!(&mut buf, "]");
    }
    wln!(&mut buf);

    wln!(&mut buf, "def __bv_deep_freeze(value) {{");
    wln!(&mut buf, "    if (value instanceof Map) {{");
    wln!(
        &mut buf,
        "        return value.collectEntries {{ k, v -> [k, __bv_deep_freeze(v)] }}.asImmutable()"
    );
    wln!(&mut buf, "    }}");
    wln!(&mut buf, "    if (value instanceof Collection) {{");
    wln!(
        &mut buf,
        "        return value.collect {{ __bv_deep_freeze(it) }}.asImmutable()"
    );
    wln!(&mut buf, "    }}");
    wln!(&mut buf, "    return value");
    wln!(&mut buf, "}}");
    wln!(&mut buf);

    wln!(&mut buf, "def __bv_context_base = [");
    wln!(&mut buf, "    run_id      : params.run_id,");
    wln!(&mut buf, "    datasite    : params.datasite,");
    wln!(&mut buf, "    user        : params.user,");
    wln!(&mut buf, "    run_timestamp: params.run_timestamp,");
    wln!(&mut buf, "    params      : __bv_params");
    wln!(&mut buf, "]");
    wln!(&mut buf, "    .findAll {{ it.value != null }}");
    wln!(
        &mut buf,
        "def context = __bv_deep_freeze(__bv_context_base)"
    );
    wln!(&mut buf);

    let mut argument_names = Vec::new();
    for input in &spec.inputs {
        let ty = parse_type_expr(&input.raw_type)?;
        if is_context_type(&ty) {
            continue;
        }
        wln!(
            &mut buf,
            "if (!params.containsKey('{}')) params.{} = null",
            input.name,
            input.name
        );
        let binding_line = generate_input_binding(&input.name, &ty);
        wln!(&mut buf, "{}", binding_line);
        if let Some(comment) = generate_input_comment(&ty) {
            wln!(&mut buf, "{}", comment);
        }
        wln!(&mut buf);
        argument_names.push(input.name.clone());
    }

    wln!(
        &mut buf,
        "include {{ USER }} from \"${{params.work_flow_file}}\""
    );
    wln!(&mut buf);

    wln!(&mut buf, "workflow {{");
    wln!(&mut buf, "    file(params.results_dir).mkdirs()");
    wln!(&mut buf);
    wln!(&mut buf, "    USER(");
    let mut call_args = vec!["context".to_string()];
    call_args.extend(argument_names.iter().cloned());
    for (idx, arg) in call_args.iter().enumerate() {
        let suffix = if idx + 1 == call_args.len() { "" } else { "," };
        wln!(&mut buf, "        {}{}", arg, suffix);
    }
    wln!(&mut buf, "    )");
    wln!(&mut buf, "}}");

    Ok(buf)
}

fn generate_workflow_stub(spec: &ProjectSpec) -> Result<String> {
    let mut buf = String::new();

    wln!(&mut buf, "nextflow.enable.dsl=2");
    wln!(&mut buf);

    wln!(&mut buf, "workflow USER {{");
    wln!(&mut buf, "    take:");
    wln!(&mut buf, "        context");
    let mut preview_inputs = Vec::new();
    for input in &spec.inputs {
        let ty = parse_type_expr(&input.raw_type)?;
        if is_context_type(&ty) {
            continue;
        }
        wln!(&mut buf, "        {}", input.name);
        preview_inputs.push((input.name.clone(), ty));
    }
    wln!(&mut buf);

    wln!(&mut buf, "    main:");
    wln!(
        &mut buf,
        "        println \"[bv] context params: ${{context.params}}\""
    );
    wln!(
        &mut buf,
        "        println \"[bv] context keys: ${{context.keySet()}}\""
    );
    for (name, ty) in &preview_inputs {
        for line in generate_preview_lines(name, ty, "        ") {
            wln!(&mut buf, "{}", line);
        }
    }
    if spec.outputs.is_empty() {
        wln!(
            &mut buf,
            "        // Emit outputs using 'emit' block when ready"
        );
    } else {
        wln!(&mut buf, "        // Emit declared outputs once produced");
        for output in &spec.outputs {
            wln!(
                &mut buf,
                "        // - {} ({})",
                output.name,
                output.raw_type
            );
        }
    }
    wln!(&mut buf, "}}");

    Ok(buf)
}

fn generate_preview_lines(name: &str, ty: &TypeExpr, indent: &str) -> Vec<String> {
    match ty {
        TypeExpr::String | TypeExpr::Bool => {
            vec![format!(r#"{indent}println "[bv] {name}: ${{{name}}}""#)]
        }
        TypeExpr::File | TypeExpr::Directory => vec![format!(
            r#"{indent}{name}.view {{ println "[bv] {name}: $it" }}"#
        )],
        TypeExpr::List(_) | TypeExpr::GenotypeRecord => vec![
            format!(r#"{indent}if ({name} instanceof Channel) {{"#),
            format!(r#"{indent}    {name}.view {{ println "[bv] {name} item -> $it" }}"#),
            format!(r#"{indent}}} else if ({name} != null) {{"#),
            format!(
                r#"{indent}    ({name} as List).take(5).each {{ println "[bv] {name} item -> $it" }}"#
            ),
            format!(r#"{indent}}} else {{"#),
            format!(r#"{indent}    println "[bv] {name}: (empty)""#),
            format!(r#"{indent}}}"#),
        ],
        TypeExpr::ParticipantSheet => vec![
            format!(r#"{indent}def __preview_{name} = {name}"#),
            format!(r#"{indent}if (__preview_{name}?.rows instanceof Channel) {{"#),
            format!(
                r#"{indent}    (__preview_{name}.rows as Channel).view {{ println "[bv] {name} row -> $it" }}"#
            ),
            format!(r#"{indent}}} else if (__preview_{name}?.rows) {{"#),
            format!(
                r#"{indent}    (__preview_{name}.rows as List).take(5).each {{ println "[bv] {name} row -> $it" }}"#
            ),
            format!(r#"{indent}}} else if (__preview_{name} instanceof Channel) {{"#),
            format!(r#"{indent}    __preview_{name}.view {{ println "[bv] {name} -> $it" }}"#),
            format!(r#"{indent}}} else if (__preview_{name} != null) {{"#),
            format!(r#"{indent}    println "[bv] {name}: ${{__preview_{name}}}""#),
            format!(r#"{indent}}} else {{"#),
            format!(r#"{indent}    println "[bv] {name}: (empty)""#),
            format!(r#"{indent}}}"#),
        ],
        TypeExpr::Map(_) => vec![format!(r#"{indent}println "[bv] {name}: ${{{name}}}""#)],
        TypeExpr::Optional(inner) => {
            let mut lines = Vec::new();
            lines.push(format!(r#"{indent}if ({name} != null) {{"#));
            for line in generate_preview_lines(name, inner, &(indent.to_owned() + "    ")) {
                lines.push(line);
            }
            lines.push(format!(r#"{indent}}} else {{"#));
            lines.push(format!(r#"{indent}    println "[bv] {name}: (null)""#));
            lines.push(format!(r#"{indent}}}"#));
            lines
        }
        TypeExpr::BiovaultContext => Vec::new(),
    }
}

#[allow(dead_code)]
fn generate_input_binding(name: &str, ty: &TypeExpr) -> String {
    match ty {
        TypeExpr::String => format!("def {name} = params.{name}"),
        TypeExpr::Bool => format!("def {name} = params.{name}"),
        TypeExpr::File => format!("def {name} = Channel.fromPath(params.{name})"),
        TypeExpr::Directory => format!("def {name} = Channel.fromPath(params.{name})"),
        TypeExpr::BiovaultContext => "def context = context".to_string(),
        TypeExpr::ParticipantSheet
        | TypeExpr::GenotypeRecord
        | TypeExpr::List(_)
        | TypeExpr::Map(_) => format!("def {name} = params.{name}"),
        TypeExpr::Optional(inner) => generate_input_binding(name, inner),
    }
}

#[allow(dead_code)]
fn generate_input_comment(ty: &TypeExpr) -> Option<String> {
    match ty {
        TypeExpr::ParticipantSheet => {
            Some("// TODO: Replace with sheet loader for ParticipantSheet".to_string())
        }
        TypeExpr::GenotypeRecord => {
            Some("// TODO: Map params value to GenotypeRecord channel".to_string())
        }
        TypeExpr::List(inner) => Some(format!(
            "// TODO: Populate List[{}] channel",
            describe_type(inner)
        )),
        TypeExpr::Map(inner) => Some(format!(
            "// TODO: Populate Map[String, {}] value",
            describe_type(inner)
        )),
        TypeExpr::Optional(inner) => generate_input_comment(inner),
        _ => None,
    }
}

#[allow(dead_code)]
fn describe_type(ty: &TypeExpr) -> String {
    match ty {
        TypeExpr::String => "String".to_string(),
        TypeExpr::Bool => "Bool".to_string(),
        TypeExpr::File => "File".to_string(),
        TypeExpr::Directory => "Directory".to_string(),
        TypeExpr::ParticipantSheet => "ParticipantSheet".to_string(),
        TypeExpr::GenotypeRecord => "GenotypeRecord".to_string(),
        TypeExpr::BiovaultContext => "BiovaultContext".to_string(),
        TypeExpr::List(inner) => format!("List[{}]", describe_type(inner)),
        TypeExpr::Map(inner) => format!("Map[String, {}]", describe_type(inner)),
        TypeExpr::Optional(inner) => format!("{}?", describe_type(inner)),
    }
}

fn is_context_type(ty: &TypeExpr) -> bool {
    match ty {
        TypeExpr::BiovaultContext => true,
        TypeExpr::Optional(inner) => is_context_type(inner),
        _ => false,
    }
}