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    moonjcamp

    JCAMP-DX spectral data interchange, checked ASDF decoding and offline validation for MoonBit

    jcamp-dx
    spectroscopy
    interchange
    validation
    Download zip
    Author
    Version
    0.1.0
    License
    MIT
    Repository
    Last updated
    15 hours ago
    Downloads
    10

    No dependencies

    #MoonJCAMP

    JCAMP-DX spectral data interchange and validation in MoonBit.

    MoonJCAMP 0.1.0 reads, checks and rewrites one-dimensional real spectra. It implements JCAMP-DX label records, scaled XYDATA and explicit pairs, AFFN/PAC/SQZ/DIF/DUP numbers, DIF checkpoints, and nested LINK documents. It includes metadata audits, compound split/combine, versioned JSON and CSV exchange, bounded transformations, quality admission and semantic comparison.

    This is a scoped implementation, not complete JCAMP-DX certification, an instrument driver, a full NMR processor or a chemical-identification system. See the compatibility profile and related work.

    #Install And Use

    Requires MoonBit compiler 0.10.16 or newer. The core has no third-party runtime dependencies and is tested on JavaScript and wasm-gc. The filesystem CLI also requires Node.js 24. Python/NumPy are test-only dependencies.

    moon add zbhzs1/moonjcamp@0.1.0

    Add "zbhzs1/moonjcamp" @jcamp to your package's import block in moon.pkg. The runnable MoonBit example demonstrates reading, cropping, writing and checking a spectrum:

    let spectra = @jcamp.read_spectra(text)
    let selected = @jcamp.crop(spectra[0], 1001.0, 1002.0)
    let output = @jcamp.write_spectrum(selected)

    These functions raise @jcamp.JcampError; catch @jcamp.Invalid(diagnostic) to obtain its stable error code and source line. inspect, audit, handle_request and protocol instead return diagnostic results.

    For the CLI, clone this repository and build once:

    git clone https://github.com/zbhzs1/moonjcamp.git
cd moonjcamp
moon build --target js --release
node bin/moonjcamp.mjs inspect examples/data/ir-compressed.jdx
node bin/moonjcamp.mjs to-json examples/data/ir-compressed.jdx --out spectrum.json
node bin/moonjcamp.mjs from-json spectrum.json --out normalized.jdx
node bin/moonjcamp.mjs verify examples/data/ir-compressed.jdx normalized.jdx
moon run examples/basic --target js

    Outputs are created exclusively: existing files are not overwritten. Exit codes are 0 for success, 1 for invalid data or rejected policy, and 2 for host I/O/usage failures. A split/CSV operation can leave partial new output files if the filesystem fails partway through; it does not provide a transaction. --protocol accepts bounded UTF-8 JSON on stdin and returns one result envelope.

    Three reproducible file workflows are in docs/workflows.md. Public API contracts and request examples are in docs/api.md.

    #Development

    MoonBit compiler 0.10.16 or later is required. The core uses only MoonBit's standard library. Node.js is the filesystem adapter for the portable CLI; Python is used only by independent tests.

    moon check --target js --deny-warn
moon test --target js
moon test --target wasm-gc
moon build --target js --release
node scripts/cli-test.mjs
python -m pip install numpy==2.4.4
python scripts/interop.py
node scripts/source-count.mjs

    #Scope And Sources

    The central task is standard file interchange: labels, data tables, compressed numeric streams, compound documents, and explicit diagnostics. General FFT, optical simulation, resampling, CSV conversion, and CLI wrappers are not claimed as novel algorithms. See docs/related.md.

    The CI checks formatting, strict type checking, building, JS/wasm-gc tests, both example targets, three complete CLI workflows, and a pinned independent Python reader/writer. Verification limits are in docs/verification.md.

    MIT licensed. Standards references, independent tools and external-data restrictions are listed in THIRD_PARTY.md.

    JcampError

    source
    pub(all) suberror JcampError {
      Invalid(Diagnostic)
    } derive(
    Debug    )

    AuditPolicy

    source
    pub(all) struct AuditPolicy {
      require_origin : Bool
      require_owner : Bool
      check_extrema : Bool
      check_nmr_metadata : Bool
      max_diagnostics : Int
    } derive(ToJson, 
    Debug    )

    AuditPolicy::default

    source
    fn AuditPolicy::default() -> AuditPolicy

    AuditPolicy::to_json

    source
    fn AuditPolicy::to_json(AuditPolicy) -> Json

    AuditPolicy::to_repr

    source

    AuditReport

    source
    pub(all) struct AuditReport {
      valid : Bool
      spectra : Int
      errors : Int
      warnings : Int
      truncated : Bool
      diagnostics : Array[Diagnostic]
    } derive(ToJson, 
    Debug    )

    AuditReport::to_json

    source
    fn AuditReport::to_json(AuditReport) -> Json

    AuditReport::to_repr

    source

    BatchInput

    source
    pub(all) struct BatchInput {
      name : String
      text : String
    } derive(ToJson, 
    Debug    )

    BatchInput::to_json

    source
    fn BatchInput::to_json(BatchInput) -> Json

    BatchInput::to_repr

    source

    BatchItem

    source
    pub(all) struct BatchItem {
      name : String
      accepted : Bool
      spectra : Array[Summary]
      diagnostics : Array[Diagnostic]
    } derive(ToJson, 
    Debug    )

    BatchItem::to_json

    source
    fn BatchItem::to_json(BatchItem) -> Json

    BatchItem::to_repr

    source

    BatchReport

    source
    pub(all) struct BatchReport {
      accepted : Int
      rejected : Int
      items : Array[BatchItem]
    } derive(ToJson, 
    Debug    )

    BatchReport::to_json

    source
    fn BatchReport::to_json(BatchReport) -> Json

    BatchReport::to_repr

    source

    Block

    source
    pub(all) struct Block {
      records : Array[Record]
      tables : Array[DataTable]
      children : Array[Block]
      start_line : Int
      end_line : Int
    } derive(ToJson, 
    Debug    )

    Block::to_json

    source
    fn Block::to_json(Block) -> Json

    Block::to_repr

    source

    Comparison

    source
    pub(all) struct Comparison {
      equivalent : Bool
      compared_points : Int
      issue_count : Int
      truncated : Bool
      issues : Array[ComparisonIssue]
    } derive(ToJson, 
    Debug    )

    Comparison::to_json

    source
    fn Comparison::to_json(Comparison) -> Json

    Comparison::to_repr

    source

    ComparisonIssue

    source
    pub(all) struct ComparisonIssue {
      code : String
      message : String
      spectrum : Int
      point : Int
    } derive(ToJson, 
    Debug    )

    ComparisonIssue::to_json

    source

    ComparisonIssue::to_repr

    source

    CsvBundle

    source
    pub(all) struct CsvBundle {
      csv : String
      metadata : Json
    } derive(ToJson, 
    Debug    )

    CsvBundle::to_json

    source
    fn CsvBundle::to_json(CsvBundle) -> Json

    CsvBundle::to_repr

    source

    DataLine

    source
    pub(all) struct DataLine {
      text : String
      line : Int
    } derive(Eq, ToJson, 
    Debug    )

    DataLine::equal

    source
    fn DataLine::equal(DataLine, DataLine) -> Bool

    DataLine::not_equal

    source
    fn DataLine::not_equal(x : DataLine, y : DataLine) -> Bool

    DataLine::to_json

    source
    fn DataLine::to_json(DataLine) -> Json

    DataLine::to_repr

    source

    DataTable

    source
    pub(all) struct DataTable {
      label : String
      descriptor : String
      rows : Array[DataLine]
      line : Int
    } derive(Eq, ToJson, 
    Debug    )

    DataTable::equal

    source
    fn DataTable::equal(DataTable, DataTable) -> Bool

    DataTable::not_equal

    source
    fn DataTable::not_equal(x : DataTable, y : DataTable) -> Bool

    DataTable::to_json

    source
    fn DataTable::to_json(DataTable) -> Json

    DataTable::to_repr

    source

    Diagnostic

    source
    pub(all) struct Diagnostic {
      severity : Severity
      code : String
      message : String
      line : Int
      column : Int
    } derive(Eq, ToJson, 
    Debug    )

    Diagnostic::equal

    source
    fn Diagnostic::equal(Diagnostic, Diagnostic) -> Bool

    Diagnostic::not_equal

    source
    fn Diagnostic::not_equal(x : Diagnostic, y : Diagnostic) -> Bool

    Diagnostic::to_json

    source
    fn Diagnostic::to_json(Diagnostic) -> Json

    Diagnostic::to_repr

    source

    Document

    source
    pub(all) struct Document {
      blocks : Array[Block]
    } derive(ToJson, 
    Debug    )

    Document::to_json

    source
    fn Document::to_json(Document) -> Json

    Document::to_repr

    source

    Encoding

    source
    pub(all) enum Encoding {
      Plain
      Packed
      Squeezed
      Difference
    } derive(Eq, ToJson, 
    Debug    )

    Encoding::equal

    source
    fn Encoding::equal(Encoding, Encoding) -> Bool

    Encoding::not_equal

    source
    fn Encoding::not_equal(x : Encoding, y : Encoding) -> Bool

    Encoding::to_json

    source
    fn Encoding::to_json(Encoding) -> Json

    Encoding::to_repr

    source

    Limits

    source
    pub(all) struct Limits {
      max_chars : Int
      max_lines : Int
      max_line_chars : Int
      max_records : Int
      max_blocks : Int
      max_depth : Int
      max_points : Int
      max_tokens_per_line : Int
    } derive(Eq, ToJson, 
    Debug    )

    Limits::default

    source
    fn Limits::default() -> Limits

    Limits::equal

    source
    fn Limits::equal(Limits, Limits) -> Bool

    Limits::not_equal

    source
    fn Limits::not_equal(x : Limits, y : Limits) -> Bool

    Limits::to_json

    source
    fn Limits::to_json(Limits) -> Json

    Limits::to_repr

    source

    MetadataEdit

    source
    pub(all) enum MetadataEdit {
      Set(String, String)
      Remove(String)
    } derive(
    Debug    )

    NumericMode

    source
    pub(all) enum NumericMode {
      Auto
      Affn
      Asdf
    } derive(Eq, ToJson, 
    Debug    )

    NumericMode::equal

    source
    fn NumericMode::equal(NumericMode, NumericMode) -> Bool

    NumericMode::not_equal

    source
    fn NumericMode::not_equal(x : NumericMode, y : NumericMode) -> Bool

    NumericMode::to_json

    source
    fn NumericMode::to_json(NumericMode) -> Json

    NumericMode::to_repr

    source

    ParseOptions

    source
    pub(all) struct ParseOptions {
      limits : Limits
      numeric_mode : NumericMode
      relative_tolerance : Double
      absolute_tolerance : Double
    } derive(ToJson, 
    Debug    )

    ParseOptions::default

    source
    fn ParseOptions::default() -> ParseOptions

    ParseOptions::to_json

    source

    ParseOptions::to_repr

    source

    Point

    source
    pub(all) struct Point {
      x : Double
      y : Double?
    } derive(Eq, 
    Debug    , 
    FromJson    )

    impl ToJson for Point

    Point::equal

    source
    fn Point::equal(Point, Point) -> Bool

    Point::from_json

    source

    Point::not_equal

    source
    fn Point::not_equal(x : Point, y : Point) -> Bool

    Point::to_json

    source
    fn Point::to_json(self : Point) -> Json

    Point::to_repr

    source

    QualityPolicy

    source
    pub(all) struct QualityPolicy {
      max_missing_fraction : Double
      require_monotone : Bool
      require_uniform : Bool
      min_points : Int
    } derive(ToJson, 
    Debug    )

    QualityPolicy::default

    source
    fn QualityPolicy::default() -> QualityPolicy

    QualityPolicy::to_json

    source

    QualityPolicy::to_repr

    source

    Record

    source
    pub(all) struct Record {
      label : String
      value : String
      line : Int
    } derive(Eq, ToJson, 
    Debug    , 
    FromJson    )

    Record::equal

    source
    fn Record::equal(Record, Record) -> Bool

    Record::from_json

    source

    Record::not_equal

    source
    fn Record::not_equal(x : Record, y : Record) -> Bool

    Record::to_json

    source
    fn Record::to_json(Record) -> Json

    Record::to_repr

    source

    Report

    source
    pub(all) struct Report {
      valid : Bool
      spectra : Int
      points : Int
      missing : Int
      diagnostics : Array[Diagnostic]
    } derive(ToJson, 
    Debug    )

    Report::to_json

    source
    fn Report::to_json(Report) -> Json

    Report::to_repr

    source

    Severity

    source
    pub(all) enum Severity {
      Error
      Warning
    } derive(Eq, ToJson, 
    Debug    )

    Severity::equal

    source
    fn Severity::equal(Severity, Severity) -> Bool

    Severity::not_equal

    source
    fn Severity::not_equal(x : Severity, y : Severity) -> Bool

    Severity::to_json

    source
    fn Severity::to_json(Severity) -> Json

    Severity::to_repr

    source

    Spectrum

    source
    pub(all) struct Spectrum {
      title : String
      data_type : String
      x_units : String
      y_units : String
      points : Array[Point]
      records : Array[Record]
      source_line : Int
    } derive(ToJson, 
    Debug    , 
    FromJson    )

    Summary

    source
    pub(all) struct Summary {
      title : String
      points : Int
      missing : Int
      x_min : Double
      x_max : Double
      y_min : Double?
      y_max : Double?
      y_mean : Double?
      direction : Int
      uniform : Bool
      longest_missing_run : Int
      diagnostics : Array[Diagnostic]
      accepted : Bool
    } derive(ToJson, 
    Debug    )

    Summary::to_json

    source
    fn Summary::to_json(Summary) -> Json

    Summary::to_repr

    source

    TableStyle

    source
    pub(all) enum TableStyle {
      Automatic
      Incremental
      Pairs
    } derive(Eq, ToJson, 
    Debug    )

    TableStyle::equal

    source
    fn TableStyle::equal(TableStyle, TableStyle) -> Bool

    TableStyle::not_equal

    source
    fn TableStyle::not_equal(x : TableStyle, y : TableStyle) -> Bool

    TableStyle::to_json

    source
    fn TableStyle::to_json(TableStyle) -> Json

    TableStyle::to_repr

    source

    WriteOptions

    source
    pub(all) struct WriteOptions {
      encoding : Encoding
      table_style : TableStyle
      points_per_line : Int
      x_factor : Double
      y_factor : Double
    } derive(ToJson, 
    Debug    )

    WriteOptions::default

    source
    fn WriteOptions::default() -> WriteOptions

    WriteOptions::to_json

    source

    WriteOptions::to_repr

    source

    audit

    source
    fn audit(text : String, policy? : AuditPolicy, options? : ParseOptions) -> AuditReport

    audit_document

    source
    fn audit_document(document : Document, policy? : AuditPolicy, options? : ParseOptions) -> AuditReport raise JcampError

    block_kind

    source
    fn block_kind(block : Block) -> String

    block_title

    source
    fn block_title(block : Block) -> String

    canonical_label

    source
    fn canonical_label(label : String) -> String

    combine_documents

    source
    fn combine_documents(documents : Array[Document], title? : String, read_options? : ParseOptions) -> Document raise JcampError

    compare_documents

    source
    fn compare_documents(left : String, right : String, options? : ParseOptions, compare_records? : Bool, max_issues? : Int) -> Comparison raise JcampError

    compare_spectra

    source
    fn compare_spectra(left : Array[Spectrum], right : Array[Spectrum], options? : ParseOptions, compare_records? : Bool, max_issues? : Int) -> Comparison raise JcampError

    convert_x

    source
    fn convert_x(spectrum : Spectrum, target : String) -> Spectrum raise JcampError

    convert_y

    source
    fn convert_y(spectrum : Spectrum, target : String) -> Spectrum raise JcampError

    crop

    source
    fn crop(spectrum : Spectrum, minimum : Double, maximum : Double) -> Spectrum raise JcampError

    decode_numbers

    source
    fn decode_numbers(text : String, mode? : NumericMode, max_values? : Int) -> Array[Double?] raise JcampError

    document_block_count

    source
    fn document_block_count(document : Document, max_depth? : Int) -> Int raise JcampError

    edit_metadata

    source
    fn edit_metadata(spectrum : Spectrum, edits : Array[MetadataEdit]) -> Spectrum raise JcampError

    export_csv

    source
    fn export_csv(spectrum : Spectrum) -> CsvBundle raise JcampError

    export_json

    source
    fn export_json(spectra : Array[Spectrum]) -> Json raise JcampError

    handle_request

    source
    fn handle_request(request : Json) -> Json

    import_csv

    source
    fn import_csv(text : String, metadata : Json) -> Spectrum raise JcampError

    import_json

    source
    fn import_json(value : Json) -> Array[Spectrum] raise JcampError

    inspect

    source
    fn inspect(text : String, options? : ParseOptions) -> Report

    inspect_batch

    source
    fn inspect_batch(inputs : Array[BatchInput], policy? : QualityPolicy, options? : ParseOptions) -> BatchReport raise JcampError

    parse_csv

    source
    fn parse_csv(text : String) -> Array[Array[String]] raise JcampError

    parse_document

    source
    fn parse_document(text : String, options? : ParseOptions) -> Document raise JcampError

    parse_interchange

    source
    fn parse_interchange(text : String) -> Array[Spectrum] raise JcampError

    protocol

    source
    fn protocol(text : String) -> String

    read_spectra

    source
    fn read_spectra(text : String, options? : ParseOptions) -> Array[Spectrum] raise JcampError

    record_value

    source
    fn record_value(records : Array[Record], label : String) -> String?

    render_document

    source
    fn render_document(document : Document, read_options? : ParseOptions) -> String raise JcampError

    resample

    source
    fn resample(spectrum : Spectrum, start : Double, end : Double, count : Int) -> Spectrum raise JcampError

    rewrite_document

    source
    fn rewrite_document(document : Document, options? : WriteOptions, read_options? : ParseOptions) -> String raise JcampError

    set_record

    source
    fn set_record(records : Array[Record], label : String, value : String) -> Array[Record]

    spectra_from_document

    source
    fn spectra_from_document(document : Document, options? : ParseOptions) -> Array[Spectrum] raise JcampError

    spectrum_from_block

    source
    fn spectrum_from_block(block : Block, options? : ParseOptions) -> Spectrum raise JcampError

    spectrum_from_json

    source
    fn spectrum_from_json(value : Json) -> Spectrum raise JcampError

    split_document

    source
    fn split_document(document : Document, read_options? : ParseOptions) -> Array[Document] raise JcampError

    summarize

    source
    fn summarize(spectrum : Spectrum, policy? : QualityPolicy) -> Summary raise JcampError

    write_collection

    source
    fn write_collection(spectra : Array[Spectrum], title? : String, options? : WriteOptions) -> String raise JcampError

    write_spectrum

    source
    fn write_spectrum(spectrum : Spectrum, options? : WriteOptions) -> String raise JcampError

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