jcampconverter 9.0.3 → 9.0.5

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Files changed (18) hide show
  1. package/README.md +5 -15
  2. package/lib/convert.d.ts +23 -19
  3. package/lib/convert.d.ts.map +1 -1
  4. package/lib/convert.js +20 -19
  5. package/lib/convert.js.map +1 -1
  6. package/lib/createTree.d.ts.map +1 -1
  7. package/lib/createTree.js +3 -0
  8. package/lib/createTree.js.map +1 -1
  9. package/lib-esm/convert.d.ts +23 -19
  10. package/lib-esm/convert.d.ts.map +1 -1
  11. package/lib-esm/convert.js +20 -19
  12. package/lib-esm/convert.js.map +1 -1
  13. package/lib-esm/createTree.d.ts.map +1 -1
  14. package/lib-esm/createTree.js +3 -0
  15. package/lib-esm/createTree.js.map +1 -1
  16. package/package.json +1 -1
  17. package/src/convert.js +20 -19
  18. package/src/createTree.js +3 -0
package/README.md CHANGED
@@ -1,24 +1,14 @@
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- # JCAMP converter
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-
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- Parse and convert JCAMP data
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-
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- <h3 align="center">
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-
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- <a href="https://www.zakodium.com">
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- <img src="https://www.zakodium.com/brand/zakodium-logo-white.svg" width="50" alt="Zakodium logo" />
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- </a>
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-
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- <p>
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- Maintained by <a href="https://www.zakodium.com">Zakodium</a>
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- </p>
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-
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  [![NPM version][npm-image]][npm-url]
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  [![build status][ci-image]][ci-url]
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  [![Test coverage][codecov-image]][codecov-url]
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  [![npm download][download-image]][download-url]
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  [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5091526.svg)](https://doi.org/10.5281/zenodo.5091526)
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- </h3>
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+
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+ # JCAMP-DX converter
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+
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+ Parse and convert JCAMP-DX data
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+
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  ## Installation
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package/lib/convert.d.ts CHANGED
@@ -1,17 +1,17 @@
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  /**
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- *
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+ * Conversion options
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  * @typedef {object} ConvertOptions
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- * @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
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- * @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
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- * @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
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- * @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
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- * @property {boolean} [options.withoutXY=false] - Remove the XY data.
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- * @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
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- * @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
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- * @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
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- * @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
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- * @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
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- * @property {boolean} [options.profiling=false] - Add profiling information.
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+ * @property {RegExp} [keepRecordsRegExp=/^$/] - By default we don't keep meta information.
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+ * @property {boolean} [canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
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+ * @property {boolean} [canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
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+ * @property {boolean} [dynamicTyping=false] - Convert numbers to Number.
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+ * @property {boolean} [withoutXY=false] - Remove the XY data.
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+ * @property {boolean} [chromatogram=false] - Special post-processing for GC / HPLC / MS.
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+ * @property {boolean} [keepSpectra=false] - Force to keep the spectra in case of 2D.
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+ * @property {boolean} [noContour=false] - Don't calculate countour in case of 2D.
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+ * @property {number} [nbContourLevels=7] - Number of positive / negative contour levels to calculate.
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+ * @property {number} [noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
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+ * @property {boolean} [profiling=false] - Add profiling information.
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  */
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  /**
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  *
@@ -32,12 +32,12 @@
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  /**
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  * @typedef { Record<string, any> } Spectrum
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  * @property {Record<string, number[]>} [data]
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- * @property {number} [firstX]
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- * @property {number} [lastX]
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- * @property {number} [deltaX]
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- * @property {number} [yFactor]
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- * @property {number} [xFactor]
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- * @property {number} [nbPoints]
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+ * @property {number} [firstX] - first X value
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+ * @property {number} [lastX] - last X value
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+ * @property {number} [deltaX] - distance between 2 consecutive x axis values
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+ * @property {number} [yFactor] - y axis scaling factor
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+ * @property {number} [xFactor] - x axis scaling factor
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+ * @property {number} [nbPoints] - Number of points
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  */
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  /**
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  *
@@ -62,12 +62,16 @@
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  */
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  /**
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  * Parse a jcamp.
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- *
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+ * The data can be provide as a string or array buffer. In this later case
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+ * we will convert it first to a string before parsing.
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  * @param {string|ArrayBuffer|Uint8Array} jcamp
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  * @param {ConvertOptions} [options]
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  * @returns {ConvertResult}
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  */
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  export function convert(jcamp: string | ArrayBuffer | Uint8Array, options?: ConvertOptions | undefined): ConvertResult;
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+ /**
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+ * Conversion options
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+ */
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  export type ConvertOptions = {
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  /**
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  * - By default we don't keep meta information.
package/lib/convert.d.ts.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;;GAYG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBAzUa,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;UACN,MAAM;SACN,MAAM;;;;;;;eAUL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}
1
+ {"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;;GAYG;AAEH;;;;;;;GAOG;AAEH;;;;;;;GAOG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBA1Ua,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;UACN,MAAM;SACN,MAAM;;;;;;;eAUL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}
package/lib/convert.js CHANGED
@@ -31,19 +31,19 @@ const defaultOptions = {
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  profiling: false,
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  };
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  /**
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- *
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+ * Conversion options
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  * @typedef {object} ConvertOptions
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- * @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
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- * @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
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- * @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
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- * @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
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- * @property {boolean} [options.withoutXY=false] - Remove the XY data.
41
- * @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
42
- * @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
43
- * @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
44
- * @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
45
- * @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
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- * @property {boolean} [options.profiling=false] - Add profiling information.
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+ * @property {RegExp} [keepRecordsRegExp=/^$/] - By default we don't keep meta information.
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+ * @property {boolean} [canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
38
+ * @property {boolean} [canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
39
+ * @property {boolean} [dynamicTyping=false] - Convert numbers to Number.
40
+ * @property {boolean} [withoutXY=false] - Remove the XY data.
41
+ * @property {boolean} [chromatogram=false] - Special post-processing for GC / HPLC / MS.
42
+ * @property {boolean} [keepSpectra=false] - Force to keep the spectra in case of 2D.
43
+ * @property {boolean} [noContour=false] - Don't calculate countour in case of 2D.
44
+ * @property {number} [nbContourLevels=7] - Number of positive / negative contour levels to calculate.
45
+ * @property {number} [noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
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+ * @property {boolean} [profiling=false] - Add profiling information.
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  */
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  /**
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  *
@@ -64,12 +64,12 @@ const defaultOptions = {
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  /**
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  * @typedef { Record<string, any> } Spectrum
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  * @property {Record<string, number[]>} [data]
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- * @property {number} [firstX]
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- * @property {number} [lastX]
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- * @property {number} [deltaX]
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- * @property {number} [yFactor]
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- * @property {number} [xFactor]
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- * @property {number} [nbPoints]
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+ * @property {number} [firstX] - first X value
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+ * @property {number} [lastX] - last X value
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+ * @property {number} [deltaX] - distance between 2 consecutive x axis values
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+ * @property {number} [yFactor] - y axis scaling factor
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+ * @property {number} [xFactor] - x axis scaling factor
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+ * @property {number} [nbPoints] - Number of points
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  */
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  /**
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  *
@@ -94,7 +94,8 @@ const defaultOptions = {
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  */
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  /**
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  * Parse a jcamp.
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- *
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+ * The data can be provide as a string or array buffer. In this later case
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+ * we will convert it first to a string before parsing.
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  * @param {string|ArrayBuffer|Uint8Array} jcamp
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  * @param {ConvertOptions} [options]
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  * @returns {ConvertResult}
package/lib/convert.js.map CHANGED
@@ -1 +1 @@
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package/lib/createTree.d.ts.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"createTree.d.ts","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":"AAEA;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,kCAJW,MAAM,GAAC,WAAW,GAAC,UAAU,4CAE3B,IAAI,EAAE,CA2ElB;;;;;WArFa,MAAM;WACN,MAAM"}
1
+ {"version":3,"file":"createTree.d.ts","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":"AAEA;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,kCAJW,MAAM,GAAC,WAAW,GAAC,UAAU,4CAE3B,IAAI,EAAE,CA8ElB;;;;;WAxFa,MAAM;WACN,MAAM"}
package/lib/createTree.js CHANGED
@@ -78,6 +78,9 @@ function createTree(jcamp, options = {}) {
78
78
  if (canonicDataLabel === 'DATATYPE') {
79
79
  current.dataType = match[2].trim();
80
80
  }
81
+ if (canonicDataLabel === 'DATACLASS') {
82
+ current.dataClass = match[2].trim();
83
+ }
81
84
  }
82
85
  }
83
86
  if (labelLine.substring(0, 5) === '##END' && ntupleLevel > 0) {
package/lib/createTree.js.map CHANGED
@@ -1 +1 @@
1
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1
+ {"version":3,"file":"createTree.js","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":";;;AAAA,iDAA6C;AAE7C;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,SAAgB,UAAU,CAAC,KAAK,EAAE,OAAO,GAAG,EAAE;IAC5C,KAAK,GAAG,IAAA,4BAAY,EAAC,KAAK,CAAC,CAAC;IAC5B,MAAM,EAAE,OAAO,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IACpC,IAAI,OAAO,KAAK,KAAK,QAAQ,EAAE;QAC7B,MAAM,IAAI,SAAS,CAAC,8BAA8B,CAAC,CAAC;KACrD;IAED,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC;IACnC,IAAI,IAAI,GAAG,EAAE,CAAC;IACd,IAAI,KAAK,GAAG,EAAE,CAAC;IACf,IAAI,MAAM,GAAG,EAAE,CAAC;IAChB,IAAI,OAAO,CAAC;IACZ,IAAI,WAAW,GAAG,CAAC,CAAC;IAEpB,IAAI,MAAM,GAAG,KAAK,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;IAEnC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,IAAI,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACpB,IAAI,SAAS,GAAG,MAAM,CAAC,CAAC,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAEvD,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,WAAW,EAAE;YAC7C,WAAW,EAAE,CAAC;SACf;QAED,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,SAAS,EAAE;YAC3C,IAAI,KAAK,GAAG,CAAC,SAAS,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;YAC5C,KAAK,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACzC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;oBAC7B,MAAM;iBACP;qBAAM;oBACL,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;iBAC7B;aACF;YACD,KAAK,CAAC,IAAI,CAAC;gBACT,KAAK,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC;gBACvB,KAAK,EAAE,GAAG,IAAI,IAAI;gBAClB,QAAQ,EAAE,EAAE;aACb,CAAC,CAAC;YACH,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;YAClC,IAAI,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;SACpB;aAAM,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,OAAO,IAAI,WAAW,KAAK,CAAC,EAAE;YACrE,OAAO,CAAC,KAAK,IAAI,GAAG,IAAI,IAAI,CAAC;YAC7B,IAAI,QAAQ,GAAG,KAAK,CAAC,GAAG,EAAE,CAAC;YAC3B,IAAI,KAAK,CAAC,MAAM,KAAK,CAAC,EAAE;gBACtB,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;gBAClC,OAAO,CAAC,QAAQ,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;aACjC;iBAAM;gBACL,OAAO,GAAG,SAAS,CAAC;gBACpB,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;aACvB;SACF;aAAM,IAAI,OAAO,IAAI,OAAO,CAAC,KAAK,EAAE;YACnC,OAAO,CAAC,KAAK,IAAI,GAAG,IAAI,IAAI,CAAC;YAC7B,IAAI,KAAK,GAAG,SAAS,CAAC,KAAK,CAAC,eAAe,CAAC,CAAC;YAC7C,IAAI,KAAK,EAAE;gBACT,IAAI,gBAAgB,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,QAAQ,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;gBACpE,IAAI,gBAAgB,KAAK,UAAU,EAAE;oBACnC,OAAO,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;iBACpC;gBACD,IAAI,gBAAgB,KAAK,WAAW,EAAE;oBACpC,OAAO,CAAC,SAAS,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;iBACrC;aACF;SACF;QAED,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,OAAO,IAAI,WAAW,GAAG,CAAC,EAAE;YAC5D,WAAW,EAAE,CAAC;SACf;KACF;IACD,IAAI,OAAO,EAAE;QACX,IAAI,CAAC,OAAO,CAAC,CAAC,KAAK,EAAE,EAAE;YACrB,KAAK,CAAC,QAAQ,GAAG,SAAS,CAAC;QAC7B,CAAC,CAAC,CAAC;QACH,OAAO,IAAI,CAAC;KACb;SAAM;QACL,OAAO,MAAM,CAAC;KACf;AACH,CAAC;AA5ED,gCA4EC"}
package/lib-esm/convert.d.ts CHANGED
@@ -1,17 +1,17 @@
1
1
  /**
2
- *
2
+ * Conversion options
3
3
  * @typedef {object} ConvertOptions
4
- * @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
5
- * @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
6
- * @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
7
- * @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
8
- * @property {boolean} [options.withoutXY=false] - Remove the XY data.
9
- * @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
10
- * @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
11
- * @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
12
- * @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
13
- * @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
14
- * @property {boolean} [options.profiling=false] - Add profiling information.
4
+ * @property {RegExp} [keepRecordsRegExp=/^$/] - By default we don't keep meta information.
5
+ * @property {boolean} [canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
6
+ * @property {boolean} [canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
7
+ * @property {boolean} [dynamicTyping=false] - Convert numbers to Number.
8
+ * @property {boolean} [withoutXY=false] - Remove the XY data.
9
+ * @property {boolean} [chromatogram=false] - Special post-processing for GC / HPLC / MS.
10
+ * @property {boolean} [keepSpectra=false] - Force to keep the spectra in case of 2D.
11
+ * @property {boolean} [noContour=false] - Don't calculate countour in case of 2D.
12
+ * @property {number} [nbContourLevels=7] - Number of positive / negative contour levels to calculate.
13
+ * @property {number} [noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
14
+ * @property {boolean} [profiling=false] - Add profiling information.
15
15
  */
16
16
  /**
17
17
  *
@@ -32,12 +32,12 @@
32
32
  /**
33
33
  * @typedef { Record<string, any> } Spectrum
34
34
  * @property {Record<string, number[]>} [data]
35
- * @property {number} [firstX]
36
- * @property {number} [lastX]
37
- * @property {number} [deltaX]
38
- * @property {number} [yFactor]
39
- * @property {number} [xFactor]
40
- * @property {number} [nbPoints]
35
+ * @property {number} [firstX] - first X value
36
+ * @property {number} [lastX] - last X value
37
+ * @property {number} [deltaX] - distance between 2 consecutive x axis values
38
+ * @property {number} [yFactor] - y axis scaling factor
39
+ * @property {number} [xFactor] - x axis scaling factor
40
+ * @property {number} [nbPoints] - Number of points
41
41
  */
42
42
  /**
43
43
  *
@@ -62,12 +62,16 @@
62
62
  */
63
63
  /**
64
64
  * Parse a jcamp.
65
- *
65
+ * The data can be provide as a string or array buffer. In this later case
66
+ * we will convert it first to a string before parsing.
66
67
  * @param {string|ArrayBuffer|Uint8Array} jcamp
67
68
  * @param {ConvertOptions} [options]
68
69
  * @returns {ConvertResult}
69
70
  */
70
71
  export function convert(jcamp: string | ArrayBuffer | Uint8Array, options?: ConvertOptions | undefined): ConvertResult;
72
+ /**
73
+ * Conversion options
74
+ */
71
75
  export type ConvertOptions = {
72
76
  /**
73
77
  * - By default we don't keep meta information.
package/lib-esm/convert.d.ts.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;;GAYG;AAEH;;;;;;;GAOG;AAEH;;;;;;GAMG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBAzUa,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;UACN,MAAM;SACN,MAAM;;;;;;;eAUL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}
1
+ {"version":3,"file":"convert.d.ts","sourceRoot":"","sources":["../src/convert.js"],"names":[],"mappings":"AA8BA;;;;;;;;;;;;;;GAcG;AAEH;;;;;;;;;;;;;;;GAeG;AAEH;;;;;;;;;GASG;AAEH;;;;;;;;;;;;GAYG;AAEH;;;;;;;GAOG;AAEH;;;;;;;GAOG;AAEH,+BALW,MAAM,GAAC,WAAW,GAAC,UAAU,yCAE3B,aAAa,CAmSzB;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;uBA1Ua,OAAO,MAAM,EAAE,GAAG,CAAC;;aAanB,QAAQ,EAAE;aACV,OAAO;UACP,MAAM;UACN,MAAM;SACN,MAAM;;;;;;;eAUL,MAAM,EAAE,GAAG,OAAO;UAClB,MAAM,EAAE;aACR,MAAM,EAAE;aACR,KAAK,EAAE"}
package/lib-esm/convert.js CHANGED
@@ -25,19 +25,19 @@ const defaultOptions = {
25
25
  profiling: false,
26
26
  };
27
27
  /**
28
- *
28
+ * Conversion options
29
29
  * @typedef {object} ConvertOptions
30
- * @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
31
- * @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
32
- * @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
33
- * @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
34
- * @property {boolean} [options.withoutXY=false] - Remove the XY data.
35
- * @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
36
- * @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
37
- * @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
38
- * @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
39
- * @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
40
- * @property {boolean} [options.profiling=false] - Add profiling information.
30
+ * @property {RegExp} [keepRecordsRegExp=/^$/] - By default we don't keep meta information.
31
+ * @property {boolean} [canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
32
+ * @property {boolean} [canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
33
+ * @property {boolean} [dynamicTyping=false] - Convert numbers to Number.
34
+ * @property {boolean} [withoutXY=false] - Remove the XY data.
35
+ * @property {boolean} [chromatogram=false] - Special post-processing for GC / HPLC / MS.
36
+ * @property {boolean} [keepSpectra=false] - Force to keep the spectra in case of 2D.
37
+ * @property {boolean} [noContour=false] - Don't calculate countour in case of 2D.
38
+ * @property {number} [nbContourLevels=7] - Number of positive / negative contour levels to calculate.
39
+ * @property {number} [noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
40
+ * @property {boolean} [profiling=false] - Add profiling information.
41
41
  */
42
42
  /**
43
43
  *
@@ -58,12 +58,12 @@ const defaultOptions = {
58
58
  /**
59
59
  * @typedef { Record<string, any> } Spectrum
60
60
  * @property {Record<string, number[]>} [data]
61
- * @property {number} [firstX]
62
- * @property {number} [lastX]
63
- * @property {number} [deltaX]
64
- * @property {number} [yFactor]
65
- * @property {number} [xFactor]
66
- * @property {number} [nbPoints]
61
+ * @property {number} [firstX] - first X value
62
+ * @property {number} [lastX] - last X value
63
+ * @property {number} [deltaX] - distance between 2 consecutive x axis values
64
+ * @property {number} [yFactor] - y axis scaling factor
65
+ * @property {number} [xFactor] - x axis scaling factor
66
+ * @property {number} [nbPoints] - Number of points
67
67
  */
68
68
  /**
69
69
  *
@@ -88,7 +88,8 @@ const defaultOptions = {
88
88
  */
89
89
  /**
90
90
  * Parse a jcamp.
91
- *
91
+ * The data can be provide as a string or array buffer. In this later case
92
+ * we will convert it first to a string before parsing.
92
93
  * @param {string|ArrayBuffer|Uint8Array} jcamp
93
94
  * @param {ConvertOptions} [options]
94
95
  * @returns {ConvertResult}
package/lib-esm/convert.js.map CHANGED
@@ -1 +1 @@
1
- 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package/lib-esm/createTree.d.ts.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"createTree.d.ts","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":"AAEA;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,kCAJW,MAAM,GAAC,WAAW,GAAC,UAAU,4CAE3B,IAAI,EAAE,CA2ElB;;;;;WArFa,MAAM;WACN,MAAM"}
1
+ {"version":3,"file":"createTree.d.ts","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":"AAEA;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,kCAJW,MAAM,GAAC,WAAW,GAAC,UAAU,4CAE3B,IAAI,EAAE,CA8ElB;;;;;WAxFa,MAAM;WACN,MAAM"}
package/lib-esm/createTree.js CHANGED
@@ -75,6 +75,9 @@ export function createTree(jcamp, options = {}) {
75
75
  if (canonicDataLabel === 'DATATYPE') {
76
76
  current.dataType = match[2].trim();
77
77
  }
78
+ if (canonicDataLabel === 'DATACLASS') {
79
+ current.dataClass = match[2].trim();
80
+ }
78
81
  }
79
82
  }
80
83
  if (labelLine.substring(0, 5) === '##END' && ntupleLevel > 0) {
package/lib-esm/createTree.js.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"createTree.js","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":"AAAA,OAAO,EAAE,YAAY,EAAE,MAAM,eAAe,CAAC;AAE7C;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,MAAM,UAAU,UAAU,CAAC,KAAK,EAAE,OAAO,GAAG,EAAE;IAC5C,KAAK,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC;IAC5B,MAAM,EAAE,OAAO,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IACpC,IAAI,OAAO,KAAK,KAAK,QAAQ,EAAE;QAC7B,MAAM,IAAI,SAAS,CAAC,8BAA8B,CAAC,CAAC;KACrD;IAED,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC;IACnC,IAAI,IAAI,GAAG,EAAE,CAAC;IACd,IAAI,KAAK,GAAG,EAAE,CAAC;IACf,IAAI,MAAM,GAAG,EAAE,CAAC;IAChB,IAAI,OAAO,CAAC;IACZ,IAAI,WAAW,GAAG,CAAC,CAAC;IAEpB,IAAI,MAAM,GAAG,KAAK,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;IAEnC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,IAAI,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACpB,IAAI,SAAS,GAAG,MAAM,CAAC,CAAC,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAEvD,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,WAAW,EAAE;YAC7C,WAAW,EAAE,CAAC;SACf;QAED,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,SAAS,EAAE;YAC3C,IAAI,KAAK,GAAG,CAAC,SAAS,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;YAC5C,KAAK,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACzC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;oBAC7B,MAAM;iBACP;qBAAM;oBACL,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;iBAC7B;aACF;YACD,KAAK,CAAC,IAAI,CAAC;gBACT,KAAK,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC;gBACvB,KAAK,EAAE,GAAG,IAAI,IAAI;gBAClB,QAAQ,EAAE,EAAE;aACb,CAAC,CAAC;YACH,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;YAClC,IAAI,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;SACpB;aAAM,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,OAAO,IAAI,WAAW,KAAK,CAAC,EAAE;YACrE,OAAO,CAAC,KAAK,IAAI,GAAG,IAAI,IAAI,CAAC;YAC7B,IAAI,QAAQ,GAAG,KAAK,CAAC,GAAG,EAAE,CAAC;YAC3B,IAAI,KAAK,CAAC,MAAM,KAAK,CAAC,EAAE;gBACtB,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;gBAClC,OAAO,CAAC,QAAQ,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;aACjC;iBAAM;gBACL,OAAO,GAAG,SAAS,CAAC;gBACpB,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;aACvB;SACF;aAAM,IAAI,OAAO,IAAI,OAAO,CAAC,KAAK,EAAE;YACnC,OAAO,CAAC,KAAK,IAAI,GAAG,IAAI,IAAI,CAAC;YAC7B,IAAI,KAAK,GAAG,SAAS,CAAC,KAAK,CAAC,eAAe,CAAC,CAAC;YAC7C,IAAI,KAAK,EAAE;gBACT,IAAI,gBAAgB,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,QAAQ,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;gBACpE,IAAI,gBAAgB,KAAK,UAAU,EAAE;oBACnC,OAAO,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;iBACpC;aACF;SACF;QAED,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,OAAO,IAAI,WAAW,GAAG,CAAC,EAAE;YAC5D,WAAW,EAAE,CAAC;SACf;KACF;IACD,IAAI,OAAO,EAAE;QACX,IAAI,CAAC,OAAO,CAAC,CAAC,KAAK,EAAE,EAAE;YACrB,KAAK,CAAC,QAAQ,GAAG,SAAS,CAAC;QAC7B,CAAC,CAAC,CAAC;QACH,OAAO,IAAI,CAAC;KACb;SAAM;QACL,OAAO,MAAM,CAAC;KACf;AACH,CAAC"}
1
+ {"version":3,"file":"createTree.js","sourceRoot":"","sources":["../src/createTree.js"],"names":[],"mappings":"AAAA,OAAO,EAAE,YAAY,EAAE,MAAM,eAAe,CAAC;AAE7C;;;;GAIG;AAEH;;;;;;GAMG;AAEH;;;;;;GAMG;AACH,MAAM,UAAU,UAAU,CAAC,KAAK,EAAE,OAAO,GAAG,EAAE;IAC5C,KAAK,GAAG,YAAY,CAAC,KAAK,CAAC,CAAC;IAC5B,MAAM,EAAE,OAAO,GAAG,KAAK,EAAE,GAAG,OAAO,CAAC;IACpC,IAAI,OAAO,KAAK,KAAK,QAAQ,EAAE;QAC7B,MAAM,IAAI,SAAS,CAAC,8BAA8B,CAAC,CAAC;KACrD;IAED,IAAI,KAAK,GAAG,KAAK,CAAC,KAAK,CAAC,SAAS,CAAC,CAAC;IACnC,IAAI,IAAI,GAAG,EAAE,CAAC;IACd,IAAI,KAAK,GAAG,EAAE,CAAC;IACf,IAAI,MAAM,GAAG,EAAE,CAAC;IAChB,IAAI,OAAO,CAAC;IACZ,IAAI,WAAW,GAAG,CAAC,CAAC;IAEpB,IAAI,MAAM,GAAG,KAAK,CAAC,QAAQ,CAAC,KAAK,CAAC,CAAC;IAEnC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACrC,IAAI,IAAI,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACpB,IAAI,SAAS,GAAG,MAAM,CAAC,CAAC,CAAC,IAAI,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAEvD,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,WAAW,EAAE;YAC7C,WAAW,EAAE,CAAC;SACf;QAED,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,SAAS,EAAE;YAC3C,IAAI,KAAK,GAAG,CAAC,SAAS,CAAC,SAAS,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;YAC5C,KAAK,IAAI,CAAC,GAAG,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,KAAK,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACzC,IAAI,KAAK,CAAC,CAAC,CAAC,CAAC,UAAU,CAAC,IAAI,CAAC,EAAE;oBAC7B,MAAM;iBACP;qBAAM;oBACL,KAAK,CAAC,IAAI,CAAC,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC,CAAC;iBAC7B;aACF;YACD,KAAK,CAAC,IAAI,CAAC;gBACT,KAAK,EAAE,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC;gBACvB,KAAK,EAAE,GAAG,IAAI,IAAI;gBAClB,QAAQ,EAAE,EAAE;aACb,CAAC,CAAC;YACH,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;YAClC,IAAI,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;SACpB;aAAM,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,OAAO,IAAI,WAAW,KAAK,CAAC,EAAE;YACrE,OAAO,CAAC,KAAK,IAAI,GAAG,IAAI,IAAI,CAAC;YAC7B,IAAI,QAAQ,GAAG,KAAK,CAAC,GAAG,EAAE,CAAC;YAC3B,IAAI,KAAK,CAAC,MAAM,KAAK,CAAC,EAAE;gBACtB,OAAO,GAAG,KAAK,CAAC,KAAK,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC;gBAClC,OAAO,CAAC,QAAQ,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;aACjC;iBAAM;gBACL,OAAO,GAAG,SAAS,CAAC;gBACpB,MAAM,CAAC,IAAI,CAAC,QAAQ,CAAC,CAAC;aACvB;SACF;aAAM,IAAI,OAAO,IAAI,OAAO,CAAC,KAAK,EAAE;YACnC,OAAO,CAAC,KAAK,IAAI,GAAG,IAAI,IAAI,CAAC;YAC7B,IAAI,KAAK,GAAG,SAAS,CAAC,KAAK,CAAC,eAAe,CAAC,CAAC;YAC7C,IAAI,KAAK,EAAE;gBACT,IAAI,gBAAgB,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,QAAQ,EAAE,EAAE,CAAC,CAAC,WAAW,EAAE,CAAC;gBACpE,IAAI,gBAAgB,KAAK,UAAU,EAAE;oBACnC,OAAO,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;iBACpC;gBACD,IAAI,gBAAgB,KAAK,WAAW,EAAE;oBACpC,OAAO,CAAC,SAAS,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,EAAE,CAAC;iBACrC;aACF;SACF;QAED,IAAI,SAAS,CAAC,SAAS,CAAC,CAAC,EAAE,CAAC,CAAC,KAAK,OAAO,IAAI,WAAW,GAAG,CAAC,EAAE;YAC5D,WAAW,EAAE,CAAC;SACf;KACF;IACD,IAAI,OAAO,EAAE;QACX,IAAI,CAAC,OAAO,CAAC,CAAC,KAAK,EAAE,EAAE;YACrB,KAAK,CAAC,QAAQ,GAAG,SAAS,CAAC;QAC7B,CAAC,CAAC,CAAC;QACH,OAAO,IAAI,CAAC;KACb;SAAM;QACL,OAAO,MAAM,CAAC;KACf;AACH,CAAC"}
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "jcampconverter",
3
- "version": "9.0.3",
3
+ "version": "9.0.5",
4
4
  "description": "Parse and convert JCAMP data",
5
5
  "main": "lib/index.js",
6
6
  "module": "lib-esm/index.js",
package/src/convert.js CHANGED
@@ -29,19 +29,19 @@ const defaultOptions = {
29
29
  };
30
30
 
31
31
  /**
32
- *
32
+ * Conversion options
33
33
  * @typedef {object} ConvertOptions
34
- * @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
35
- * @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
36
- * @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
37
- * @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
38
- * @property {boolean} [options.withoutXY=false] - Remove the XY data.
39
- * @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
40
- * @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
41
- * @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
42
- * @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
43
- * @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
44
- * @property {boolean} [options.profiling=false] - Add profiling information.
34
+ * @property {RegExp} [keepRecordsRegExp=/^$/] - By default we don't keep meta information.
35
+ * @property {boolean} [canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
36
+ * @property {boolean} [canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
37
+ * @property {boolean} [dynamicTyping=false] - Convert numbers to Number.
38
+ * @property {boolean} [withoutXY=false] - Remove the XY data.
39
+ * @property {boolean} [chromatogram=false] - Special post-processing for GC / HPLC / MS.
40
+ * @property {boolean} [keepSpectra=false] - Force to keep the spectra in case of 2D.
41
+ * @property {boolean} [noContour=false] - Don't calculate countour in case of 2D.
42
+ * @property {number} [nbContourLevels=7] - Number of positive / negative contour levels to calculate.
43
+ * @property {number} [noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
44
+ * @property {boolean} [profiling=false] - Add profiling information.
45
45
  */
46
46
 
47
47
  /**
@@ -64,12 +64,12 @@ const defaultOptions = {
64
64
  /**
65
65
  * @typedef { Record<string, any> } Spectrum
66
66
  * @property {Record<string, number[]>} [data]
67
- * @property {number} [firstX]
68
- * @property {number} [lastX]
69
- * @property {number} [deltaX]
70
- * @property {number} [yFactor]
71
- * @property {number} [xFactor]
72
- * @property {number} [nbPoints]
67
+ * @property {number} [firstX] - first X value
68
+ * @property {number} [lastX] - last X value
69
+ * @property {number} [deltaX] - distance between 2 consecutive x axis values
70
+ * @property {number} [yFactor] - y axis scaling factor
71
+ * @property {number} [xFactor] - x axis scaling factor
72
+ * @property {number} [nbPoints] - Number of points
73
73
  */
74
74
 
75
75
  /**
@@ -97,7 +97,8 @@ const defaultOptions = {
97
97
 
98
98
  /**
99
99
  * Parse a jcamp.
100
- *
100
+ * The data can be provide as a string or array buffer. In this later case
101
+ * we will convert it first to a string before parsing.
101
102
  * @param {string|ArrayBuffer|Uint8Array} jcamp
102
103
  * @param {ConvertOptions} [options]
103
104
  * @returns {ConvertResult}
package/src/createTree.js CHANGED
@@ -79,6 +79,9 @@ export function createTree(jcamp, options = {}) {
79
79
  if (canonicDataLabel === 'DATATYPE') {
80
80
  current.dataType = match[2].trim();
81
81
  }
82
+ if (canonicDataLabel === 'DATACLASS') {
83
+ current.dataClass = match[2].trim();
84
+ }
82
85
  }
83
86
  }
84
87