cheminfo-types - npm Package Compare versions

Comparing version 1.1.0 to 1.2.0

cheminfoType.d.ts

@@ -0,15 +1,76 @@
+/**
+ * In order to store an array of numbers we prefer to either use native javascript
+ * arrays or to use Float64Array
+ */
 
-export interface ICPDilution {
-  factor?: number;
-  solvent?: string;
+export type DoubleArray = number[] | Float64Array;
+export interface PointXY {
+  a?: number;
+  b?: number;
+  c?: number;
+  d?: number;
+  e?: number;
+  f?: number;
+  g?: number;
+  h?: number;
+  i?: number;
+  j?: number;
+  k?: number;
+  l?: number;
+  m?: number;
+  n?: number;
+  o?: number;
+  p?: number;
+  q?: number;
+  r?: number;
+  s?: number;
+  t?: number;
+  u?: number;
+  v?: number;
+  w?: number;
+  x: number;
+  y: number;
+  z?: number;
 }
+/**
+ * Defines 2 limits as numbers
+ */
 
-export interface ICPResult {
-  element: string;
-  wavelength?: Value;
-  experimentalConcentration?: Value;
-  dilution?: ICPDilution;
-  sampleConcentration?: Value;
+export interface FromToXY {
+  from: PointXY;
+  to: PointXY;
 }
+export interface Software {
+  /** Version of the software instance.
+   * @TJS-examples ['v0.0.1', 'rev111']
+   */
+  version?: string;
+  /**    The name of the item.
+   * @TJS-examples ['tga-analysis', 'ChemDraw']
+   */
+  name: string;
+  /**    A description of the item. */
+  description?: string;
+  /**    If the file can be downloaded, URL to download the binary
+   * @TJS-examples ['https://github.com/cheminfo/tga-spectrum/releases/tag/v0.16.0']
+   */
+  url?: string;
+}
 /**
+ * In order to store an array of numbers we prefer to either use native javascript
+ * arrays or to use Float64Array
+ */
+
+export type NumberArray =
+  | number[]
+  | Int8Array
+  | Uint8Array
+  | Uint8ClampedArray
+  | Int16Array
+  | Uint16Array
+  | Int32Array
+  | Uint32Array
+  | Float32Array
+  | Float64Array;
+/**
  * Defines 2 limits as numbers
@@ -25,3 +86,3 @@ */
  */
-export type OneLowerCase =
+export type OneLetter =
   | 'a'
@@ -52,3 +113,88 @@ | 'b'
   | 'y'
-  | 'z';
+  | 'z'
+  | 'A'
+  | 'B'
+  | 'C'
+  | 'D'
+  | 'E'
+  | 'F'
+  | 'G'
+  | 'H'
+  | 'I'
+  | 'J'
+  | 'K'
+  | 'L'
+  | 'M'
+  | 'N'
+  | 'O'
+  | 'P'
+  | 'Q'
+  | 'R'
+  | 'S'
+  | 'T'
+  | 'U'
+  | 'V'
+  | 'W'
+  | 'X'
+  | 'Y'
+  | 'Z';
+/** Value with units as https://schema.org/Value */
+export interface Value {
+  /** The value of the quantitative value or property value node.
+   * @TJS-examples [0, 1000, 1345.24456, -10, -100]
+   */
+  value: number;
+  /** */
+  precision?: number;
+  /**A string or text indicating the unit of measurement. The unit could be validated in the input form based on the UN/CEFACT Common Code list */
+  units?: string;
+}
+
+/** The instrument with which a spectrum was measured.
+ *  CHMO: 0000998
+ */
+export interface Instrument {
+  /** The name of the instrument.
+   * @TJS-examples ["BELSORP MAX II"]
+   */
+  model: string;
+  /** The name of the instrument manufacturer
+   * @TJS-examples ["Microtrac Retsch GmbH", "Bruker"]
+   */
+  manufacturer: string;
+  /** The INTERNAL serial number of the instrument, e.g., the inventory number of the instrument in a university
+   * @TJS-examples ["B105863"]
+   */
+  serialNumber?: string;
+  /** Stock Keeping Unit (SKU), i.e. a merchant-specific identifier for a product or service, or the product to which the offer refers.
+   * @TJS-examples ["345"]
+   */
+  sku?: string;
+  /** The name of the software and the version number
+   * @TJS-examples ["BELMaster™ 7"]
+   */
+  software?: Software;
+  location?: Location;
+}
+
+export interface DataXY<DataType extends DoubleArray = DoubleArray> {
+  /**
+   * Array of numbers on x axis
+   */
+  x: DataType;
+  /**
+   * Array of numbers on y axis
+   */
+  y: DataType;
+}
+export interface OCLMolecule {
+  idCode: string;
+  coordinates?: string;
+  index?: number[]; // should be 16 numbers in fact
+}
+export interface PeakXYWidth {
+  x: number;
+  y: number;
+  width: number;
+}
 /**
@@ -67,18 +213,10 @@ *  Quantity that is defined as range, e.g., melting point
 }
-export interface Software {
-  /** Version of the software instance.
-   * @TJS-examples ['v0.0.1', 'rev111']
-   */
-  softwareVersion?: string;
-  /**    The name of the item.
-   * @TJS-examples ['tga-analysis', 'ChemDraw']
-   */
-  name: string;
-  /**    A description of the item. */
-  description?: string;
-  /**    If the file can be downloaded, URL to download the binary
-   * @TJS-examples ['https://github.com/cheminfo/tga-spectrum/releases/tag/v0.16.0']
-   */
-  downloadUrl?: string;
-}
+/**
+ * case we may have a text, ArrayBuffer or Uint8Array
+ * This type is used by the package `ensure-string` to ensure that the data
+ * is actually a string.
+ * This is very useful in the packages like `jcampconverter` or `xy-parser`
+ */
+
+export type TextData = string | BinaryData;
 /**Describes the location of some object. */
@@ -106,3 +244,3 @@ export interface Location {
  */
-export type OneLetter =
+export type OneLowerCase =
   | 'a'
@@ -133,87 +271,5 @@ | 'b'
   | 'y'
-  | 'z'
-  | 'A'
-  | 'B'
-  | 'C'
-  | 'D'
-  | 'E'
-  | 'F'
-  | 'G'
-  | 'H'
-  | 'I'
-  | 'J'
-  | 'K'
-  | 'L'
-  | 'M'
-  | 'N'
-  | 'O'
-  | 'P'
-  | 'Q'
-  | 'R'
-  | 'S'
-  | 'T'
-  | 'U'
-  | 'V'
-  | 'W'
-  | 'X'
-  | 'Y'
-  | 'Z';
+  | 'z';
+export type BinaryData = ArrayBuffer | Uint8Array;
 /**
- * In order to store an array of numbers we prefer to either use native javascript
- * arrays or to use Float64Array
- */
-
-export type DoubleArray = number[] | Float64Array;
-/**
- * In order to store an array of numbers we prefer to either use native javascript
- * arrays or to use Float64Array
- */
-
-export type NumberArray =
-  | number[]
-  | Int8Array
-  | Uint8Array
-  | Uint8ClampedArray
-  | Int16Array
-  | Uint16Array
-  | Int32Array
-  | Uint32Array
-  | Float32Array
-  | Float64Array;
-export interface PeakXYWidth {
-  x: number;
-  y: number;
-  width: number;
-}
-/**
- * Defines 2 limits as numbers
- */
-
-export interface FromToXY {
-  from: PointXY;
-  to: PointXY;
-}
-
-export interface DataXY<DataType extends DoubleArray = DoubleArray> {
-  /**
-   * Array of numbers on x axis
-   */
-  x: DataType;
-  /**
-   * Array of numbers on y axis
-   */
-  y: DataType;
-}
-/** Value with units as https://schema.org/Value */
-export interface Value {
-  /** The value of the quantitative value or property value node.
-   * @TJS-examples [0, 1000, 1345.24456, -10, -100]
-   */
-  value: number;
-  /** */
-  precision?: number;
-  /**A string or text indicating the unit of measurement. The unit could be validated in the input form based on the UN/CEFACT Common Code list */
-  units?: string;
-}
-/**
  * A type that allows one uppercase or lowercase letter
@@ -248,97 +304,14 @@ */
   | 'Z';
-export interface PointXY {
-  a?: number;
-  b?: number;
-  c?: number;
-  d?: number;
-  e?: number;
-  f?: number;
-  g?: number;
-  h?: number;
-  i?: number;
-  j?: number;
-  k?: number;
-  l?: number;
-  m?: number;
-  n?: number;
-  o?: number;
-  p?: number;
-  q?: number;
-  r?: number;
-  s?: number;
-  t?: number;
-  u?: number;
-  v?: number;
-  w?: number;
-  x: number;
-  y: number;
-  z?: number;
-}
-/**
- * case we may have a text, ArrayBuffer or Uint8Array
- * This type is used by the package `ensure-string` to ensure that the data
- * is actually a string.
- * This is very useful in the packages like `jcampconverter` or `xy-parser`
- */
 
-export type TextData = string | BinaryData;
-
-/** The instrument with which a spectrum was measured.
- *  CHMO: 0000998
- */
-export interface Instrument {
-  /** The name of the instrument.
-   * @TJS-examples ["BELSORP MAX II"]
-   */
-  model: string;
-  /** The name of the instrument manufacturer
-   * @TJS-examples ["Microtrac Retsch GmbH", "Bruker"]
-   */
-  manufacturer: string;
-  /** The INTERNAL serial number of the instrument, e.g., the inventory number of the instrument in a university
-   * @TJS-examples ["B105863"]
-   */
-  serialNumber?: string;
-  /** Stock Keeping Unit (SKU), i.e. a merchant-specific identifier for a product or service, or the product to which the offer refers.
-   * @TJS-examples ["345"]
-   */
-  sku?: string;
-  /** The name of the software and the version number
-   * @TJS-examples ["BELMaster™ 7"]
-   */
-  software?: Software;
-  location?: Location;
+export interface ICPDilution {
+  factor?: number;
+  solvent?: string;
 }
-export type BinaryData = ArrayBuffer | Uint8Array;
 
-
-export interface MeasurementXYVariables<
-  DataType extends DoubleArray = DoubleArray,
-> {
-  a?: MeasurementVariable<DataType>;
-  b?: MeasurementVariable<DataType>;
-  c?: MeasurementVariable<DataType>;
-  d?: MeasurementVariable<DataType>;
-  e?: MeasurementVariable<DataType>;
-  f?: MeasurementVariable<DataType>;
-  g?: MeasurementVariable<DataType>;
-  h?: MeasurementVariable<DataType>;
-  i?: MeasurementVariable<DataType>;
-  j?: MeasurementVariable<DataType>;
-  k?: MeasurementVariable<DataType>;
-  l?: MeasurementVariable<DataType>;
-  m?: MeasurementVariable<DataType>;
-  n?: MeasurementVariable<DataType>;
-  o?: MeasurementVariable<DataType>;
-  p?: MeasurementVariable<DataType>;
-  q?: MeasurementVariable<DataType>;
-  r?: MeasurementVariable<DataType>;
-  s?: MeasurementVariable<DataType>;
-  t?: MeasurementVariable<DataType>;
-  u?: MeasurementVariable<DataType>;
-  v?: MeasurementVariable<DataType>;
-  w?: MeasurementVariable<DataType>;
-  x: MeasurementVariable<DataType>;
-  y: MeasurementVariable<DataType>;
-  z?: MeasurementVariable<DataType>;
+export interface ICPResult {
+  element: string;
+  wavelength?: Value;
+  experimentalConcentration?: Value;
+  dilution?: ICPDilution;
+  sampleConcentration?: Value;
 }
@@ -403,1 +376,33 @@
 }
+
+
+export interface MeasurementXYVariables<
+  DataType extends DoubleArray = DoubleArray,
+> {
+  a?: MeasurementVariable<DataType>;
+  b?: MeasurementVariable<DataType>;
+  c?: MeasurementVariable<DataType>;
+  d?: MeasurementVariable<DataType>;
+  e?: MeasurementVariable<DataType>;
+  f?: MeasurementVariable<DataType>;
+  g?: MeasurementVariable<DataType>;
+  h?: MeasurementVariable<DataType>;
+  i?: MeasurementVariable<DataType>;
+  j?: MeasurementVariable<DataType>;
+  k?: MeasurementVariable<DataType>;
+  l?: MeasurementVariable<DataType>;
+  m?: MeasurementVariable<DataType>;
+  n?: MeasurementVariable<DataType>;
+  o?: MeasurementVariable<DataType>;
+  p?: MeasurementVariable<DataType>;
+  q?: MeasurementVariable<DataType>;
+  r?: MeasurementVariable<DataType>;
+  s?: MeasurementVariable<DataType>;
+  t?: MeasurementVariable<DataType>;
+  u?: MeasurementVariable<DataType>;
+  v?: MeasurementVariable<DataType>;
+  w?: MeasurementVariable<DataType>;
+  x: MeasurementVariable<DataType>;
+  y: MeasurementVariable<DataType>;
+  z?: MeasurementVariable<DataType>;
+}

package.json

 {
   "name": "cheminfo-types",
-  "version": "1.1.0",
+  "version": "1.2.0",
   "description": "Types for cheminfo packages and cheminfo data schema ",
@@ -5,0 +5,0 @@ "main": "./index.js",

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Total package byte prevSize

11847

increased by0.95%

Lines of code

388

increased by1.31%

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