cheminfo-types - npm Package Compare versions

Comparing version 1.8.0 to 1.8.1

cheminfoTypes.d.ts

@@ -0,2 +1,232 @@
+
 /**
+ * Describe a variable that can only contains as data an array of number
+ */
+export interface MeasurementVariable<
+  DataType extends DoubleArray = DoubleArray,
+> {
+  /**
+   * Unit of the data in the column
+   * @TJS-examples ["Pa", "kg"]
+   */
+  units?: string;
+  /**
+   * Long name of the column
+   *@TJS-examples ["absolute pressure"]
+   */
+  label: string;
+  /**
+   *
+   */
+  isDependent?: boolean;
+  /**
+   * An array containing numerical data
+   */
+  data: DataType;
+  /** One letter that allows to define the variable */
+  symbol?: OneLetter;
+  /** If defined contain the minimal value of the data */
+  min?: number;
+  /** If defined contain the maximal value of the data */
+  max?: number;
+  /**
+   * If defined indicates if the data series is monotonic.
+   * `1` means that the data is increasing.
+   * `-1` means that the data is decreasing.
+   * `0` means that the data is not monotonic.
+   */
+  isMonotonic?: -1 | 0 | 1;
+}
+
+
+export interface MeasurementXY<DataType extends DoubleArray = DoubleArray> {
+  /**
+   * A unique identifier for the measurement, preferably a UUID.
+   */
+  id?: string;
+  /**
+   * Variables containing the data of the measurement.
+   * It must contain at least the variable `x` and `y`
+   */
+  variables: MeasurementXYVariables<DataType>;
+  /**
+   * Title of the experiment. Often contains the sample code
+   */
+  title?: string;
+  /**
+   * May contain the type of data. This is practical when you have a bunch of data
+   * of different types
+   */
+  dataType?: string;
+  settings?: {
+    instrument?: Instrument;
+    [key: string]: any;
+  };
+  meta?: Record<string, any>;
+  derived?: Record<string, any>;
+}
+
+
+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 NmrData1D {
+  x: Float64Array;
+  re: Float64Array;
+  im?: Float64Array;
+}
+export interface NmrData2DContent {
+  z: Float64Array[];
+  minZ: number;
+  maxZ: number;
+  minY: number;
+  maxY: number;
+  minX: number;
+  maxX: number;
+}
+
+export type NmrData2D = NmrData2DFid | NmrData2DFt;
+
+export interface NmrData2DFidReIm {
+  re: NmrData2DContent;
+  im: NmrData2DContent;
+}
+
+export interface NmrData2DFid {
+  re: NmrData2DContent;
+  im?: NmrData2DContent;
+}
+
+export interface NmrData2DFt {
+  rr: NmrData2DContent;
+  ri?: NmrData2DContent;
+  ir?: NmrData2DContent;
+  ii?: NmrData2DContent;
+}
+
+export interface ICPDilution {
+  factor?: number;
+  solvent?: string;
+}
+
+export interface ICPResult {
+  element: string;
+  wavelength?: Value;
+  experimentalConcentration?: Value;
+  dilution?: ICPDilution;
+  sampleConcentration?: Value;
+}
+
+export interface DataXY<DataType extends NumberArray = NumberArray> {
+  /**
+   * Array of numbers on x-axis
+   */
+  x: DataType;
+  /**
+   * Array of numbers on y-axis
+   */
+  y: DataType;
+}
+
+/** 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;
+}
+/**
+ * Many libraries use a logger interface to log information about the processing.
+ * This logger is expected to be compatible not only with the one from the `pino` library but
+ * also with the default `console`.
+ * This means that the library can output logs by default to the console and the user can
+ * replace it with a custom logger that implements this interface.
+ */
+export interface LightLogger {
+  trace(obj: Record<string, unknown>, message: string): void;
+  trace(message: string): void;
+  trace(error: Error): void;
+  trace(value: unknown, message?: string): void;
+
+  debug(obj: Record<string, unknown>, message: string): void;
+  debug(message: string): void;
+  debug(error: Error): void;
+  debug(value: unknown, message?: string): void;
+
+  info(obj: Record<string, unknown>, message: string): void;
+  info(message: string): void;
+  info(error: Error): void;
+  info(value: unknown, message?: string): void;
+
+  warn(obj: Record<string, unknown>, message: string): void;
+  warn(message: string): void;
+  warn(error: Error): void;
+  warn(value: unknown, message?: string): void;
+
+  error(obj: Record<string, unknown>, message: string): void;
+  error(message: string): void;
+  error(error: Error): void;
+  error(value: unknown, message?: string): void;
+}
+export type BinaryData = ArrayBuffer | Uint8Array;
+export interface OCLMolecule {
+  idCode: string;
+  coordinates?: string;
+  index?: number[]; // should be 16 numbers in fact
+}
+/**
+ * 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;
+/**
  * A type that allows one uppercase or lowercase letter
@@ -31,21 +261,15 @@ */
   | 'Z';
-/**Describes the location of some object. */
-export interface Location {
-  /** Name of the institution
-   * @TJS-examples ["EPFL", "Heriot-Watt University"]
-   */
-  entity: string;
-  /** Name or code of the building
-   * @TJS-examples ["I17", "Main building"]
-   */
-  building?: string;
-  /**Name or code of the room in which the object is localized
-   * @TJS-examples ["1 B3", "Lab 1"]
-   */
-  room?: string;
-  /** Internal code that is used to identify the location
-   * @TJS-examples ["I17 1 B3"]
-   */
-  code: string;
+/**
+ * Defines 2 limits as numbers
+ */
+
+export interface FromTo {
+  from: number;
+  to: number;
 }
+export interface PeakXYWidth {
+  x: number;
+  y: number;
+  width: number;
+}
 /**
@@ -107,29 +331,2 @@ * A type that allows one uppercase or lowercase letter
   | 'Z';
-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;
-}
-export type NumberMatrix =
-  | number[][]
-  | Int8Array[]
-  | Uint8Array[]
-  | Uint8ClampedArray[]
-  | Int16Array[]
-  | Uint16Array[]
-  | Int32Array[]
-  | Uint32Array[]
-  | Float32Array[]
-  | Float64Array[];
 /**
@@ -141,104 +338,45 @@ * In order to store an array of numbers we prefer to either use native javascript
 export type DoubleArray = number[] | Float64Array;
-export interface PeakXYWidth {
-  x: number;
-  y: number;
-  width: number;
-}
-export interface OCLMolecule {
-  idCode: string;
-  coordinates?: string;
-  index?: number[]; // should be 16 numbers in fact
-}
-
-export interface DataXY<DataType extends NumberArray = NumberArray> {
-  /**
-   * Array of numbers on x-axis
-   */
-  x: DataType;
-  /**
-   * Array of numbers on y-axis
-   */
-  y: DataType;
-}
 /**
- * Many libraries use a logger interface to log information about the processing.
- * This logger is expected to be compatible not only with the one from the `pino` library but
- * also with the default `console`.
- * This means that the library can output logs by default to the console and the user can
- * replace it with a custom logger that implements this interface.
+ * A type that allows one uppercase or lowercase letter
  */
-export interface LightLogger {
-  trace(obj: Record<string, unknown>, message: string): void;
-  trace(message: string): void;
-  trace(error: Error): void;
-  trace(value: unknown, message?: string): void;
-
-  debug(obj: Record<string, unknown>, message: string): void;
-  debug(message: string): void;
-  debug(error: Error): void;
-  debug(value: unknown, message?: string): void;
-
-  info(obj: Record<string, unknown>, message: string): void;
-  info(message: string): void;
-  info(error: Error): void;
-  info(value: unknown, message?: string): void;
-
-  warn(obj: Record<string, unknown>, message: string): void;
-  warn(message: string): void;
-  warn(error: Error): void;
-  warn(value: unknown, message?: string): void;
-
-  error(obj: Record<string, unknown>, message: string): void;
-  error(message: string): void;
-  error(error: Error): void;
-  error(value: unknown, message?: string): void;
-}
-
+export type OneLowerCase =
+  | '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';
 /**
- * Many libraries use a logger interface to log information about the processing.
- * This logger is expected to be compatible with the one from the `pino` library
+ *  Quantity that is defined as range, e.g., melting point
  */
-export interface Logger extends LightLogger {
-  child(bindings?: Record<string, any>): Logger;
-
-  fatal(obj: Record<string, unknown>, message: string): void;
-  fatal(message: string): void;
-  fatal(error: Error): void;
-  fatal(value: unknown, message?: string): void;
+export interface Range {
+  /** The lower value of some  characteristic or property.*/
+  min: number;
+  /** The upper value of some characteristic or property.*/
+  max: number;
+  /** */
+  precision?: number;
+  /**A string or text indicating the unit of measurement. Useful if you cannot provide a standard unit code for unitCode. */
+  units?: string;
 }
-/**
- * Defines 2 limits as numbers
- */
-
-export interface FromTo {
-  from: number;
-  to: number;
-}
-
-/** 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 PointXY {
@@ -272,18 +410,2 @@ a?: number;
 }
-/**
- * Defines 2 limits as numbers
- */
-
-export interface FromToXY {
-  from: PointXY;
-  to: PointXY;
-}
-/**
- * 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;
 export type NumberArray =
@@ -300,33 +422,2 @@ | number[]
   | Float64Array;
-export type BinaryData = ArrayBuffer | Uint8Array;
-/**
- * A type that allows one uppercase or lowercase letter
- */
-export type OneLowerCase =
-  | '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 */
@@ -343,154 +434,68 @@ export interface Value {
 }
-/**
- *  Quantity that is defined as range, e.g., melting point
- */
-export interface Range {
-  /** The lower value of some  characteristic or property.*/
-  min: number;
-  /** The upper value of some characteristic or property.*/
-  max: number;
-  /** */
-  precision?: number;
-  /**A string or text indicating the unit of measurement. Useful if you cannot provide a standard unit code for unitCode. */
-  units?: string;
-}
-
-
-export interface MeasurementXY<DataType extends DoubleArray = DoubleArray> {
-  /**
-   * A unique identifier for the measurement, preferably a UUID.
+/**Describes the location of some object. */
+export interface Location {
+  /** Name of the institution
+   * @TJS-examples ["EPFL", "Heriot-Watt University"]
    */
-  id?: string;
-  /**
-   * Variables containing the data of the measurement.
-   * It must contain at least the variable `x` and `y`
+  entity: string;
+  /** Name or code of the building
+   * @TJS-examples ["I17", "Main building"]
    */
-  variables: MeasurementXYVariables<DataType>;
-  /**
-   * Title of the experiment. Often contains the sample code
+  building?: string;
+  /**Name or code of the room in which the object is localized
+   * @TJS-examples ["1 B3", "Lab 1"]
    */
-  title?: string;
-  /**
-   * May contain the type of data. This is practical when you have a bunch of data
-   * of different types
+  room?: string;
+  /** Internal code that is used to identify the location
+   * @TJS-examples ["I17 1 B3"]
    */
-  dataType?: string;
-  settings?: {
-    instrument?: Instrument;
-    [key: string]: any;
-  };
-  meta?: Record<string, any>;
-  derived?: Record<string, any>;
+  code: string;
 }
-
-
-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>;
-}
-
-/**
- * Describe a variable that can only contains as data an array of number
- */
-export interface MeasurementVariable<
-  DataType extends DoubleArray = DoubleArray,
-> {
-  /**
-   * Unit of the data in the column
-   * @TJS-examples ["Pa", "kg"]
+export interface Software {
+  /** Version of the software instance.
+   * @TJS-examples ['v0.0.1', 'rev111']
    */
-  units?: string;
-  /**
-   * Long name of the column
-   *@TJS-examples ["absolute pressure"]
+  version?: string;
+  /**    The name of the item.
+   * @TJS-examples ['tga-analysis', 'ChemDraw']
    */
-  label: string;
-  /**
-   *
+  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']
    */
-  isDependent?: boolean;
-  /**
-   * An array containing numerical data
-   */
-  data: DataType;
-  /** One letter that allows to define the variable */
-  symbol?: OneLetter;
-  /** If defined contain the minimal value of the data */
-  min?: number;
-  /** If defined contain the maximal value of the data */
-  max?: number;
-  /**
-   * If defined indicates if the data series is monotonic.
-   * `1` means that the data is increasing.
-   * `-1` means that the data is decreasing.
-   * `0` means that the data is not monotonic.
-   */
-  isMonotonic?: -1 | 0 | 1;
+  url?: string;
 }
 
-export interface ICPDilution {
-  factor?: number;
-  solvent?: string;
-}
+/**
+ * Many libraries use a logger interface to log information about the processing.
+ * This logger is expected to be compatible with the one from the `pino` library
+ */
+export interface Logger extends LightLogger {
+  child(bindings?: Record<string, any>): Logger;
 
-export interface ICPResult {
-  element: string;
-  wavelength?: Value;
-  experimentalConcentration?: Value;
-  dilution?: ICPDilution;
-  sampleConcentration?: Value;
+  fatal(obj: Record<string, unknown>, message: string): void;
+  fatal(message: string): void;
+  fatal(error: Error): void;
+  fatal(value: unknown, message?: string): void;
 }
-export interface NmrData1D {
-  x: Float64Array;
-  re: Float64Array;
-  im?: Float64Array;
-}
-export interface NmrData2DContent {
-  z: Float64Array[];
-  minZ: number;
-  maxZ: number;
-  minY: number;
-  maxY: number;
-  minX: number;
-  maxX: number;
-}
+export type NumberMatrix =
+  | number[][]
+  | Int8Array[]
+  | Uint8Array[]
+  | Uint8ClampedArray[]
+  | Int16Array[]
+  | Uint16Array[]
+  | Int32Array[]
+  | Uint32Array[]
+  | Float32Array[]
+  | Float64Array[];
+/**
+ * Defines 2 limits as numbers
+ */
 
-export type NmrData2D = NmrData2DFid | NmrData2DFt;
-
-export interface NmrData2DFid {
-  re: NmrData2DContent;
-  im?: NmrData2DContent;
+export interface FromToXY {
+  from: PointXY;
+  to: PointXY;
 }
-
-export interface NmrData2DFt {
-  rr: NmrData2DContent;
-  ri?: NmrData2DContent;
-  ir?: NmrData2DContent;
-  ii?: NmrData2DContent;
-}

package.json

 {
   "name": "cheminfo-types",
-  "version": "1.8.0",
+  "version": "1.8.1",
   "description": "Types for cheminfo packages and cheminfo data schema ",
@@ -5,0 +5,0 @@ "main": "./index.js",

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Lines of code

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