cheminfo-types - npm Package Compare versions

Comparing version 1.7.1 to 1.7.2

cheminfoTypes.d.ts

 
-export interface ICPDilution {
-  factor?: number;
-  solvent?: string;
-}
-
-export interface ICPResult {
-  element: string;
-  wavelength?: Value;
-  experimentalConcentration?: Value;
-  dilution?: ICPDilution;
-  sampleConcentration?: Value;
-}
-
 /**
@@ -55,2 +42,30 @@ * Describe a variable that can only contains as data an array of number
 
+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<
@@ -86,49 +101,2 @@ DataType extends DoubleArray = DoubleArray,
 }
-
-
-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>;
-}
-/**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;
-}
 /**
@@ -147,86 +115,11 @@ *  Quantity that is defined as range, e.g., melting point
 }
-/**
- * Defines 2 limits as numbers
- */
-
-export interface FromTo {
-  from: number;
-  to: number;
+export interface OCLMolecule {
+  idCode: string;
+  coordinates?: string;
+  index?: number[]; // should be 16 numbers in fact
 }
 /**
- * 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 {
-  child(bindings?: Record<string, any>): Logger;
-
-  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;
-
-  fatal(obj: Record<string, unknown>, message: string): void;
-  fatal(message: string): void;
-  fatal(error: Error): void;
-  fatal(value: unknown, message?: string): void;
-}
-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;
-}
-/**
- * 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;
-/**
  * A type that allows one uppercase or lowercase letter
  */
-export type OneLowerCase =
+export type OneLetter =
   | 'a'
@@ -257,7 +150,3 @@ | 'b'
   | 'y'
-  | 'z';
-/**
- * A type that allows one uppercase or lowercase letter
- */
-export type OneUpperCase =
+  | 'z'
   | 'A'
@@ -289,71 +178,6 @@ | 'B'
   | 'Z';
-
-/** 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;
-}
-/** 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;
-}
-export type NumberArray =
-  | number[]
-  | Int8Array
-  | Uint8Array
-  | Uint8ClampedArray
-  | Int16Array
-  | Uint16Array
-  | Int32Array
-  | Uint32Array
-  | Float32Array
-  | Float64Array;
-export interface OCLMolecule {
-  idCode: string;
-  coordinates?: string;
-  index?: number[]; // should be 16 numbers in fact
-}
 /**
  * A type that allows one uppercase or lowercase letter
  */
-export type OneLetter =
+export type OneLowerCase =
   | 'a'
@@ -384,3 +208,101 @@ | 'b'
   | 'y'
-  | 'z'
+  | '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;
+}
+/**
+ * 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;
+export type NumberArray =
+  | number[]
+  | Int8Array
+  | Uint8Array
+  | Uint8ClampedArray
+  | Int16Array
+  | Uint16Array
+  | Int32Array
+  | Uint32Array
+  | Float32Array
+  | 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;
+}
+export interface PeakXYWidth {
+  x: number;
+  y: number;
+  width: number;
+}
+/**
+ * Defines 2 limits as numbers
+ */
+
+export interface FromToXY {
+  from: PointXY;
+  to: PointXY;
+}
+/**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;
+}
+export type BinaryData = ArrayBuffer | Uint8Array;
+/**
+ * A type that allows one uppercase or lowercase letter
+ */
+export type OneUpperCase =
   | 'A'
@@ -412,26 +334,29 @@ | 'B'
   | 'Z';
-export interface Software {
-  /** Version of the software instance.
-   * @TJS-examples ['v0.0.1', 'rev111']
+
+/** The instrument with which a spectrum was measured.
+ *  CHMO: 0000998
+ */
+export interface Instrument {
+  /** The name of the instrument.
+   * @TJS-examples ["BELSORP MAX II"]
    */
-  version?: string;
-  /**    The name of the item.
-   * @TJS-examples ['tga-analysis', 'ChemDraw']
+  model: string;
+  /** The name of the instrument manufacturer
+   * @TJS-examples ["Microtrac Retsch GmbH", "Bruker"]
    */
-  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']
+  manufacturer: string;
+  /** The INTERNAL serial number of the instrument, e.g., the inventory number of the instrument in a university
+   * @TJS-examples ["B105863"]
    */
-  url?: string;
+  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;
 }
-/**
- * Defines 2 limits as numbers
- */
-
-export interface FromToXY {
-  from: PointXY;
-  to: PointXY;
-}
 export type NumberMatrix =
@@ -448,9 +373,71 @@ | number[][]
   | Float64Array[];
-export type BinaryData = ArrayBuffer | Uint8Array;
-export interface PeakXYWidth {
-  x: number;
-  y: number;
-  width: number;
+/** 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;
 }
 /**
+ * Defines 2 limits as numbers
+ */
+
+export interface FromTo {
+  from: number;
+  to: number;
+}
+/**
+ * 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 {
+  child(bindings?: Record<string, any>): Logger;
+
+  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;
+
+  fatal(obj: Record<string, unknown>, message: string): void;
+  fatal(message: string): void;
+  fatal(error: Error): void;
+  fatal(value: unknown, message?: string): void;
+}
+
+export interface DataXY<DataType extends DoubleArray = DoubleArray> {
+  /**
+   * Array of numbers on x axis
+   */
+  x: DataType;
+  /**
+   * Array of numbers on y axis
+   */
+  y: DataType;
+}
+/**
  * case we may have a text, ArrayBuffer or Uint8Array
@@ -463,3 +450,21 @@ * This type is used by the package `ensure-string` to ensure that the data
 export type TextData = string | BinaryData;
-export interface MinMaxContent {
+
+export interface ICPDilution {
+  factor?: number;
+  solvent?: string;
+}
+
+export interface ICPResult {
+  element: string;
+  wavelength?: Value;
+  experimentalConcentration?: Value;
+  dilution?: ICPDilution;
+  sampleConcentration?: Value;
+}
+export interface NmrData1D {
+  x: Float64Array;
+  re: Float64Array;
+  im?: Float64Array;
+}
+export interface NmrData2DContent {
   z: Float64Array[];
@@ -474,14 +479,14 @@ minZ: number;
 
-export type Data2D = Data2DFid | Data2DFt;
+export type NmrData2D = NmrData2DFid | NmrData2DFt;
 
-export interface Data2DFid {
-  re: MinMaxContent;
-  im?: MinMaxContent;
+export interface NmrData2DFid {
+  re: NmrData2DContent;
+  im?: NmrData2DContent;
 }
 
-export interface Data2DFt {
-  rr: MinMaxContent;
-  ri?: MinMaxContent;
-  ir?: MinMaxContent;
-  ii?: MinMaxContent;
+export interface NmrData2DFt {
+  rr: NmrData2DContent;
+  ri?: NmrData2DContent;
+  ir?: NmrData2DContent;
+  ii?: NmrData2DContent;
 }

package.json

 {
   "name": "cheminfo-types",
-  "version": "1.7.1",
+  "version": "1.7.2",
   "description": "Types for cheminfo packages and cheminfo data schema ",
@@ -5,0 +5,0 @@ "main": "./index.js",

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14302

increased by0.9%

Lines of code

459

increased by1.1%

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