cheminfo-types - npm Package Compare versions

Comparing version 1.4.0 to 1.5.0

cheminfoType.d.ts

@@ -0,98 +1,21 @@
+/**
+ * Defines 2 limits as numbers
+ */
 
-
-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;
-  /**
-   * Short description about the result of the measurement
-   */
-  description?: 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 FromToXY {
+  from: PointXY;
+  to: PointXY;
 }
-
-
-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
+ *  Quantity that is defined as range, e.g., melting point
  */
-export interface MeasurementVariable<
-  DataType extends DoubleArray = DoubleArray,
-> {
-  /**
-   * Unit of the data in the column
-   * @TJS-examples ["Pa", "kg"]
-   */
+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;
-  /**
-   * 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 (true or false) if the data series is monotone  */
-  isMonotone?: boolean;
 }
@@ -102,2 +25,40 @@ /**
  */
+export type OneUpperCase =
+  | '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';
+/**
+ * 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
+ */
 export type OneLowerCase =
@@ -130,46 +91,18 @@ | 'a'
   | 'z';
-/**Describes the location of some object. */
-export interface Location {
-  /** Name of the institution
-   * @TJS-examples ["EPFL", "Heriot-Watt University"]
+/** 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]
    */
-  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;
+  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;
+export interface PeakXYWidth {
+  x: number;
+  y: number;
+  width: 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;
-
-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 PointXY {
@@ -203,2 +136,7 @@ a?: number;
 }
+export interface OCLMolecule {
+  idCode: string;
+  coordinates?: string;
+  index?: number[]; // should be 16 numbers in fact
+}
 /**
@@ -209,37 +147,12 @@ * In order to store an array of numbers we prefer to either use native javascript
 
-export type NumberArray =
-  | number[]
-  | Int8Array
-  | Uint8Array
-  | Uint8ClampedArray
-  | Int16Array
-  | Uint16Array
-  | Int32Array
-  | Uint32Array
-  | Float32Array
-  | Float64Array;
+export type DoubleArray = number[] | Float64Array;
 /**
- * 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`
+ * Defines 2 limits as numbers
  */
 
-export type TextData = string | BinaryData;
-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 interface FromTo {
+  from: number;
+  to: number;
 }
+export type BinaryData = ArrayBuffer | Uint8Array;
 
@@ -272,9 +185,20 @@ /** The instrument with which a spectrum was measured.
 }
-/**
- * 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;
 }
@@ -337,68 +261,168 @@ /**
   | 'Z';
-export interface OCLMolecule {
-  idCode: string;
-  coordinates?: string;
-  index?: number[]; // should be 16 numbers in fact
+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 interface DataXY<DataType extends DoubleArray = DoubleArray> {
+  /**
+   * Array of numbers on x axis
+   */
+  x: DataType;
+  /**
+   * Array of numbers on y axis
+   */
+  y: DataType;
+}
 /**
- * A type that allows one uppercase or lowercase letter
+ * In order to store an array of numbers we prefer to either use native javascript
+ * arrays or to use Float64Array
  */
-export type OneUpperCase =
-  | '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]
+
+export type NumberArray =
+  | number[]
+  | Int8Array
+  | Uint8Array
+  | Uint8ClampedArray
+  | Int16Array
+  | Uint16Array
+  | Int32Array
+  | Uint32Array
+  | Float32Array
+  | Float64Array;
+
+/**
+ * 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"]
    */
-  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;
+  /**
+   * 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 PeakXYWidth {
-  x: number;
-  y: number;
-  width: 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 type BinaryData = ArrayBuffer | Uint8Array;
-/**
- *  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 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 MinMaxContent {
+  z: Float64Array[];
+  minZ: number;
+  maxZ: number;
+  minY: number;
+  maxY: number;
+  minX: number;
+  maxX: number;
+}
 
+export type Data2D = Data2DFid | Data2DFt;
+
+export interface Data2DFid {
+  re: MinMaxContent;
+  im?: MinMaxContent;
+}
+
+export interface Data2DFt {
+  rr: MinMaxContent;
+  ri?: MinMaxContent;
+  ir?: MinMaxContent;
+  ii?: MinMaxContent;
+}
+
 export interface ICPDilution {
@@ -405,0 +429,0 @@ factor?: number;

package.json

 {
   "name": "cheminfo-types",
-  "version": "1.4.0",
+  "version": "1.5.0",
   "description": "Types for cheminfo packages and cheminfo data schema ",
@@ -34,9 +34,9 @@ "main": "./index.js",
   "devDependencies": {
-    "eslint": "^8.1.0",
-    "eslint-config-cheminfo-typescript": "^10.2.2",
+    "eslint": "^8.28.0",
+    "eslint-config-cheminfo-typescript": "^11.2.2",
     "js-yaml": "^4.1.0",
-    "prettier": "^2.4.1",
-    "typescript": "^4.4.4",
-    "typescript-json-schema": "^0.51.0"
+    "prettier": "^2.7.1",
+    "typescript": "^4.9.3",
+    "typescript-json-schema": "^0.55.0"
   }
 }

README.md

@@ -5,3 +5,2 @@ # cheminfo-types
 [![build status][ci-image]][ci-url]
-[![Test coverage][codecov-image]][codecov-url]
 [![npm download][download-image]][download-url]
@@ -22,3 +21,31 @@
 
+<details>
 
+<summary>See example</summary>
+
+```
+import type { MeasurementXY } from 'cheminfo-types';
+
+const measurements: MeasurementXY[] = [];
+const xAxis = {
+  label: 'time',
+  units: 's',
+  isDependent: false,
+  data: [1, 2, 3],
+};
+const yAxis = {
+  label: 'current',
+  units: 'mA',
+  isDependent: true,
+  data: [0.1, 8, 13],
+};
+const firstMeasurement: MeasurementXY = {
+  title: 'Current Monitoring',
+  variables: { x: xAxis, y: yAxis },
+};
+measurements.push(firstMeasurement);
+```
+
+</details>
+
 ## License
@@ -32,5 +59,3 @@
 [ci-url]: https://github.com/cheminfo/cheminfo-types/actions?query=workflow%3A%22Node.js+CI%22
-[codecov-image]: https://img.shields.io/codecov/c/github/cheminfo/cheminfo-types.svg
-[codecov-url]: https://codecov.io/gh/cheminfo/cheminfo-types
 [download-image]: https://img.shields.io/npm/dm/cheminfo-types.svg
 [download-url]: https://www.npmjs.com/package/cheminfo-types

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Improved metrics

Total package byte prevSize

12762

increased by6.08%

Lines of code

417

increased by5.3%

Number of lines in readme file

59

increased by73.53%

Worsened metrics

Number of medium supply chain risk alerts

1

increased byInfinity%

No dependency changes