Huge News!Announcing our $40M Series B led by Abstract Ventures.Learn More →
cheminfo-types
Advanced tools
cheminfo-types - npm Package Compare versions
Comparing version 1.7.2 to 1.7.3
| export interface ICPDilution { | ||
| factor?: number; | ||
| solvent?: string; | ||
| } | ||
| export interface ICPResult { | ||
| element: string; | ||
| wavelength?: Value; | ||
| experimentalConcentration?: Value; | ||
| dilution?: ICPDilution; | ||
| sampleConcentration?: Value; | ||
| } | ||
| 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>; | ||
| } | ||
| /** | ||
@@ -42,30 +83,2 @@ * 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< | ||
@@ -101,3 +114,48 @@ DataType extends DoubleArray = DoubleArray, | ||
| } | ||
| export interface NmrData2DContent { | ||
| z: Float64Array[]; | ||
| minZ: number; | ||
| maxZ: number; | ||
| minY: number; | ||
| maxY: number; | ||
| minX: number; | ||
| maxX: number; | ||
| } | ||
| export type NmrData2D = NmrData2DFid | NmrData2DFt; | ||
| export interface NmrData2DFid { | ||
| re: NmrData2DContent; | ||
| im?: NmrData2DContent; | ||
| } | ||
| export interface NmrData2DFt { | ||
| rr: NmrData2DContent; | ||
| ri?: NmrData2DContent; | ||
| ir?: NmrData2DContent; | ||
| ii?: NmrData2DContent; | ||
| } | ||
| export interface NmrData1D { | ||
| x: Float64Array; | ||
| re: Float64Array; | ||
| im?: Float64Array; | ||
| } | ||
| /** | ||
| * 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 NumberArray = NumberArray> { | ||
| /** | ||
| * Array of numbers on x-axis | ||
| */ | ||
| x: DataType; | ||
| /** | ||
| * Array of numbers on y-axis | ||
| */ | ||
| y: DataType; | ||
| } | ||
| /** | ||
| * Quantity that is defined as range, e.g., melting point | ||
@@ -115,6 +173,9 @@ */ | ||
| } | ||
| export interface OCLMolecule { | ||
| idCode: string; | ||
| coordinates?: string; | ||
| index?: number[]; // should be 16 numbers in fact | ||
| /** | ||
| * Defines 2 limits as numbers | ||
| */ | ||
| export interface FromToXY { | ||
| from: PointXY; | ||
| to: PointXY; | ||
| } | ||
@@ -178,4 +239,121 @@ /** | ||
| /** | ||
| * 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 PeakXYWidth { | ||
| x: number; | ||
| y: number; | ||
| width: number; | ||
| } | ||
| export interface OCLMolecule { | ||
| idCode: string; | ||
| coordinates?: string; | ||
| index?: number[]; // should be 16 numbers in fact | ||
| } | ||
| export type NumberMatrix = | ||
| | number[][] | ||
| | Int8Array[] | ||
| | Uint8Array[] | ||
| | Uint8ClampedArray[] | ||
| | Int16Array[] | ||
| | Uint16Array[] | ||
| | Int32Array[] | ||
| | Uint32Array[] | ||
| | Float32Array[] | ||
| | Float64Array[]; | ||
| /** | ||
| * A type that allows one uppercase or lowercase letter | ||
| */ | ||
| 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'; | ||
| export type BinaryData = ArrayBuffer | Uint8Array; | ||
| /**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 NumberArray = | ||
| | number[] | ||
| | Int8Array | ||
| | Uint8Array | ||
| | Uint8ClampedArray | ||
| | Int16Array | ||
| | Uint16Array | ||
| | Int32Array | ||
| | Uint32Array | ||
| | Float32Array | ||
| | Float64Array; | ||
| /** | ||
| * A type that allows one uppercase or lowercase letter | ||
| */ | ||
| export type OneLowerCase = | ||
@@ -208,35 +386,21 @@ | 'a' | ||
| | 'z'; | ||
| export interface Software { | ||
| /** Version of the software instance. | ||
| * @TJS-examples ['v0.0.1', 'rev111'] | ||
| /** 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] | ||
| */ | ||
| 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; | ||
| 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; | ||
| } | ||
| /** | ||
| * In order to store an array of numbers we prefer to either use native javascript | ||
| * arrays or to use Float64Array | ||
| * Defines 2 limits as numbers | ||
| */ | ||
| export type DoubleArray = number[] | Float64Array; | ||
| export type NumberArray = | ||
| | number[] | ||
| | Int8Array | ||
| | Uint8Array | ||
| | Uint8ClampedArray | ||
| | Int16Array | ||
| | Uint16Array | ||
| | Int32Array | ||
| | Uint32Array | ||
| | Float32Array | ||
| | Float64Array; | ||
| export interface FromTo { | ||
| from: number; | ||
| to: number; | ||
| } | ||
| export interface PointXY { | ||
@@ -270,123 +434,19 @@ a?: 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"] | ||
| export interface Software { | ||
| /** Version of the software instance. | ||
| * @TJS-examples ['v0.0.1', 'rev111'] | ||
| */ | ||
| entity: string; | ||
| /** Name or code of the building | ||
| * @TJS-examples ["I17", "Main building"] | ||
| version?: string; | ||
| /** The name of the item. | ||
| * @TJS-examples ['tga-analysis', 'ChemDraw'] | ||
| */ | ||
| building?: string; | ||
| /**Name or code of the room in which the object is localized | ||
| * @TJS-examples ["1 B3", "Lab 1"] | ||
| 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'] | ||
| */ | ||
| room?: string; | ||
| /** Internal code that is used to identify the location | ||
| * @TJS-examples ["I17 1 B3"] | ||
| */ | ||
| code: string; | ||
| url?: string; | ||
| } | ||
| export type BinaryData = ArrayBuffer | Uint8Array; | ||
| /** | ||
| * A type that allows one uppercase or lowercase letter | ||
| */ | ||
| 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'; | ||
| /** 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 type NumberMatrix = | ||
| | number[][] | ||
| | Int8Array[] | ||
| | Uint8Array[] | ||
| | Uint8ClampedArray[] | ||
| | Int16Array[] | ||
| | Uint16Array[] | ||
| | Int32Array[] | ||
| | Uint32Array[] | ||
| | Float32Array[] | ||
| | Float64Array[]; | ||
| /** 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 | ||
@@ -429,61 +489,1 @@ * This logger is expected to be compatible with the one from the `pino` library | ||
| } | ||
| 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 | ||
| * 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 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[]; | ||
| minZ: number; | ||
| maxZ: number; | ||
| minY: number; | ||
| maxY: number; | ||
| minX: number; | ||
| maxX: number; | ||
| } | ||
| export type NmrData2D = NmrData2DFid | NmrData2DFt; | ||
| export interface NmrData2DFid { | ||
| re: NmrData2DContent; | ||
| im?: NmrData2DContent; | ||
| } | ||
| export interface NmrData2DFt { | ||
| rr: NmrData2DContent; | ||
| ri?: NmrData2DContent; | ||
| ir?: NmrData2DContent; | ||
| ii?: NmrData2DContent; | ||
| } |
| { | ||
| "name": "cheminfo-types", | ||
| "version": "1.7.2", | ||
| "version": "1.7.3", | ||
| "description": "Types for cheminfo packages and cheminfo data schema ", | ||
@@ -15,11 +15,12 @@ "main": "./index.js", | ||
| "scripts": { | ||
| "precheck-types": "npm run prepack", | ||
| "build": "find src -name \"*.ts\" -exec grep -v import {} \\; > cheminfoTypes.d.ts", | ||
| "precheck-types": "npm run build", | ||
| "check-types": "tsc --noEmit", | ||
| "prepack": "find src -name \"*.ts\" -exec grep -v import {} \\; > cheminfoTypes.d.ts", | ||
| "eslint": "eslint src --cache", | ||
| "eslint-fix": "npm run eslint -- --fix", | ||
| "prepack": "npm run build", | ||
| "prettier": "prettier --check src", | ||
| "prettier-write": "prettier --write src", | ||
| "test": "npm run test-only && npm run eslint && npm run check-types", | ||
| "pretest-only": "npm run prepack", | ||
| "pretest-only": "npm run build", | ||
| "test-only": "tsd", | ||
@@ -37,11 +38,11 @@ "generate-json": "ts-node json/buildJSON.ts" | ||
| "devDependencies": { | ||
| "eslint": "^8.39.0", | ||
| "eslint-config-cheminfo-typescript": "^11.3.1", | ||
| "eslint": "^8.57.0", | ||
| "eslint-config-cheminfo-typescript": "^12.2.0", | ||
| "js-yaml": "^4.1.0", | ||
| "pino": "^8.11.0", | ||
| "prettier": "^2.8.8", | ||
| "tsd": "^0.28.1", | ||
| "typescript": "^5.0.4", | ||
| "typescript-json-schema": "^0.56.0" | ||
| "pino": "^8.19.0", | ||
| "prettier": "^3.2.5", | ||
| "tsd": "^0.30.7", | ||
| "typescript": "^5.4.2", | ||
| "typescript-json-schema": "^0.63.0" | ||
| } | ||
| } |
New alerts
License Policy Violation
LicenseThis package is not allowed per your license policy. Review the package's license to ensure compliance.
Found 1 instance in 1 package
Major refactor
Supply chain riskPackage has recently undergone a major refactor. It may be unstable or indicate significant internal changes. Use caution when updating to versions that include significant changes.
Found 1 instance in 1 package
Fixed alerts
License Policy Violation
LicenseThis package is not allowed per your license policy. Review the package's license to ensure compliance.
Found 1 instance in 1 package
Major refactor
Supply chain riskPackage has recently undergone a major refactor. It may be unstable or indicate significant internal changes. Use caution when updating to versions that include significant changes.
Found 1 instance in 1 package
Improved metrics
- Total package byte prevSize
- increased by0.18%
14328
No dependency changes