mass-fragmentation
Advanced tools
Comparing version 1.11.0 to 1.11.1
@@ -15,1 +15,2 @@ export const defaultDatabase: { | ||
}[]; | ||
//# sourceMappingURL=defaultDatabase.d.ts.map |
@@ -11,6 +11,6 @@ /** | ||
export function getDatabase(options?: { | ||
kind?: ("ionization" | "resonance" | "reaction")[]; | ||
ionizations?: ("esi" | "ei")[]; | ||
modes?: ("positive" | "negative")[]; | ||
dwar?: string; | ||
kind?: ("reaction" | "resonance" | "ionization")[] | undefined; | ||
ionizations?: ("esi" | "ei")[] | undefined; | ||
modes?: ("positive" | "negative")[] | undefined; | ||
dwar?: string | undefined; | ||
}): { | ||
@@ -30,1 +30,2 @@ label: string; | ||
}[]; | ||
//# sourceMappingURL=getDatabase.d.ts.map |
@@ -23,1 +23,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=getDatabase.js.map |
@@ -12,6 +12,7 @@ /** | ||
export function fragment(molecule: import("openchemlib").Molecule, options?: { | ||
calculateHoseCodes?: boolean; | ||
cyclic?: boolean; | ||
acyclic?: boolean; | ||
full?: boolean; | ||
calculateHoseCodes?: boolean | undefined; | ||
cyclic?: boolean | undefined; | ||
acyclic?: boolean | undefined; | ||
full?: boolean | undefined; | ||
}): object; | ||
//# sourceMappingURL=fragment.d.ts.map |
@@ -40,1 +40,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=fragment.js.map |
@@ -10,4 +10,4 @@ /** | ||
export function fragmentAcyclicBonds(molecule: import("openchemlib").Molecule, options?: { | ||
calculateHoseCodes?: boolean; | ||
parentIDCode?: string; | ||
calculateHoseCodes?: boolean | undefined; | ||
parentIDCode?: string | undefined; | ||
}): { | ||
@@ -26,1 +26,2 @@ atomMap: any[]; | ||
}[]; | ||
//# sourceMappingURL=fragmentAcyclicBonds.d.ts.map |
@@ -115,1 +115,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=fragmentAcyclicBonds.js.map |
@@ -10,4 +10,4 @@ /** | ||
export function fragmentRings(molecule: import("openchemlib").Molecule, options?: { | ||
calculateHoseCodes?: boolean; | ||
parentIDCode?: string; | ||
calculateHoseCodes?: boolean | undefined; | ||
parentIDCode?: string | undefined; | ||
}): { | ||
@@ -29,1 +29,2 @@ atomMap: any[]; | ||
}[]; | ||
//# sourceMappingURL=fragmentRings.d.ts.map |
@@ -72,1 +72,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=fragmentRings.js.map |
@@ -16,4 +16,4 @@ /** | ||
OCL?: object; | ||
accuracy?: number; | ||
peaks?: MassPeak[]; | ||
accuracy?: number | undefined; | ||
peaks?: MassPeak[] | undefined; | ||
}): string; | ||
@@ -24,1 +24,2 @@ export type MassPeak = { | ||
}; | ||
//# sourceMappingURL=getFragmentationSVG.d.ts.map |
@@ -73,1 +73,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=getFragmentationSVG.js.map |
@@ -5,1 +5,2 @@ export * from "./fragment.js"; | ||
export * from "./database/getDatabase.js"; | ||
//# sourceMappingURL=index.d.ts.map |
@@ -21,1 +21,2 @@ "use strict"; | ||
__exportStar(require("./database/getDatabase.js"), exports); | ||
//# sourceMappingURL=index.js.map |
@@ -20,11 +20,12 @@ /** | ||
export function reactionFragmentation(oclMolecule: import("openchemlib").Molecule, options?: { | ||
ionizations?: ("esi" | "ei")[]; | ||
modes?: ("positive" | "negative")[]; | ||
maxDepth?: number; | ||
limitReactions?: number; | ||
dwar?: string; | ||
maxIonizations?: number; | ||
minIonizations?: number; | ||
minReactions?: number; | ||
maxReactions?: number; | ||
ionizations?: ("esi" | "ei")[] | undefined; | ||
modes?: ("positive" | "negative")[] | undefined; | ||
maxDepth?: number | undefined; | ||
limitReactions?: number | undefined; | ||
dwar?: string | undefined; | ||
maxIonizations?: number | undefined; | ||
minIonizations?: number | undefined; | ||
minReactions?: number | undefined; | ||
maxReactions?: number | undefined; | ||
}): object; | ||
//# sourceMappingURL=reactionFragmentation.d.ts.map |
@@ -85,1 +85,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=reactionFragmentation.js.map |
@@ -17,1 +17,2 @@ /** | ||
}[]; | ||
//# sourceMappingURL=getFragmentableRings.d.ts.map |
@@ -32,1 +32,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=getFragmentableRings.js.map |
@@ -8,1 +8,2 @@ /** | ||
export function getMasses(nodes: any[]): any[]; | ||
//# sourceMappingURL=getMasses.d.ts.map |
@@ -35,1 +35,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=getMasses.js.map |
@@ -17,1 +17,2 @@ /** | ||
}[]; | ||
//# sourceMappingURL=getRingsInfo.d.ts.map |
@@ -34,1 +34,2 @@ "use strict"; | ||
} | ||
//# sourceMappingURL=getRingsInfo.js.map |
{ | ||
"name": "mass-fragmentation", | ||
"version": "1.11.0", | ||
"version": "1.11.1", | ||
"description": "Code to fragment molecules", | ||
@@ -23,3 +23,3 @@ "main": "lib/src/index.js", | ||
"dependencies": { | ||
"mf-parser": "^3.2.5", | ||
"mf-parser": "^3.2.6", | ||
"openchemlib-utils": "^6.4.1", | ||
@@ -30,5 +30,5 @@ "react-tree-svg": "^1.4.0" | ||
"jsdom": "^25.0.1", | ||
"openchemlib": "^8.15.0" | ||
"openchemlib": "^8.17.0" | ||
}, | ||
"gitHead": "e253e875ae0257edbb15eb9a9e2cf276d661e226" | ||
"gitHead": "a5a0497a4a284ffcbeaf90a39baba0170a6b1e24" | ||
} |
Sorry, the diff of this file is too big to display
377900
60
Updatedmf-parser@^3.2.6