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mass-fragmentation

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mass-fragmentation - npm Package Compare versions

Comparing version 1.11.0 to 1.11.1

lib/src/database/defaultDatabase.d.ts.map

1

lib/src/database/defaultDatabase.d.ts

@@ -15,1 +15,2 @@ export const defaultDatabase: {

}[];
//# sourceMappingURL=defaultDatabase.d.ts.map

9

lib/src/database/getDatabase.d.ts

@@ -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"
}

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