react-ngl
Version:
React wrapper for ngl
61 lines (60 loc) • 1.66 kB
TypeScript
/**
* @file Functional Groups
* @author Alexander Rose <alexander.rose@weirdbyte.de>
*/
import AtomProxy from '../proxy/atom-proxy';
/**
* Nitrogen in a quaternary amine
*/
export declare function isQuaternaryAmine(a: AtomProxy): boolean;
/**
* Nitrogen in a tertiary amine
*/
export declare function isTertiaryAmine(a: AtomProxy, idealValence: number): boolean;
/**
* Nitrogen in an imide
*/
export declare function isImide(a: AtomProxy): boolean;
/**
* Nitrogen in an amide
*/
export declare function isAmide(a: AtomProxy): boolean;
/**
* Sulfur in a sulfonium group
*/
export declare function isSulfonium(a: AtomProxy): boolean;
/**
* Sulfur in a sulfonic acid or sulfonate group
*/
export declare function isSulfonicAcid(a: AtomProxy): boolean;
/**
* Sulfur in a sulfate group
*/
export declare function isSulfate(a: AtomProxy): boolean;
/**
* Phosphor in a phosphate group
*/
export declare function isPhosphate(a: AtomProxy): boolean;
/**
* Halogen with one bond to a carbon
*/
export declare function isHalocarbon(a: AtomProxy): boolean;
/**
* Carbon in a carbonyl/acyl group
*/
export declare function isCarbonyl(a: AtomProxy): boolean;
/**
* Carbon in a carboxylate group
*/
export declare function isCarboxylate(a: AtomProxy): boolean;
/**
* Carbon in a guanidine group
*/
export declare function isGuanidine(a: AtomProxy): boolean;
/**
* Carbon in a acetamidine group
*/
export declare function isAcetamidine(a: AtomProxy): boolean;
export declare function isPolar(a: AtomProxy): boolean;
export declare function hasPolarNeighbour(a: AtomProxy): boolean;
export declare function hasAromaticNeighbour(a: AtomProxy): boolean;