Class RingCollection

Static MAX_SMALL_RING_SIZE

Static MODE_SMALL_AND_LARGE_RINGS

Static MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY

Static MODE_SMALL_RINGS_AND_AROMATICITY

Static MODE_SMALL_RINGS_ONLY

determineAromaticity

• determineAromaticity(isAromatic, isDelocalized, heteroPosition, includeTautomericBonds): void

• Parameters

  • isAromatic: boolean[]

  • isDelocalized: boolean[]

  • heteroPosition: number[]

  • includeTautomericBonds: boolean

  Returns void

getAtomIndex

• getAtomIndex(ringNo, atom): number

• Parameters

  • ringNo: number

  • atom: number

  Returns number

getAtomRingSize

• getAtomRingSize(atom): number

• Parameters

  • atom: number

  Returns number

getBondIndex

• getBondIndex(ringNo, bond): number

• Parameters

  • ringNo: number

  • bond: number

  Returns number

getBondRingSize

• getBondRingSize(bond): number

• Parameters

  • bond: number

  Returns number

getHeteroPosition

• getHeteroPosition(ringNo): number

• Parameters

  • ringNo: number

  Returns number

getOCL

• getOCL(): any

• Returns the OCL object.

  Returns any

getRingAtoms

• getRingAtoms(ringNo): number[]

• Parameters

  • ringNo: number

  Returns number[]

getRingBonds

• getRingBonds(ringNo): number[]

• Parameters

  • ringNo: number

  Returns number[]

getRingSize

• getRingSize(ringNo): number

• Parameters

  • ringNo: number

  Returns number

getSharedRing

• getSharedRing(bond1, bond2): number

• Parameters

  • bond1: number

  • bond2: number

  Returns number

getSize

• getSize(): number

• Returns number

isAromatic

• isAromatic(ringNo): boolean

• Parameters

  • ringNo: number

  Returns boolean

isAtomMember

• isAtomMember(ringNo, atom): boolean

• Parameters

  • ringNo: number

  • atom: number

  Returns boolean

isBondMember

• isBondMember(ringNo, bond): boolean

• Parameters

  • ringNo: number

  • bond: number

  Returns boolean

isDelocalized

• isDelocalized(ringNo): boolean

• Parameters

  • ringNo: number

  Returns boolean

qualifiesAsAmideTypeBond

• qualifiesAsAmideTypeBond(bond): boolean

• Parameters

  • bond: number

  Returns boolean

validateMemberIndex

• validateMemberIndex(ringNo, index): number

• Parameters

  • ringNo: number

  • index: number

  Returns number