Class SSSearcher

Basic substructure searcher.

Index

Constructors

Methods

getOCL isFragmentInMolecule setFragment setMol setMolecule

Constructors

constructor

new SSSearcher(): SSSearcher
Creates a new substructure searcher.

Returns SSSearcher
- Defined in types.d.ts:3072

Methods

getOCL

getOCL(): any
Returns the OCL object.

Returns any
- Defined in types.d.ts:3077

isFragmentInMolecule

isFragmentInMolecule(): boolean
Returns whether the current fragment is in the target molecule.

Returns boolean
- Defined in types.d.ts:3102

setFragment

setFragment(fragment): void
Set the fragment to search.
Parameters
- fragment: Molecule
  Molecule instance to set as fragment. It has to be flagged with setFragment(true) first.
Returns void
- Defined in types.d.ts:3084

setMol

setMol(fragment, molecule): void
Set the fragment and molecule in one call.
Parameters
- fragment: Molecule
- molecule: Molecule
Returns void
- Defined in types.d.ts:3097

setMolecule

setMolecule(molecule): void
Set the target molecule in which the search will be done.
Parameters
- molecule: Molecule
  Molecule instance to set as target molecule.
Returns void
- Defined in types.d.ts:3090