- Preparing search index...
- The search index is not available
@rdkit/rdkit
Methods
add_hs
- add_hs(): string
-
Returns string
condense_abbreviations
- condense_abbreviations(): string
-
Returns string
- condense_abbreviations(maxCoverage: number, useLinkers: boolean): string
-
Parameters
-
maxCoverage: number
-
useLinkers: boolean
Returns string
condense_abbreviations_from_defs
- condense_abbreviations_from_defs(definitions: string, maxCoverage: number, useLinkers: boolean): string
-
Parameters
-
definitions: string
-
maxCoverage: number
-
useLinkers: boolean
Returns string
delete
- delete(): void
-
Returns void
draw_to_canvas
- draw_to_canvas(canvas: HTMLCanvasElement, width: number, height: number): void
-
Parameters
-
canvas: HTMLCanvasElement
-
width: number
-
height: number
Returns void
draw_to_canvas_with_highlights
- draw_to_canvas_with_highlights(canvas: HTMLCanvasElement, details: string): void
-
Parameters
-
canvas: HTMLCanvasElement
-
details: string
Returns void
draw_to_canvas_with_offset
- draw_to_canvas_with_offset(canvas: HTMLCanvasElement, offsetx: number, offsety: number, width: number, height: number): void
-
Parameters
-
canvas: HTMLCanvasElement
-
offsetx: number
-
offsety: number
-
width: number
-
height: number
Returns void
generate_aligned_coords
- generate_aligned_coords(templateMol: JSMol): string
-
Returns string
- generate_aligned_coords(templateMol: JSMol, useCoordGen: boolean): string
-
Parameters
-
templateMol: JSMol
-
useCoordGen: boolean
Returns string
- generate_aligned_coords(templateMol: JSMol, useCoordGen: boolean, allowOptionalAttachements: boolean): string
-
Parameters
-
templateMol: JSMol
-
useCoordGen: boolean
-
allowOptionalAttachements: boolean
Returns string
- generate_aligned_coords(templateMol: JSMol, useCoordGen: boolean, allowOptionalAttachements: boolean, acceptFailure: boolean): string
-
Parameters
-
templateMol: JSMol
-
useCoordGen: boolean
-
allowOptionalAttachements: boolean
-
acceptFailure: boolean
Returns string
get_aromatic_form
- get_aromatic_form(): string
-
Returns string
get_as_uint8array
- get_as_uint8array(): Uint8Array
-
Returns Uint8Array
get_cxsmarts
- get_cxsmarts(): string
-
Returns string
get_cxsmiles
- get_cxsmiles(): string
-
Returns string
get_descriptors
- get_descriptors(): string
-
Returns string
get_inchi
- get_inchi(): string
-
Returns string
get_json
- get_json(): string
-
Returns string
get_kekule_form
- get_kekule_form(): string
-
Returns string
get_molblock
- get_molblock(): string
-
Returns string
get_morgan_fp
- get_morgan_fp(): string
-
Returns string
- get_morgan_fp(radius: number, len: number): string
-
Parameters
-
radius: number
-
len: number
Returns string
get_morgan_fp_as_binary_text
- get_morgan_fp_as_binary_text(): string
-
Returns string
- get_morgan_fp_as_binary_text(radius: number, len: number): string
-
Parameters
-
radius: number
-
len: number
Returns string
get_morgan_fp_as_uint8array
- get_morgan_fp_as_uint8array(): Uint8Array
-
Returns Uint8Array
- get_morgan_fp_as_uint8array(radius: number, fplen: number): Uint8Array
-
Parameters
-
radius: number
-
fplen: number
Returns Uint8Array
get_new_coords
- get_new_coords(): string
-
Returns string
- get_new_coords(useCoordGen: boolean): string
-
Returns string
get_pattern_fp
- get_pattern_fp(): string
-
Returns string
- get_pattern_fp(len: number): string
-
Returns string
get_pattern_fp_as_binary_text
- get_pattern_fp_as_binary_text(): string
-
Returns string
- get_pattern_fp_as_binary_text(len: number): string
-
Returns string
get_pattern_fp_as_uint8array
- get_pattern_fp_as_uint8array(): Uint8Array
-
Returns Uint8Array
- get_pattern_fp_as_uint8array(fplen: number): Uint8Array
-
Returns Uint8Array
get_pickle
- get_pickle(): string
-
Returns string
get_prop
- get_prop(key: string): string
-
Returns string
get_prop_list
- get_prop_list(): string[]
-
Returns string[]
- get_prop_list(includePrivate: boolean): string[]
-
Returns string[]
- get_prop_list(includePrivate: boolean, includeComputed: boolean): string[]
-
Parameters
-
includePrivate: boolean
-
includeComputed: boolean
Returns string[]
get_smarts
- get_smarts(): string
-
Returns string
get_smiles
- get_smiles(): string
-
Returns string
get_stereo_tags
- get_stereo_tags(): string
-
Returns string
get_substruct_match
- get_substruct_match(q: JSMol): string
-
Returns string
get_substruct_matches
- get_substruct_matches(q: JSMol): string
-
Returns string
get_svg
- get_svg(): string
-
Returns string
- get_svg(width: number, height: number): string
-
Parameters
-
width: number
-
height: number
Returns string
get_svg_with_highlights
- get_svg_with_highlights(details: string): string
-
Returns string
get_v3Kmolblock
- get_v3Kmolblock(): string
-
Returns string
has_coords
- has_coords(): boolean
-
Returns boolean
has_prop
- has_prop(key: string): boolean
-
Returns boolean
is_valid
- is_valid(): boolean
-
Returns boolean
normalize_depiction
- normalize_depiction(): number
-
Returns number
- normalize_depiction(canonicalize: number): number
-
Returns number
- normalize_depiction(canonicalize: number, scaleFactor: number): number
-
Parameters
-
canonicalize: number
-
scaleFactor: number
Returns number
remove_hs
- remove_hs(): string
-
Returns string
set_new_coords
- set_new_coords(): boolean
-
Returns boolean
- set_new_coords(useCoordGen: boolean): boolean
-
Returns boolean
set_prop
- set_prop(key: string, val: string): boolean
-
Returns boolean
- set_prop(key: string, val: string, computed: boolean): boolean
-
Parameters
-
key: string
-
val: string
-
computed: boolean
Returns boolean
straighten_depiction
- straighten_depiction(): void
-
Returns void
Represents a molecule object generated by RDKit.js
Remarks
JSMol's are created using the RDKitModule.get_mol() methods.