OEMolStyleColorer

class OEMolStyleColorer

This class represents OEMolStyleColorer.

The OEMolStyleColorer class is the abstract interface for coloring a 3D molecule within OEChem. The OEMolStyleColorer is set within a OE3DMolStyle utilizing OE3DMolStyle.SetAtomColorer, OE3DMolStyle.SetAtomLabelColorer, OE3DMolStyle.SetGridContourColorer, OE3DMolStyle.SetProteinColorer, OE3DMolStyle.SetProteinColorer, and OE3DMolStyle.SetSurfaceColorer. The OEMolStyleColorer can be applied to the initial molecule, but can also applied to its conformers and atoms. The hierarchy between the different OEMolStyleColorers dictates that the settings specified on the atom supersede those set on the conformer, and likewise, the settings specified on the conformer will override those on the molecule.

Constructors

OEMolStyleColorer() -> OEMolStyleColorer
OEMolStyleColorer(col: OEColor) -> OEMolStyleColorer
OEMolStyleColorer(other: OEMolStyleColorer) -> OEMolStyleColorer
OEMolStyleColorer(colorScheme: int) -> OEMolStyleColorer
OEMolStyleColorer(colorScheme: int, defaultColor: OEColor) -> OEMolStyleColorer
OEMolStyleColorer(propertyName: str) -> OEMolStyleColorer
OEMolStyleColorer(propertyName: str, defaultColor: OEColor) -> OEMolStyleColorer

Default and copy constructors.

AddColor

AddColor(value: int, col: OEColor) -> bool
AddColor(value: float, col: OEColor) -> bool
AddColor(value: str, col: OEColor) -> bool

Adds OEColor to OEMolStyleColorer.

ClearColors

ClearColors() -> None

Clears all of the color maps in the OEMolStyleColorer.

GetColor

GetColor() -> OEColor
GetColor(val: int) -> OEColor
GetColor(val: float) -> OEColor
GetColor(val: str) -> OEColor
GetColor(val: float, scaleMin: float, scaleMax: float) -> OEColor

Returns a OEColor set in the OEMolStyleColorer. The function with no arguments will return the default color set in the OEMolStyleColorer. The functions with arguments will search for the color in the repected map based of the inputted value.

GetColorScheme

GetColorScheme() -> int

Returns a integer that specifies the color scheme set in the OEMolStyleColorer.

GetDataTypes

GetDataTypes() -> int

Returns a integer that specifies the data type set in the OEMolStyleColorer.

GetDefaultColor

GetDefaultColor() -> OEColor

Returns the OEColor set as the default color in the OEMolStyleColorer.

GetNumColors

GetNumColors() -> int

Returns the number of colors set in all of the maps of the OEMolStyleColorer.

GetPropertyName

GetPropertyName() -> str

Returns a string that specifies the color scheme name set in the OEMolStyleColorer.

GetValues

GetValues(vals: OEIntVector) -> bool
GetValues(vals: OEDoubleVector) -> bool
GetValues(vals: OEStringVector) -> bool

Returns a boolean indicating if the specified map has any data. The map that is searched is indicated by the data being stored in the vector. This data is pushed into the reference vector.

SetDefaultColor

SetDefaultColor(col: OEColor) -> None

Sets an OEColor as the default color in the OEMolStyleColorer.

See also

• OE3DMolStyle