OECIFOptions

class OECIFOptions

An option handling class for the OEUpdateMMCIFData function

and OECIFData.Update method in the OECIFData class. The CIF File Format section explains in more detail the perception process and what CIF attributes are affected when an OECIFOption is set to true for a given perception method.

Constructors

OECIFOptions() -> OECIFOptions
OECIFOptions(arg2: OECIFOptions) -> OECIFOptions

Default and copy a constructor that constructs an OECIFOptions object.

GetPerceiveEntity

GetPerceiveEntity() -> bool

A value of true will perceive all entity-related CIF attributes.

GetPerceiveChemComp

GetPerceiveChemComp() -> bool

A value of true will perceive all chemical component-related CIF attributes.

GetPerceiveCell

GetPerceiveCell() -> bool

A value of true will perceive CIF attributes related to the structure cell.

GetPerceiveSymmetry

GetPerceiveSymmetry() -> bool

A value of true will perceive CIF attributes related to structural symmetry.

GetPerceiveStruct

GetPerceiveStruct() -> bool

A value of true will perceive all struct or structure-related CIF attributes.

GetPerceiveExperimental

GetPerceiveExperimental() -> bool

A value of true will coordinate the experimental CIF attributes with the perceived header values.

GetPerceiveOther

GetPerceiveOther() -> bool

All remaining CIF categories not covered in the other perception options are coordinated with the perceived header values.

SetPerceiveEntity

SetPerceiveEntity(value: bool) -> bool

Sets whether to perceive entity-related CIF attributes during header updates when molecule data informs header values. Default is false.

SetPerceiveChemComp

SetPerceiveChemComp(value: bool) -> bool

Sets whether to perceive chemical component-related CIF attributes during header updates when molecule data informs header values. Default is false.

SetPerceiveCell

SetPerceiveCell(value: bool) -> bool

Sets whether to perceive CIF attributes related to the structure cell during header updates when molecule data informs header values. Default is false.

SetPerceiveSymmetry

SetPerceiveSymmetry(value: bool) -> bool

Sets whether to perceive CIF attributes related to the structural symmetry during header updates when molecule data informs header values. Default is false.

SetPerceiveStruct

SetPerceiveStruct(value: bool) -> bool

Sets whether to perceive struct or structure related CIF attributes during header updates when molecule data informs header values. Default is false.

SetPerceiveExperimental

SetPerceiveExperimental(value: bool) -> bool

Sets whether to coordinate experimental CIF attributes with the perceived header values. Default is false.

SetPerceiveOther

SetPerceiveOther(value: bool) -> bool

Sets whether to coordinate all remaining CIF categories not covered in the other perception options. Default is false.