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.

See also

• OECIFData class

• CIF File Format section

Constructors

OECIFOptions()=default
OECIFOptions(const OECIFOptions &)=default

Default and copy a constructor that constructs an OECIFOptions object.

GetPerceiveEntity

bool GetPerceiveEntity() const

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

GetPerceiveChemComp

bool GetPerceiveChemComp() const

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

GetPerceiveCell

bool GetPerceiveCell() const

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

GetPerceiveSymmetry

bool GetPerceiveSymmetry() const

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

GetPerceiveStruct

void GetPerceiveStruct(const bool)

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

GetPerceiveExperimental

bool GetPerceiveExperimental(const bool)

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

GetPerceiveOther

void GetPerceiveOther(const bool)

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

SetPerceiveEntity

void SetPerceiveEntity(const bool)

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

SetPerceiveChemComp

void SetPerceiveChemComp(const bool)

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

SetPerceiveCell

void SetPerceiveCell(const 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

void SetPerceiveSymmetry(const 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

void SetPerceiveEntity(const bool)

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

SetPerceiveExperimental

void SetPerceiveExperimental(const bool)

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

SetPerceiveOther

void SetPerceiveOther(const bool)

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