OE2DRingDictionaryCreatorOptions

class OE2DRingDictionaryCreatorOptions

This class represents the OE2DRingDictionaryCreatorOptions class that encapsulates properties that determine how a ring template is added to a ring template dictionary (OE2DRingDictionary).

Constructors

OE2DRingDictionaryCreatorOptions()

Default constructor.

An OE2DRingDictionaryCreatorOptions object is initialized with the following default parameters:

OE2DRingDictionaryCreatorOptions(const OE2DRingDictionaryCreatorOptions &rhs)

Copy constructor.

operator=

OE2DRingDictionaryCreatorOptions &
  operator=(const OE2DRingDictionaryCreatorOptions &rhs)

Assignment operator.

GetAddCarbonSkeleton

bool GetAddCarbonSkeleton() const

Returns whether the carbon skeleton of a ring system is added to the dictionary. The default value is true.

GetAddCarbonSkeletonWithBondStereo

bool GetAddCarbonSkeletonWithBondStereo() const

Returns whether the carbon skeleton of a ring system retaining cis/trans bond stereo configuration is added to the dictionary. The default value is true.

GetRetainExistingBuiltInTemplates

bool GetRetainExistingBuiltInTemplates() const

Sets whether a ring system will be added to the dictionary even if a corresponding layout already exists in the built-in ring dictionary.

GetRetainExistingTemplates

bool GetRetainExistingTemplates() const

Returns whether to override the ring template that already exists in the dictionary.

SetAddCarbonSkeleton

void SetAddCarbonSkeleton(bool add)

Sets whether the carbon skeleton of a ring system is added to the dictionary.

../../_images/OE2DRingDictionaryCreatorOptions_AddCarbonSkeleton.png

Example of extracting the carbon skeleton of a ring system

SetAddCarbonSkeletonWithBondStereo

void SetAddCarbonSkeletonWithBondStereo(bool add)

Sets whether the carbon skeleton of a ring system retaining cis/trans bond stereo configuration is added to the dictionary. The default value is true.

../../_images/OE2DRingDictionaryCreatorOptions_AddCarbonSkeletonWithBondStereo.png

Example of extracting the carbon skeleton of a ring system with cis/trans bond stereo configuration

SetRetainExistingBuiltInTemplates

void SetRetainExistingBuiltInTemplates(bool)

Sets whether a ring system will be added to the dictionary even if a corresponding layout already exists in the built-in ring dictionary. The default value is false i.e. user-defined ring layouts will have higher priority than the built-in ring templates.

SetRetainExistingTemplates

void SetRetainExistingTemplates(bool)

Sets whether to override the ring template that already exists in the dictionary. The default value is false i.e. the new user-defined ring template will be ignored.