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).

See also

• 2D Coordinate Generation chapter

• OE2DRingDictionary class

• OEWrite2DRingDictionary function

Constructors

OE2DRingDictionaryCreatorOptions()

Default constructor.

An OE2DRingDictionaryCreatorOptions object is initialized with the following default parameters:

• A ring system will be added to the dictionary even if a corresponding layout already exists in the built-in ring dictionary i.e. user-defined layout will have higher priority.

  See also OE2DRingDictionaryCreatorOptions::SetRetainExistingBuiltInTemplates method.

• If a ring system already exists in the given dictionary then the new ring template will be ignored i.e first-come first-register.

  See also OE2DRingDictionaryCreatorOptions::SetRetainExistingTemplates method.

• If a ring system has specified cis/trans bond stereo configuration then two layouts could be added to the ring dictionary: one with the cis/trans bond stereo configuration and one pure carbon skeleton without any bond stereo configuration.

  See also OE2DRingDictionaryCreatorOptions::SetAddCarbonSkeleton and OE2DRingDictionaryCreatorOptions::SetAddCarbonSkeletonWithBondStereo methods.

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.

See also

• OE2DRingDictionaryCreatorOptions::SetAddCarbonSkeleton method

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.

See also

• OE2DRingDictionaryCreatorOptions::SetAddCarbonSkeletonWithBondStereo method

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.

See also

• OE2DRingDictionaryCreatorOptions::SetRetainExistingBuiltInTemplates method

GetRetainExistingTemplates

bool GetRetainExistingTemplates() const

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

See also

• OE2DRingDictionaryCreatorOptions::SetRetainExistingTemplates method

SetAddCarbonSkeleton

void SetAddCarbonSkeleton(bool add)

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

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.

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.