All Methods Instance Methods Abstract Methods Modifier and Type Method Description
getOccurrence()Occurrence required: n : exactly n ; n - m : n through m ; > n : greater than n ; < n : fewer than n ; default (blank) is > 0 ; Any non-contradictory combination of the preceding values is also allowed; for example "1, 3-7, 9, >11".
getRequiredRGroupNumber()Access the dependant Rgroup number if R1 then R2.
getRGroupNumber()Get the Rgroup number, for example R1 => 1.
getRGroups()Access the list of possible RGroups.
isRestH()Indicates that sites labeled with this Rgroup may only be substituted with a member of the Rgroup or with hydrogen.
matchOccurence(int maxAttachments)Matches the 'occurrence' condition with a provided maximum number of RGroup attachments.
int getRGroupNumber()Get the Rgroup number, for example R1 => 1.
- the Rgroup number
int getRequiredRGroupNumber()Access the dependant Rgroup number if R1 then R2.
- the required Rgroup number.
matchOccurenceMatches the 'occurrence' condition with a provided maximum number of RGroup attachments. Returns the valid occurrences (numeric) for these two combined. If none found, returns empty list.
Example: if R1 occurs 3 times attached to some root structure, then stating ">5" as an occurrence for that RGoupList does not make sense: the example R1 can occur 0..3 times. Empty would be returned.
If the occurence would be >2, then 3 would be returned. Etcetera.
maxAttachments- number of attachments
- valid values by combining a max for R# with the occurrence cond.
- n : exactly n ;
- n - m : n through m ;
- > n : greater than n ;
- < n : fewer than n ;
- default (blank) is > 0 ;