Interface IRGroupList

 All Known Implementing Classes:
RGroupList
public interface IRGroupList
Represents a list of Rgroup substitutes to be associated with some key in anIRGroupQuery
. Author:
 John Mayfield


Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description String
getOccurrence()
Occurrence required: n : exactly n ; n  m : n through m ; > n : greater than n ; < n : fewer than n ; default (blank) is > 0 ; Any noncontradictory combination of the preceding values is also allowed; for example "1, 37, 9, >11".int
getRequiredRGroupNumber()
Access the dependant Rgroup number if R1 then R2.int
getRGroupNumber()
Get the Rgroup number, for example R1 => 1.List<IRGroup>
getRGroups()
Access the list of possible RGroups.boolean
isRestH()
Indicates that sites labeled with this Rgroup may only be substituted with a member of the Rgroup or with hydrogen.List<Integer>
matchOccurence(int maxAttachments)
Matches the 'occurrence' condition with a provided maximum number of RGroup attachments.



Method Detail

getRGroupNumber
int getRGroupNumber()
Get the Rgroup number, for example R1 => 1. Returns:
 the Rgroup number

getRequiredRGroupNumber
int getRequiredRGroupNumber()
Access the dependant Rgroup number if R1 then R2. Returns:
 the required Rgroup number.

isRestH
boolean isRestH()
Indicates that sites labeled with this Rgroup may only be substituted with a member of the Rgroup or with hydrogen.

matchOccurence
List<Integer> matchOccurence(int maxAttachments)
Matches 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. Parameters:
maxAttachments
 number of attachments Returns:
 valid values by combining a max for R# with the occurrence cond.

getOccurrence
String getOccurrence()
Occurrence required: n : exactly n ;
 n  m : n through m ;
 > n : greater than n ;
 < n : fewer than n ;
 default (blank) is > 0 ;

