From: Peter Murray-R. <pm...@ca...> - 2003-02-21 20:20:39
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At 17:54 21/02/2003 +0000, Egon Willighagen wrote: > RFC CDK #11 > > Name: change AtomType.getID() into AtomType.getAtomTypeName() > Proposed: 2003-02-21 > > PROPOSAL > >Change the method name of AtomType.getID() into AtomType.getAtomTypeName() and >add two new methods ChemObject.getID() and .setID(). > > REASON > >This would allow to put a getID() method into the ChemObject class, which >would resemble the id concept in XML files, where an elements id is a unique >code to this object, like the hashcode in Java. However, a hashcode is not to >be set manually, for this I have the get/setID() method in mind. Thank you - this would solve the problem of passing atoms from CML into CDK and then re-using them with knowledge that the atom identities could be maintained. (It assumes that IDs will not be reset within CDK). Can the same ID flags be put on other objects such as Bonds and Molecules? P. |