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a few category ids and block names

herbert_bernstein (yaya@aip.org)
Fri, 1 Sep 95 13:23:03 EDT


For the following four items, I can't seem to find an explicit 
declaration of the item.category_id.  For the third one, I cannot
make the match even by implicit use of the appropriate save-frame
name, since the item name does not match the block name.  For the
others, there is such a match, and it seems that the DDL2.1.0
rules allow the item.category_id to be derived implicitly, but
I would suggest that for clarity and consistency that the
item.category_id be given explicitly.

_chem_link.type_comp_1
_chem_link.type_comp_2
_phasing_mir_der.set_id  <--- defined in _phasing_mir_der.der_set_id
_phasing_mir_der_refln.set_id

Here are two cases the program found where a block name fails to
match any of the item names within it (including the case above)

 ciftbx warning: cifdic.m95 save__phasing_mir_der.der_set_id line:  17247
  No name in the block matches the block name
 ciftbx warning: cifdic.m95 save__phasing_mir_der.native_set_id line:  17299
  No name in the block matches the block name

   -- Herbert J. Bernstein (yaya@aip.org)