Data Structures

Here are the data structures with brief descriptions:
alloc_dataAllocated data for refinement pointers
brestraint_structRestraint data for B factors (J. Appl. Cryst. (1996) 29, 100-104)
category_libStuff to actually read in from each component, link, mod
cif_atom_structAtom data used in CIF_ATOM dataypes in cif_dict_struct
cif_dict_structHash data for the dict_ entries in options_struct
cif_restraint_structRestraint data for the second column/data relation in cif_dict_struct
component_libComponents to read in from the master dictionary
constraint_structStores constraint callback functions/targets
file_structStores file data/information
find_dataUsed for coord_find_restraint
fit_funcPassed parameters during fitting
group_libList of all the possible group types
hkl_structData for sets of HKLs
hydrogen_structInformation to idealize hydrogens between refinement cycles
link_libLink information to read in from the master dictionary
lj_potential_structLennard-Jones parameters for calculating potential energy
mod_libMod information to read in from the master dictionary
model_funcData passed between the refinement functions
model_restraint_structHash data in model_struct - list of restraints applied for refinement
model_structTop level model structure data array
monomer_libMonomer libraries to read in by default
options_structRedchi program options
refine_structRefinement selection information
rem_dataData to be removed
restraint_structUsed to store relation data for model_restraint_struct
shift_structAtom shift structure, used as UDD data

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