cif_restraint_struct Struct Reference
#include <redchi.h>
Detailed Description
restraint data for the second column/data relation in
cif_dict_struct
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Data Fields |
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gint | type |
| | type of restraint (enum from cif_lib.h)
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gint | function |
| | if mod, what are we doing? (change, add, del)
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gchar * | name |
| | name of this restraint (if applicable)
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gchar * | comp_id [4] |
| | list of component/atom IDs involved
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gint | comp_num [4] |
| | which component number each atom comes from
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gchar * | symbol |
| | new symbol after applying a mod
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gchar * | energy |
| | new energy
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gdouble | charge |
| | new charge
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gint | ivalue |
| | integer parameter associated with the restraint (e.g. periodicity)
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gdouble | value |
| | value/target of the restraint
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gdouble | esd |
| | esd of the value/target
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The documentation for this struct was generated from the following file:
