@@ -918,6 +918,17 @@ void FreeInfoAtomData(INF_ATOM_DATA *inf_at_data);
918918*/
919919
920920/* OAD_Edit */
921+
922+ /**
923+ * @brief Structure describing structure edits
924+ *
925+ * @param del_atom Array of deleted atom indices
926+ * @param del_bond Array of deleted bond indices
927+ * @param new_bond Array of new bond indices
928+ * @param mod_bond Array of modified bond indices
929+ * @param mod_coord Array of modified coordinate indices
930+ * @param del_side_chains Flag indicating whether to delete side chains
931+ */
921932typedef struct tagOAD_StructureEdits {
922933 INT_ARRAY * del_atom ;
923934 INT_ARRAY * del_bond ;
@@ -926,11 +937,39 @@ typedef struct tagOAD_StructureEdits {
926937 INT_ARRAY * mod_coord ;
927938 int del_side_chains ;
928939} OAD_StructureEdits ;
940+
941+ /**
942+ * @brief Initialize structure edits
943+ *
944+ * @param ed Pointer to structure edits
945+ * @return int Error status code
946+ */
929947int OAD_StructureEdits_Init (OAD_StructureEdits * ed );
948+
949+ /**
950+ * @brief Clear structure edits
951+ *
952+ * @param ed Pointer to structure edits
953+ */
930954void OAD_StructureEdits_Clear (OAD_StructureEdits * ed );
955+
956+ /**
957+ * @brief Debug print structure edits
958+ *
959+ * @param ed Pointer to structure edits
960+ */
931961void OAD_StructureEdits_DebugPrint (OAD_StructureEdits * ed );
932962
933963#if (RING2CHAIN == 1 )
964+
965+ /**
966+ * @brief Convert rings to chains in the original atom data
967+ *
968+ * @param ic Pointer to INCHI_CLOCK structure
969+ * @param pCG Pointer to CANON_GLOBALS structure
970+ * @param orig_inp_data Pointer to original atom data structure
971+ * @return int Status code or the number of ring cuts made
972+ */
934973int Ring2Chain (struct tagINCHI_CLOCK * ic , struct tagCANON_GLOBALS * pCG , ORIG_ATOM_DATA * orig_inp_data );
935974#endif
936975
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