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Added doxygen comments
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2 files changed

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INCHI-1-SRC/INCHI_BASE/src/inpdef.h

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@@ -918,6 +918,17 @@ void FreeInfoAtomData(INF_ATOM_DATA *inf_at_data);
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*/
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/* OAD_Edit */
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/**
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* @brief Structure describing structure edits
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*
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* @param del_atom Array of deleted atom indices
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* @param del_bond Array of deleted bond indices
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* @param new_bond Array of new bond indices
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* @param mod_bond Array of modified bond indices
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* @param mod_coord Array of modified coordinate indices
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* @param del_side_chains Flag indicating whether to delete side chains
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*/
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typedef struct tagOAD_StructureEdits {
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INT_ARRAY *del_atom;
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INT_ARRAY *del_bond;
@@ -926,11 +937,39 @@ typedef struct tagOAD_StructureEdits {
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INT_ARRAY *mod_coord;
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int del_side_chains;
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} OAD_StructureEdits;
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/**
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* @brief Initialize structure edits
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*
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* @param ed Pointer to structure edits
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* @return int Error status code
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*/
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int OAD_StructureEdits_Init(OAD_StructureEdits *ed);
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/**
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* @brief Clear structure edits
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*
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* @param ed Pointer to structure edits
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*/
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void OAD_StructureEdits_Clear(OAD_StructureEdits *ed);
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/**
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* @brief Debug print structure edits
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*
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* @param ed Pointer to structure edits
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*/
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void OAD_StructureEdits_DebugPrint(OAD_StructureEdits *ed);
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#if (RING2CHAIN == 1)
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/**
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* @brief Convert rings to chains in the original atom data
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*
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* @param ic Pointer to INCHI_CLOCK structure
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* @param pCG Pointer to CANON_GLOBALS structure
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* @param orig_inp_data Pointer to original atom data structure
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* @return int Status code or the number of ring cuts made
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*/
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int Ring2Chain(struct tagINCHI_CLOCK *ic, struct tagCANON_GLOBALS *pCG, ORIG_ATOM_DATA *orig_inp_data);
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#endif
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