inchi_gui.h

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/*
 * SPDX-License-Identifier: MIT
 * Copyright (c) 2024 IUPAC and InChI Trust
 */
 
 
#ifndef _INCHI_GUI_H_
#define _INCHI_GUI_H_
 
 
#include "strutil.h"
#include "ichicomn.h"
 
 
#ifndef COMPILE_ANSI_ONLY
 
struct tagCANON_GLOBALS;
 
 
int DisplayStructure( struct tagCANON_GLOBALS *pCG,
                      inp_ATOM *at,
                      int num_at,
                      OAD_Polymer *polymer,
                      int num_removed_H,
                      int bAdd_DT_to_num_H,
                      int nNumRemovedProtons,
                      NUM_H nNumRemovedProtonsIsotopic[],
                      int bIsotopic,
                      int j /*bTautomeric*/,
                      INChI **cur_INChI,
                      INChI_Aux **cur_INChI_Aux,
                      int bAbcNumbers,
                      DRAW_PARMS *dp,
                      INCHI_MODE nMode,
                      char *szTitle );
 
int DisplayCompositeStructure( struct tagCANON_GLOBALS *pCG,
                               COMP_ATOM_DATA *composite_norm_data,
                               OAD_Polymer *polymer,
                               int bIsotopic,
                               int bTautomeric,
                               PINChI2 *pINChI2,
                               PINChI_Aux2 *pINChI_Aux2,
                               int bAbcNumbers,
                               DRAW_PARMS *dp,
                               INCHI_MODE nMode,
                               char *szTitle );
 
 
int DisplayTheWholeStructure( struct tagCANON_GLOBALS *pCG,
                              struct tagINCHI_CLOCK *ic,
                              struct tagStructData *sd,
                              INPUT_PARMS *ip,
                              char *szTitle,
                              INCHI_IOSTREAM *inp_file,
                              INCHI_IOSTREAM *log_file,
                              ORIG_ATOM_DATA *orig_inp_data,
                              long num_inp,
                              int iINChI,
                              int bShowStruct,
                              int bINCHI_LIB_Flag );
 
int DisplayTheWholeCompositeStructure( struct tagCANON_GLOBALS *pCG,
                                       struct tagINCHI_CLOCK *ic,
                                       INPUT_PARMS *ip,
                                       struct tagStructData *sd,
                                       long num_inp,
                                       int iINChI,
                                       PINChI2 *pINChI2,
                                       PINChI_Aux2 *pINChI_Aux2,
                                       ORIG_ATOM_DATA *orig_inp_data,
                                       ORIG_ATOM_DATA *prep_inp_data,
                                       COMP_ATOM_DATA composite_norm_data[TAUT_NUM + 1] );
 
 
void FillTableParms( SET_DRAW_PARMS *sdp,
                     INChI **cur_INChI,
                     INChI_Aux **cur_INChI_Aux,
                     INCHI_MODE nMode,
                     int bShowIsotopic,
                     int bShowTaut );
 
void FillCompositeTableParms( SET_DRAW_PARMS *sdp,
                              AT_NUMB StereoFlags,
                              INCHI_MODE nMode,
                              int bShowIsotopic,
                              int bShowTaut );
 
#endif
 
#endif /* _INCHI_GUI_H_ */