/*
FILE:     CifFile.h
*/
/*
VERSION:  4
*/
/*
DATE:     6/17/2002
*/
/*
  Comments and Questions to: sw-help@rcsb.rutgers.edu
*/
/*
COPYRIGHT 1999-2002 Rutgers - The State University of New Jersey

This software is provided WITHOUT WARRANTY OF MERCHANTABILITY OR
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use of this software.  This indemnification shall include, but is
not limited to, any and all claims alleging products liability.
*/
/*
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*/
/* **************************************************************** *

  PURPOSE:      This file contains the definitions of class
                CifFile

 * **************************************************************** */

#ifndef H_CIFFILE
#define H_CIFFILE

#include <stdio.h>
#include <stdlib.h>
#include <sys/types.h>
#include <sys/stat.h>
#include <dirent.h>
#include <iostream.h>

#include "CifString.h"
#include "CifDefs.h"
#include "CifErrorCodes.h"
#include "CifAnon.h"
#include "CifFileIo.h"
#include "CifItemValue.h"
#include "CifDataItem.h"
#include "CifDataBlock.h"
#include "ReVarCifArray.h"

class CifFile {

  CifDataBlock   _globalInformation;
  ReVarCifArray <CifDataBlock> _dataBlocks;

 public:
  CifFile() {};
  void PermanentWrite(const char *fileName);
  int PermanentRead(const char *filename, 
		    const char *dicFileName = NULL,
		    const char *dicDataBlockName = NULL);
  int ReadFile(const char *filename, 
	       const char *dicDatablockName = NULL,
	       const int verifyFlag = CIF_VERIFICATION_SET_FLAG);
  int WriteFile(const char *filename, 
		const char *outputFileName, 
		const char type, 
		const int writeComment = TRUE, 
		const int esdFlag = TRUE,
		const char *dictionary = NULL,
		const char *version = NULL);

  int WriteDataBlock(const char *outputFileName, 
		     const char type, 
		     const char *Datablock_name, 
		     const int writeComment=TRUE,
		     const int esdFlag = TRUE, 
		     const char *dictionary = NULL,
		     const char *version = NULL );
  void Print() const;
  void PrintDetails() const;
  void PrintTable() const;
  void PrintDiagnostics();
  void PrintDataBlock(const int dataBlockIndex);
  void PrintDataBlockDetails(const int dataBlockIndex);
  void PrintDataBlockTable(const int dataBlockIndex);
  void FreeExtra();
  CifFile &Copy(const CifFile &file);

  int CountDataBlocks() { return _dataBlocks.Length();}
  int CountCategories(const int dataBlockIndex);
  int CountItem(const int dataBlockIndex, const int categoryIndex);
  int CountItem(const int dataBlockIndex, const CifString categoryName);
  int CountRows(const int dataBlockIndex, const int categoryIndex);

  int GetIndex(const char *Datablock_name);
  int GetIndex(const CifString Datablock_name);

  int GetCategoryIndex(const int dataBlockIndex, const CifString categoryName) ;
  int GetCategoryIndex(const int dataBlockIndex, const char *categoryName) ;
  CifString *GetCategoryName(const int dataBlockIndex, const int categoryIndex) ;
  CifString *GetItemKeyword(const int dataBlockIndex, const int categoryIndex, 
		       const int itemIndex);
  CifString *GetItemName(const int dataBlockIndex, const int categoryIndex, 
		       const int itemIndex);
  CifString *GetItemAliasName(const int dataBlockIndex, const int categoryIndex, 
			   const int itemIndex, const CifString * dictionary
                           = NULL, const CifString * version = NULL);
  int GetItemIndex(const int dataBlockIndex, const int categoryIndex, 
		   const char *itemKeyword);

  CifCategoryIndex *GetTableIndex(const int dataBlockIndex, const char *category, const char *itemName);
  CifCategoryIndex *GetTableIndex(const int dataBlockIndex, const CifString category, const CifString itemName);

  CifCategoryIndex *GetTableIndex(const int dataBlockIndex, const char *itemName);
  CifCategoryIndex *GetTableIndex(const int dataBlockIndex, const CifString itemName);

  int CountDataBlockWarnings(const int dataBlockIndex);
  int CountDataBlockErrors(const int dataBlockIndex) ;
  ReVarCifArray <CifString> *GetDataBlockErrors(const int dataBlockIndex);
  ReVarCifArray <CifString> *GetDataBlockWarnings(const int dataBlockIndex);
  void FreeDataBlockWarnings(const int dataBlockIndex);
  void FreeDataBlockErrors(const int dataBlockIndex);
  CifString *GetDataBlockWarning(const int dataBlockIndex, const int warningIndex);
  CifString *GetDataBlockError(const int dataBlockIndex, const int errorIndex);
  void FreeDataBlockWarning(const int dataBlockIndex, const int warningIndex);
  void FreeDataBlockError(const int dataBlockIndex, const int errorIndex);
  

  ReVarCifArray <CifString> *GetCategoryKeys(const CifString dataBlockName,
				      const CifString categoryName);
  ReVarCifArray <CifString> *GetCategoryKeys(const int dataBlockIndex, const int categoryIndex);

  CifCategory *GetItemAttribute(const CifString dataBlockIndex,
				       const CifItemValue *matchedItemValue,
				       const CifString matchedItemKeyword, 
				       const CifString categoryName,
				       const CifString itemKeyword);

  ReVarCifArray <CifItemValue> *GetColumnItemValues(const int dataBlockIndex, const int categoryIndex,
					      const int itemIndex);
  ReVarCifArray <CifItemValue> *GetColumnItemValues(const CifString dataBlockName, 
					      const CifString categoryName,
					      const CifString itemKeyword);

  int GetItemDataType(const int dataBlockIndex, const int categoryIndex,
		  const int itemIndex);
  int GetItemDataType(const int dataBlockIndex, const CifString categoryName,
		  const CifString itemName);

  int GetItemStructureIndex(const int dataBlockIndex, const int categoryIndex,
			    const int itemIndex);
  int GetItemStructureIndex(const int dataBlockIndex, const CifString categoryName,
			    const CifString itemName);

  int GetItemStructureNumValue(const int dataBlockIndex, const int categoryIndex,
				const int itemIndex);
  int GetItemStructureNumValue(const int dataBlockIndex, const CifString categoryName,
				const CifString itemName);
  int GetItemStructureDimension(const int dataBlockIndex, const int categoryIndex,
				const int itemIndex);
  int GetItemStructureDimension(const int dataBlockIndex, const CifString categoryName,
				const CifString itemName);
  int GetItemStructureOrganization(const int dataBlockIndex, const int categoryIndex,
				   const int itemIndex);
  int GetItemStructureOrganization(const int dataBlockIndex, const CifString categoryName,
				   const CifString itemName);

  int GetItemCaseSensitivity(const int dataBlockIndex, const int categoryIndex,
			     const int itemIndex);
  int GetItemCaseSensitivity(const int dataBlockIndex, const CifString categoryIndex,
			     const CifString itemIndex);
  
  CifItemValue *GetItemDefaultValue(const int dataBlockIndex, const int categoryIndex,
				 const int itemIndex);
  CifItemValue *GetItemDefaultValue(const int dataBlockIndex, const CifString category,
				 const CifString item);

  CifString *GetItemPrimitiveCode(const int dataBlockIndex, const int categoryIndex,
				 const int itemIndex);
  CifString *GetItemPrimitiveCode(const int dataBlockIndex, const CifString category,
				 const CifString item);
  CifString *GetItemDataTypeCode(const int dataBlockIndex, const int categoryIndex,
				 const int itemIndex);
  CifString *GetItemDataTypeCode(const int dataBlockIndex, const CifString category,
				 const CifString item);
  int GetDataBlockDictionaryIndex(const int dataBlockIndex) ;
  CifString *GetDataBlockName(const int dataBlockIndex) ;
  CifString *GetDataBlockFileName(const int dataBlockIndex) ;
  long   GetDataBlockFileOffset(const int dataBlockIndex) ;
  long   GetItemFileOffset(const int dataBlockIndex, const char *name) ;
  long   GetItemFileOffset(const int dataBlockIndex, const CifString name) ;

  int GetItemValue(CifItemValue **itemValue, const int dataBlockIndex,
	       const int categoryIndex, const int itemIndex, const int row_index);
  int GetItemValue(CifString **itemValue, const int dataBlockIndex, const int categoryIndex, 
	       const int itemIndex, const int row_index);
  int GetItemValue(CifItemValue **itemValue, const int dataBlockIndex,const CifString categoryName,
	       const CifString item_label, const int row_index);
  int GetItemValue(CifString **itemValue, const int dataBlockName, const CifString categoryName, 
	       const CifString item_label, const int row_index);

  int UpdateItemValue(CifItemValue *itemValue, const int dataBlockIndex, const int categoryIndex,
		  const int itemIndex, const int row_index, const int verifyFlag);
  int UpdateItemValue(CifItemValue *itemValue, const int dataBlockIndex,
		  const CifString categoryName, const CifString item_label, 
		  const int row_index, const int verifyFlag);

  int InsertItemValue(CifItemValue *itemValue, const int dataBlockIndex,
		  const int categoryIndex, const int itemIndex, 
		  const int row_index, const int verifyFlag);
  int InsertItemValue(CifItemValue *itemValue, const int dataBlockIndex,
		  const CifString categoryName,
		  const CifString item_label, const int row_index,
		  const int verifyFlag);

  int DeleteItemValue(const int dataBlockIndex,const int categoryIndex, 
		  const int itemIndex, const int row_index,
		  const int verifyFlag);
  int DeleteItemValue(const int dataBlockIndex , const CifString categoryName,
		  const CifString item_label, const int row_index,
		  const int verifyFlag);
  ReVarCifArray <CifCategoryIndex> *GetLinkParents(const int dataBlockIndex, 
					       const int categoryIndex, 
					       const int itemIndex);
  ReVarCifArray <CifCategoryIndex> *GetLinkParents(const int dataBlockIndex, 
					       const CifString categoryName,
					       const CifString item_label);
  ReVarCifArray <CifCategoryIndex> *GetLinkChildren(const int dataBlockIndex, 
						const int categoryIndex, 
						const int itemIndex);
  ReVarCifArray <CifCategoryIndex> *GetLinkChildren(const int dataBlockIndex, 
						const CifString categoryName,
						const CifString item_label);

  ReVarCifArray <CifCategoryIndex> *GetDependentItems(const int dataBlockIndex, 
						  const int categoryIndex, 
						  const int itemIndex);
  ReVarCifArray <CifCategoryIndex> *GetDependentItems(const int dataBlockIndex, 
						  const CifString categoryName,
						  const CifString item_label);
  ReVarCifArray <CifRelatedItem> *GetRelatedItems(const int dataBlockIndex, 
						 const int categoryIndex, 
						 const int itemIndex);
  ReVarCifArray <CifRelatedItem> *GetRelatedItems(const int dataBlockIndex, 
						 const CifString categoryName,
						 const CifString item_label);
  int MergeDataBlock(const char *new_dataBlockName, const int dataBlockIndex1,
		      const int dataBlockIndex2);
  void DeleteDataBlock(const int dataBlockIndex);
  void CheckDataBlock(const int dataBlockIndex);
  CifDataBlock *GetDictionaryDataBlock(const int dataBlockIndex);
  CifDataBlock *AddDatablock(const int dictionaryIndex,const CifString dataBlockName);
  CifDataBlock *AddDatablock(const int dictionaryIndex,const char *dataBlockName); 
  CifCategory* AddCategory(const int dataBlockIndex, 
				       const CifString categoryName);
  CifCategory* AddCategory(const int dataBlockIndex, const char *categoryName);
  CifDataItem* AddDataItem(const int dataBlockIndex,
			     const int categoryIndex, const CifString itemName);
  CifDataItem* AddDataItem(const int dataBlockIndex, 
			     const int categoryIndex, const char *itemName);
  int AddRow(const int dataBlockIndex, const int categoryIndex);
  void ErrorMessage(const int dataBlockIndex, const int errorFlag, const char *message);
  void ErrorMessage(const int dataBlockIndex, const int errorFlag, const CifString message);
};


// *********************************************************************
//      CifFile inline functions
// *********************************************************************

inline int CifFile::GetIndex(const CifString Datablock_label)
{
  return GetIndex(Datablock_label.Text());
}

inline void CifFile::FreeExtra()
{
  _dataBlocks.FreeExtra();
}

inline int CifFile::CountCategories(const int dataBlockIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return 0;
  else return _dataBlocks[dataBlockIndex].CountCategories();
}

inline ReVarCifArray <CifString> * CifFile::GetCategoryKeys(const int dataBlockIndex, 
						       const int categoryIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifString> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetCategoryKeys(categoryIndex);
}

inline ReVarCifArray <CifString> * CifFile::GetCategoryKeys(const CifString dataBlockName, 
						      const CifString categoryName)
{
  int dataBlockIndex;
  dataBlockIndex = GetIndex(dataBlockName);

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifString> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetCategoryKeys(categoryName);
}

inline CifCategory * 
 CifFile::GetItemAttribute(const CifString dataBlockName,
			    const CifItemValue *matchedItemValue,
			    const CifString matchedItemKeyword, 
			    const CifString categoryName,
			    const CifString itemKeyword)
{
  int dataBlockIndex;
  dataBlockIndex = GetIndex(dataBlockName);

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (CifCategory *) NULL;
  else return _dataBlocks[dataBlockIndex].GetItemAttribute(matchedItemValue,
							  matchedItemKeyword, 
							  categoryName,
							  itemKeyword);
}

inline ReVarCifArray <CifItemValue> * 
 CifFile::GetColumnItemValues(const int dataBlockIndex,
			       const int categoryIndex,
			       const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifItemValue> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetColumnItemValues(categoryIndex, itemIndex);
}

inline ReVarCifArray <CifItemValue> *
 CifFile::GetColumnItemValues(const CifString dataBlockName,
			       const CifString categoryName,
			       const CifString itemKeyword) 

{
  int dataBlockIndex;
  dataBlockIndex = GetIndex(dataBlockName);

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifItemValue> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetColumnItemValues(categoryName, itemKeyword);
}

inline int CifFile::CountItem(const int dataBlockIndex, const int categoryIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return 0;
  else return _dataBlocks[dataBlockIndex].CountItem(categoryIndex);
}
inline int CifFile::CountItem(const int dataBlockIndex, const CifString categoryName)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return 0;
  else return _dataBlocks[dataBlockIndex].CountItem(categoryName);
}
inline int CifFile::CountRows(const int dataBlockIndex, const int categoryIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return 0;
  else return _dataBlocks[dataBlockIndex].CountRows(categoryIndex);
}
inline CifString *CifFile::GetCategoryName(const int dataBlockIndex, const int categoryIndex)
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetCategoryName(categoryIndex);
}
inline CifCategoryIndex *CifFile::GetTableIndex(const int dataBlockIndex, 
						const char *categoryName, 
						const char *item_label)
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (CifCategoryIndex *) NULL;
  else return _dataBlocks[dataBlockIndex].GetTableIndex(categoryName, item_label);
}
inline CifCategoryIndex *CifFile::GetTableIndex(const int dataBlockIndex, 
						const CifString categoryName, 
						const CifString item_label)
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (CifCategoryIndex *) NULL;
  else return _dataBlocks[dataBlockIndex].GetTableIndex(categoryName, item_label);
}
inline CifCategoryIndex *CifFile::GetTableIndex(const int dataBlockIndex, 
						const char *itemName)
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (CifCategoryIndex *) NULL;
  else return _dataBlocks[dataBlockIndex].GetTableIndex(itemName);
}
inline CifCategoryIndex *CifFile::GetTableIndex(const int dataBlockIndex, 
						const CifString itemName) 
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (CifCategoryIndex *) NULL;
  else return _dataBlocks[dataBlockIndex].GetTableIndex(itemName);
}
inline int CifFile::GetCategoryIndex(const int dataBlockIndex, 
				      const CifString categoryName)
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return -1;
  else return _dataBlocks[dataBlockIndex].GetIndex(categoryName);
}
inline int CifFile::GetCategoryIndex(const int dataBlockIndex, 
				      const char *categoryName)
{

  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return -1;
  else return _dataBlocks[dataBlockIndex].GetIndex(categoryName);
}
inline CifString *CifFile::GetItemKeyword(const int dataBlockIndex,
				    const int categoryIndex, const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetItemKeyword(categoryIndex, itemIndex);
}
inline int CifFile::GetItemIndex(const int dataBlockIndex,
				  const int categoryIndex, const char *itemKeyword) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  -1;
  else return _dataBlocks[dataBlockIndex].GetItemIndex(categoryIndex, itemKeyword);
}
inline CifString *CifFile::GetItemName(const int dataBlockIndex,
				    const int categoryIndex, const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetItemName(categoryIndex, itemIndex);
}
inline CifString *CifFile::GetItemAliasName(const int dataBlockIndex,
				    const int categoryIndex, const int itemIndex, const CifString * dictionary, const CifString * version) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetItemAliasName(categoryIndex, itemIndex, dictionary, version);
}











inline int CifFile::GetItemStructureIndex(const int dataBlockIndex, 
				 const int categoryIndex,
				 const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureIndex(categoryIndex, itemIndex);
}
inline int CifFile::GetItemStructureIndex(const int dataBlockIndex, 
					  const CifString categoryName,
					  const CifString itemName) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureIndex(categoryName, itemName);
}
inline int CifFile::GetItemStructureNumValue(const int dataBlockIndex, 
				 const int categoryIndex,
				 const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureNumValue(categoryIndex, itemIndex);
}
inline int CifFile::GetItemStructureNumValue(const int dataBlockIndex, 
					  const CifString categoryName,
					  const CifString itemName) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureNumValue(categoryName, itemName);
}
inline int CifFile::GetItemStructureDimension(const int dataBlockIndex, 
				 const int categoryIndex,
				 const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureDimension(categoryIndex, itemIndex);
}
inline int CifFile::GetItemStructureDimension(const int dataBlockIndex, 
					  const CifString categoryName,
					  const CifString itemName) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureDimension(categoryName, itemName);
}
inline int CifFile::GetItemStructureOrganization(const int dataBlockIndex, 
				 const int categoryIndex,
				 const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureOrganization(categoryIndex, itemIndex);
}
inline int CifFile::GetItemStructureOrganization(const int dataBlockIndex, 
					  const CifString categoryName,
					  const CifString itemName) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemStructureOrganization(categoryName, itemName);
}
inline int CifFile::GetItemCaseSensitivity(const int dataBlockIndex, 
					  const int categoryIndex,
					  const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemCaseSensitivity(categoryIndex, itemIndex);
}
inline int CifFile::GetItemCaseSensitivity(const int dataBlockIndex, 
					  const CifString categoryName,
					  const CifString itemName) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  CIF_DATABLOCK_NOT_EXIST ;
  else return _dataBlocks[dataBlockIndex].GetItemCaseSensitivity(categoryName, itemName);
}
inline CifItemValue*CifFile::GetItemDefaultValue(const int dataBlockIndex, 
					       const int categoryIndex,
					       const int itemIndex) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  NULL;
  else return _dataBlocks[dataBlockIndex].GetItemDefaultValue(categoryIndex, itemIndex);

}
inline CifItemValue*CifFile::GetItemDefaultValue(const int dataBlockIndex, 
					       const CifString category,
					       const CifString item) 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  NULL;
  else return _dataBlocks[dataBlockIndex].GetItemDefaultValue(category, item);
}

inline ReVarCifArray <CifCategoryIndex> *CifFile::
  GetLinkParents(const int dataBlockIndex, const int categoryIndex, 
			 const int itemIndex)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifCategoryIndex> *)  NULL;
  else return _dataBlocks[dataBlockIndex].GetLinkParents(categoryIndex, itemIndex);

}
inline ReVarCifArray <CifCategoryIndex> *CifFile::
  GetLinkParents(const int dataBlockIndex, const CifString categoryName, 
			const CifString item_label)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (ReVarCifArray <CifCategoryIndex> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetLinkParents(categoryName, item_label);
}
inline ReVarCifArray <CifCategoryIndex> *CifFile::
GetLinkChildren(const int dataBlockIndex, const int categoryIndex, 
		const int itemIndex)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (ReVarCifArray <CifCategoryIndex> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetLinkChildren(categoryIndex, itemIndex);

}
inline ReVarCifArray <CifCategoryIndex> *CifFile::
  GetLinkChildren(const int dataBlockIndex, const CifString categoryName, 
			const CifString item_label)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (ReVarCifArray <CifCategoryIndex> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetLinkChildren(categoryName, item_label);
}
inline ReVarCifArray <CifCategoryIndex> *CifFile::
  GetDependentItems(const int dataBlockIndex, const int categoryIndex, 
		    const int itemIndex)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifCategoryIndex> *)  NULL;
  else return _dataBlocks[dataBlockIndex].GetDependentItems(categoryIndex, itemIndex);
  
}
inline ReVarCifArray <CifCategoryIndex> *CifFile::
GetDependentItems(const int dataBlockIndex, const CifString categoryName, 
		  const CifString item_label)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (ReVarCifArray <CifCategoryIndex> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetDependentItems(categoryName, item_label);
}
inline ReVarCifArray <CifRelatedItem> *CifFile::
  GetRelatedItems(const int dataBlockIndex, const int categoryIndex, 
		  const int itemIndex)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (ReVarCifArray <CifRelatedItem> *)  NULL;
  else return _dataBlocks[dataBlockIndex].GetRelatedItems(categoryIndex, itemIndex);
  
}
inline ReVarCifArray <CifRelatedItem> *CifFile::
  GetRelatedItems(const int dataBlockIndex, const CifString categoryName, 
		  const CifString item_label)
// ----------------------------------------------------------------------
//   GetIndex() Finds the index of the keyword in items array, 
//              -1 if not found
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (ReVarCifArray <CifRelatedItem> *) NULL;
  else return _dataBlocks[dataBlockIndex].GetRelatedItems(categoryName, item_label);
}
inline CifString *CifFile::GetDataBlockName(const int dataBlockIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetDataBlockName();
}
inline int CifFile::GetDataBlockDictionaryIndex(const int dataBlockIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  -1;
  else return _dataBlocks[dataBlockIndex].GetDataBlockDictionaryIndex();
}

inline CifString *CifFile::GetDataBlockFileName(const int dataBlockIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetFileName();
}

inline long CifFile::GetDataBlockFileOffset(const int dataBlockIndex)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  -1;
  else return _dataBlocks[dataBlockIndex].GetFileOffset();
}

inline long CifFile::GetItemFileOffset(const int dataBlockIndex,
				    const char *category)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  -1;
  else return _dataBlocks[dataBlockIndex].GetItemFileOffset(category);
}

inline long CifFile::GetItemFileOffset(const int dataBlockIndex,
				    const CifString category)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  -1;
  else return _dataBlocks[dataBlockIndex].GetItemFileOffset(category);
}
/*
inline CifString *CifFile::GetAliasName(const int dataBlockIndex, const int index)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString *) NULL;
  else return _dataBlocks[dataBlockIndex].GetAliasName(index);
}
inline CifString *CifFile::GetAliasItemKeyword(const int dataBlockIndex, const int index)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return (CifString *)  NULL;
  else return _dataBlocks[dataBlockIndex].GetAliasItemKeyword(index);
}
inline CifString *CifFile::GetAliasCategoryName(const int dataBlockIndex, const int index)
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return  (CifString  *) NULL;
  else return _dataBlocks[dataBlockIndex].GetAliasCategoryName(index);
}
*/
inline int CifFile::GetItemValue(CifItemValue **itemValue, const int dataBlockIndex,
			      const int categoryIndex, const int itemIndex, 
			      const int row_index)
// ----------------------------------------------------------------------
//   GetItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else return _dataBlocks[dataBlockIndex].GetItemValue(itemValue, categoryIndex,
					     itemIndex, row_index);
}

inline int CifFile::GetItemValue(CifString **itemValue, const int dataBlockIndex, 
			      const int categoryIndex, const int itemIndex, 
			      const int row_index)
// ----------------------------------------------------------------------
//   GetItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else return _dataBlocks[dataBlockIndex].GetItemValue(itemValue, categoryIndex,
					     itemIndex, row_index);
}

inline int CifFile::GetItemValue(CifItemValue **itemValue, const int dataBlockIndex,
			      const CifString categoryName, const CifString item_label, 
			      const int row_index)
// ----------------------------------------------------------------------
//   GetItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else return _dataBlocks[dataBlockIndex].GetItemValue(itemValue, categoryName,
					     item_label, row_index);
}

inline int CifFile::GetItemValue(CifString **itemValue, const int dataBlockIndex, 
			      const CifString categoryName, const CifString item_label, 
			      const int row_index)
// ----------------------------------------------------------------------
//   GetItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else 
    return _dataBlocks[dataBlockIndex].GetItemValue(itemValue, categoryName,
						item_label, row_index);
}

inline int CifFile::UpdateItemValue(CifItemValue *itemValue, const int dataBlockIndex,
			  const int categoryIndex, const int itemIndex, 
			  const int row_index, const int verifyFlag)
// ----------------------------------------------------------------------
//   UpdateItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else 
    return 
      _dataBlocks[dataBlockIndex].
	UpdateItemValue(&_dataBlocks[_dataBlocks[dataBlockIndex]._dictionaryIndex],
		    itemValue, categoryIndex,itemIndex, row_index, verifyFlag);
}

inline int CifFile::UpdateItemValue(CifItemValue *itemValue, const int dataBlockIndex,
			  const CifString categoryName, const CifString item_label, 
			  const int row_index, const int verifyFlag)
// ----------------------------------------------------------------------
//   UpdateItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else
    return 
      _dataBlocks[dataBlockIndex].
	UpdateItemValue(&_dataBlocks[_dataBlocks[dataBlockIndex]._dictionaryIndex],
		    itemValue, categoryName, item_label, row_index, verifyFlag);
}

inline int CifFile::InsertItemValue(CifItemValue *itemValue, const int dataBlockIndex,
			  const CifString categoryName, const CifString item_label, 
			  const int row_index, const int verifyFlag)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else return _dataBlocks[dataBlockIndex].
    InsertItemValue(&_dataBlocks[_dataBlocks[dataBlockIndex]._dictionaryIndex],
		itemValue, categoryName, item_label, row_index, verifyFlag);
}

inline int CifFile::InsertItemValue(CifItemValue *itemValue, const int dataBlockIndex,
			  const int categoryIndex, const int itemIndex, 
			  const int row_index, const int verifyFlag)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else
    return _dataBlocks[dataBlockIndex].
      InsertItemValue(&_dataBlocks[_dataBlocks[dataBlockIndex]._dictionaryIndex],
		  itemValue, categoryIndex, itemIndex, row_index, verifyFlag);
}

inline int CifFile::DeleteItemValue(const int dataBlockIndex,
				 const int categoryIndex, const int itemIndex, 
				 const int row_index, const int verifyFlag)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else return _dataBlocks[dataBlockIndex].DeleteItemValue(categoryIndex,
						      itemIndex, row_index,
						      verifyFlag);
}

inline int CifFile::DeleteItemValue(const int dataBlockIndex,
				 const CifString categoryName, const CifString item_label, 
				 const int row_index, const int verifyFlag)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex < 0 || dataBlockIndex >= _dataBlocks.Length())
    return CIF_DATABLOCK_NOT_EXIST;
  else return _dataBlocks[dataBlockIndex].DeleteItemValue(categoryName, item_label, 
						      row_index, verifyFlag);
}

inline void CifFile::PrintDataBlock(const int dataBlockIndex)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].Print();
						 
}
inline void CifFile::PrintDataBlockDetails(const int dataBlockIndex)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].PrintDetails();
						 
}
inline void CifFile::PrintDataBlockTable(const int dataBlockIndex)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].PrintTable();
						 
}
inline void CifFile::ErrorMessage(const int dataBlockIndex,
				      const int errorFlag, const char *message)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].ErrorMessage(errorFlag, -1, message);
						 
}
inline void CifFile::ErrorMessage(const int dataBlockIndex,
				      const int errorFlag, const CifString message)
// ----------------------------------------------------------------------
//   InsertItemValue() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].ErrorMessage(errorFlag, -1, message);
						 
}
inline CifDataBlock *CifFile::AddDatablock(const int dictionaryIndex,
					     const CifString dataBlockName)

// ----------------------------------------------------------------------
//   AddDatabLock() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  return AddDatablock(dictionaryIndex, dataBlockName.Text());
						 
}

inline CifCategory *CifFile::AddCategory(const int dataBlockIndex,
						 const CifString categoryName)
// ----------------------------------------------------------------------
//   AddCategory() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  return AddCategory(dataBlockIndex, categoryName.Text());
}

inline CifDataItem *CifFile::AddDataItem(const int dataBlockIndex,
					    const int categoryIndex, 
					    const CifString itemName)
// ----------------------------------------------------------------------
//   AddDataItem() Gets itemValue from itemValues array
// --------------------------------------------------------------------- 
{
  return AddDataItem(dataBlockIndex, categoryIndex, itemName.Text());
}

inline int CifFile::CountDataBlockWarnings(const int dataBlockIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    return _dataBlocks[dataBlockIndex].CountWarnings();
  else return 0;
}
inline int CifFile::CountDataBlockErrors(const int dataBlockIndex) 
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    return _dataBlocks[dataBlockIndex].CountErrors() ;
  else return 0;
}
inline ReVarCifArray <CifString> *CifFile::GetDataBlockErrors(const int dataBlockIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    return _dataBlocks[dataBlockIndex].GetErrors();
  else return NULL;
}
inline ReVarCifArray <CifString> *CifFile::GetDataBlockWarnings(const int dataBlockIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    return _dataBlocks[dataBlockIndex].GetWarnings();
  else return NULL;
}
inline void CifFile::FreeDataBlockWarnings(const int dataBlockIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].FreeWarnings();
}
inline void CifFile::FreeDataBlockErrors(const int dataBlockIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].FreeErrors();
}
inline CifString *CifFile::GetDataBlockWarning(const int dataBlockIndex, const int warningIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
     return _dataBlocks[dataBlockIndex].GetWarning(warningIndex);
  else return NULL;
}
inline CifString *CifFile::GetDataBlockError(const int dataBlockIndex, const int errorIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    return _dataBlocks[dataBlockIndex].GetError(errorIndex);
  else return NULL;
}
inline void CifFile::FreeDataBlockWarning(const int dataBlockIndex, const int warningIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].FreeWarning(warningIndex);
}
inline void CifFile::FreeDataBlockError(const int dataBlockIndex, const int errorIndex)
{
  if (dataBlockIndex >= 0 && dataBlockIndex < _dataBlocks.Length())
    _dataBlocks[dataBlockIndex].FreeError(errorIndex);
}
  
#endif