CifFile Class Reference

Public class that represents a CIF file, composed of blocks with tables. More...

#include <CifFile.h>

Inherited by DdlFile.

Inheritance diagram for CifFile:

[legend]List of all members.

Public Types
enum	eQuoting { eSINGLE = 0, eDOUBLE }
Public Member Functions
	CifFile (const eFileMode fileMode, const string &fileName, const bool verbose=false, const StringCompare::eCompareType caseSense=StringCompare::eCASE_SENSITIVE, const unsigned int maxLineLength=STD_CIF_LINE_LENGTH, const string &nullValue=CifString::NullValue)
	CifFile (const bool verbose=false, const StringCompare::eCompareType caseSense=StringCompare::eCASE_SENSITIVE, const unsigned int maxLineLength=STD_CIF_LINE_LENGTH, const string &nullValue=CifString::NullValue)
	~CifFile ()
bool	GetVerbose ()
void	SetSmartPrint (bool smartPrint=true)
bool	IsSmartPrint ()
void	SetQuoting (eQuoting quoting)
unsigned int	GetQuoting ()
void	Write (const string &cifFileName, const bool sortTables=false, const bool writeEmptyTables=false)
void	Write (const string &cifFileName, const vector< string > &tableOrder, const bool writeEmptyTables=false)
void	Write (ostream &outStream, const bool sortTables=false, const bool writeEmptyTables=false)
int	DataChecking (CifFile &dicRef)
int	DataChecking (Block &block, Block &refBlock, ostringstream &buf)
void	GetAttributeValue (string &attribVal, const string &blockId, const string &category, const string &attribute)
void	GetAttributeValueIf (string &attribVal, const string &blockId, const string &category, const string &attributeA, const string &attributeB, const string &valB)
bool	IsAttributeValueDefined (const string &blockId, const string &category, const string &attribute)
void	SetAttributeValue (const string &blockId, const string &category, const string &attribute, const string &value, const bool create=false)
void	SetAttributeValueIf (const string &blockId, const string &category, const string &attributeA, const string &valA, const string &attributeB, const string &valB, const bool create=false)
void	SetAttributeValueIfNull (const string &blockId, const string &category, const string &attribute, const string &value)
void	GetAttributeValues (vector< string > &strings, const string &blockId, const string &category, const string &attribute)
void	GetAttributeValuesIf (vector< string > &strings, const string &blockId, const string &category, const string &attributeA, const string &attributeB, const string &valB)
void	SetAttributeValues (const string &blockId, const string &category, const string &attribute, const vector< string > &values)
int	CheckCategories (Block &block, Block &refBlock, ostringstream &log)
void	CheckCategoryKey (Block &block, ostringstream &log)
int	CheckItems (Block &block, Block &refBlock, ostringstream &log)
Static Public Member Functions
static void	GetItemNames (vector< string > &itemNames, ISTable &isTable)
Static Public Attributes
static const unsigned int	STD_CIF_LINE_LENGTH = 80
Protected Types
enum	eIdentType { eNONE = 0, eLEFT, eRIGHT }
Protected Member Functions
int	_IsQuotableText (const string &itemValue)
eIdentType	_FindPrintType (const vector< string > &values)
void	_PrintItemIdent (ostream &cifo, unsigned int &linePos)
void	_PrintItemName (ostream &cifo, const string &category, const string &itemName, unsigned int &linePos)
void	_PrintPostItemSeparator (ostream &cifo, unsigned int &linePos, const bool ident=false, const unsigned int numSpaces=1)
int	_PrintItemValue (ostream &cifo, const string &itemValue, unsigned int &linePos, const eIdentType identType=eNONE, const unsigned int width=0)
int	_PrintItemNameInHeader (ostream &cifo, const string &itemValue, unsigned int &linePos, const eIdentType identType=eNONE, const unsigned int width=0)
void	_PrintHeaderedItems (ostream &cifo, const vector< string > &colNames, const vector< unsigned int > &colWidths, const vector< eIdentType > colPrintType)
void	Write (ostream &cifo, const vector< string > &catOrder, const bool writeEmptyTables=false)
void	Write (ostream &cifo, vector< unsigned int > &tables, const bool writeEmptyTables=false)
Protected Attributes
unsigned int	_maxCifLineLength
string	_nullValue
bool	_verbose
bool	_smartPrint
string	_quotes
Static Protected Attributes
static const unsigned int	STD_PRINT_SPACING = 3
static const unsigned int	SMART_PRINT_SPACING = 1
static const unsigned int	HEADER_SPACING = 40
Private Member Functions
void	Init ()
bool	IsCatDefinedInRef (const string &catName, ISTable &catTable)
bool	IsItemDefinedInRef (const string &catName, const string &itemName, ISTable &refItemTable)
void	CheckKeyItems (const string &blockName, ISTable &catTable, ISTable &keyTable, ostringstream &log)
void	CheckMandatoryItems (const string &blockName, ISTable &catTable, ISTable &refItemTable, ostringstream &log)
void	CheckAndRectifyItemTypeCode (Block &block, ostringstream &log)
int	CheckParentChild (Block &block, ISTable &catTable, const vector< string > &cifItemNames, ISTable &parChildTable, ostringstream &log)
int	CheckRegExpRangeEnum (Block &block, ISTable &catTable, const string &cifItemName, ISTable &itemTypeTable, ISTable &itemTypeListTable, ISTable &itemRangeTable, ISTable &itemEnumTable, ISTable &parChildTable, ostringstream &log)
int	CheckCellRange (const string &cell, const string &typeCode, const vector< string > &minlist, const vector< string > &maxlist)
int	CheckCellEnum (const string &cell, const string &typeCode, const string &primCode, const vector< string > &enumlist)
int	CheckCellFloatRange (const string &cell, const vector< string > &minlist, const vector< string > &maxlist)
int	CheckCellIntRange (const string &cell, const vector< string > &minlist, const vector< string > &maxlist)
int	CheckCellFloatEnum (const string &cell, const vector< string > &enumlist)
int	CheckCellIntEnum (const string &cell, const vector< string > &enumlist)
int	CheckCellOtherEnum (const string &cell, const string &primCode, const vector< string > &enumlist)
ISTable *	CreateKeysTable (const vector< string > &cifItemNames, ISTable &parChildTable, map< string, unsigned int > &maxKeyGroups)
void	GetComboKeys (const string &parCatName, const unsigned int maxKeyGroup, ISTable &keysTable, vector< vector< string > > &comboKeys, vector< string > &parKeys)
void	GetItemTypeCode (string &typeCode, const string &cifItemName, ISTable &itemTypeTable)
void	ConvertEscapedString (const string &inString, string &outString)

---

Detailed Description

Public class that represents a CIF file, composed of blocks with tables.

This class represents a CIF file. In addition to inherited methods from TableFile class, this class provides methods for writing the data to a text file, along with methods for controlling how the data is written, and a method for verifying the CIF file against dictionary.

---

Member Enumeration Documentation

enum CifFile::eQuoting

Enumerator:

eSINGLE
eDOUBLE

enum CifFile::eIdentType [protected]

Enumerator:

eNONE
eLEFT
eRIGHT

---

Constructor & Destructor Documentation

CifFile::CifFile	(	const eFileMode	fileMode,
		const string &	fileName,
		const bool	verbose = false,
		const StringCompare::eCompareType	caseSense = StringCompare::eCASE_SENSITIVE,
		const unsigned int	maxLineLength = STD_CIF_LINE_LENGTH,
		const string &	nullValue = CifString::NullValue
	)

Constructs a CIF file.

Parameters:

[in]	fileMode	- CIF file mode. Possible values are read-only, create, update and virtual. Detailed description of file mode is given in TableFile documentation.
[in]	fileName	- relative or absolute name of the file where object persistency is maintained. If fileMode specifies virtual mode, this parameter is ignored.
[in]	verbose	- optional parameter that indicates whether logging should be turned on (if true) or off (if false). If verbose is not specified, logging is turned off.
[in]	caseSense	- optional parameter that indicates case sensitivity of table names. Possible values are case sensitive and case in-sensitive. If not specified, case sensitive table names are assumed.
[in]	maxLineLength	- optional parameter that indicates the maximum number of written characters in one line in the written text file. If not specified, STD_CIF_LINE_LENGTH is used.
[in]	nullValue	- optional parameter that indicates the character that is to be used to denote unknown value in the written CIF file. If not specified, CifString::NullValue is used.

Returns:

Not applicable

Precondition:

None

Postcondition:

None

Exceptions:

None

CifFile::CifFile	(	const bool	verbose = false,
		const StringCompare::eCompareType	caseSense = StringCompare::eCASE_SENSITIVE,
		const unsigned int	maxLineLength = STD_CIF_LINE_LENGTH,
		const string &	nullValue = CifString::NullValue
	)

Constructs a CIF file in virtual mode.

Parameters:

[in]	verbose	- optional parameter that indicates whether logging should be turned on (if true) or off (if false). If verbose is not specified, logging is turned off.
[in]	caseSense	- optional parameter that indicates case sensitivity of table names. Possible values are case sensitive and case in-sensitive. If not specified, case sensitive table names are assumed.
[in]	maxLineLength	- optional parameter that indicates the maximum number of written characters in one line in the written text file. If not specified, STD_CIF_LINE_LENGTH is used.
[in]	nullValue	- optional parameter that indicates the character that is to be used to denote unknown value in the written CIF file. If not specified, CifString::NullValue is used.

Returns:

Not applicable

Precondition:

None

Postcondition:

None

Exceptions:

None

CifFile::~CifFile

(

)

Destructs a CIF file, by releasing all consumed resources.

Parameters:

Not applicable

Returns:

Not applicable

Precondition:

None

Postcondition:

None

Exceptions:

None

---

Member Function Documentation

bool CifFile::GetVerbose

(

)

[inline]

Retrieves logging option.

Parameters:

None

Returns:

true - if logging is turned on

false - if logging is turned off

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::SetSmartPrint

(

bool

smartPrint = true

)

[inline]

Sets smart printing option. Smart printing is used to beautify the output of a written text file.

Parameters:

smartPrint

- smart printing. If false, smart printing is disabled. If true, smart printing is enabled. If not specified, smart printing is enabled.

Returns:

None

Precondition:

None

Postcondition:

None

Exceptions:

None

bool CifFile::IsSmartPrint

(

)

[inline]

Retrieves smart printing option.

Parameters:

None

Returns:

true - if smart printing is enabled

false - if smart printing is disabled

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::SetQuoting

(

eQuoting

quoting

)

Sets quoting option. This option is used in order to select the type of quoting to be used in the written text file.

Parameters:

quoting

- type of quoting. If eSINGLE, single quotes are used. If eDOUBLE, double quotes are used.

Returns:

None

Precondition:

None

Postcondition:

None

Exceptions:

None

unsigned int CifFile::GetQuoting

(

)

Retrieves quoting option.

Parameters:

None

Returns:

eSINGLE - if single quotes are used

eDOUBLE - if double quotes are used

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::Write	(	const string &	cifFileName,
		const bool	sortTables = false,
		const bool	writeEmptyTables = false
	)

Writes the data out to a text file.

Parameters:

[in]	cifFileName	- relative or absolute name of the text file to which the data from CifFile object is to be written to.
[in]	sortTables	- optional parameter that indicates whether written tables should be sorted (if true) or not sorted (if false). If sortTables is not specified, tables are not sorted prior to writing them.
[in]	writeEmptyTables	- optional parameter that indicates whether empty tables (0 rows) are to be written (if true) or not written (if false). If writeEmptyTables is not specified, empty tables are not written.

Returns:

None

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::Write	(	const string &	cifFileName,
		const vector< string > &	tableOrder,
		const bool	writeEmptyTables = false
	)

Writes the data out to a text file.

Parameters:

[in]	cifFileName	- relative or absolute name of the text file to which the data from CifFile object is to be written to.
[in]	tableOrder	- vector of table names that indicates the order of written tables.
[in]	writeEmptyTables	- optional parameter that indicates whether empty tables (0 rows) are to be written (if true) or not written (if false). If writeEmptyTables is not specified, empty tables are not written.

Returns:

None

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::Write	(	ostream &	outStream,
		const bool	sortTables = false,
		const bool	writeEmptyTables = false
	)

Writes the data out to an output stream.

Parameters:

[in]	outStream	- a reference to the output stream
[in]	sortTables	- optional parameter that indicates whether written tables should be sorted (if true) or not sorted (if false). If sortTables is not specified, tables are not sorted prior to writing them.
[in]	writeEmptyTables	- optional parameter that indicates whether empty tables (0 rows) are to be written (if true) or not written (if false). If writeEmptyTables is not specified, empty tables are not written.

Returns:

None

Precondition:

None

Postcondition:

None

Exceptions:

None

int CifFile::DataChecking

(

CifFile &

dicRef

)

Checks a CIF file (all blocks in it) against the dictionary.

Parameters:

[in]

dicRef

- reference to a dictionary file. The check is done against the first block in the dictionary file.

Returns:

0 - if all checks passed

different than 0 - if checks failed

Precondition:

None

Postcondition:

None

Exceptions:

None

int CifFile::DataChecking	(	Block &	block,
		Block &	refBlock,
		ostringstream &	buf
	)

Checks a block of CIF file against the specified reference block.

Parameters:

[in]	block	- reference to a block that is to be checked
[in]	refBlock	- reference to a reference block against which block is to be checked
[out]	diagBuf	- diagnostics buffer that holds checking results

Returns:

0 - if all checks passed

different than 0 - if checks failed

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::GetItemNames	(	vector< string > &	itemNames,
		ISTable &	isTable
	)			[static]

Constructs CIF item names in the form "_<category>.<item>", by using the table name for the category name and each column name for the item name.

Parameters:

[out]	itemNames	- constructed CIF item names. The number of CIF items is equal to the number of table columns.
[in]	isTable	- table reference

Returns:

None

Precondition:

None

Postcondition:

None

Exceptions:

None

void CifFile::GetAttributeValue	(	string &	attribVal,
		const string &	blockId,
		const string &	category,
		const string &	attribute
	)

void CifFile::GetAttributeValueIf	(	string &	attribVal,
		const string &	blockId,
		const string &	category,
		const string &	attributeA,
		const string &	attributeB,
		const string &	valB
	)

bool CifFile::IsAttributeValueDefined	(	const string &	blockId,
		const string &	category,
		const string &	attribute
	)

void CifFile::SetAttributeValue	(	const string &	blockId,
		const string &	category,
		const string &	attribute,
		const string &	value,
		const bool	create = false
	)

void CifFile::SetAttributeValueIf	(	const string &	blockId,
		const string &	category,
		const string &	attributeA,
		const string &	valA,
		const string &	attributeB,
		const string &	valB,
		const bool	create = false
	)

void CifFile::SetAttributeValueIfNull	(	const string &	blockId,
		const string &	category,
		const string &	attribute,
		const string &	value
	)

void CifFile::GetAttributeValues	(	vector< string > &	strings,
		const string &	blockId,
		const string &	category,
		const string &	attribute
	)

void CifFile::GetAttributeValuesIf	(	vector< string > &	strings,
		const string &	blockId,
		const string &	category,
		const string &	attributeA,
		const string &	attributeB,
		const string &	valB
	)

void CifFile::SetAttributeValues	(	const string &	blockId,
		const string &	category,
		const string &	attribute,
		const vector< string > &	values
	)

int CifFile::CheckCategories	(	Block &	block,
		Block &	refBlock,
		ostringstream &	log
	)

void CifFile::CheckCategoryKey	(	Block &	block,
		ostringstream &	log
	)

int CifFile::CheckItems	(	Block &	block,
		Block &	refBlock,
		ostringstream &	log
	)

int CifFile::_IsQuotableText

(

const string &

itemValue

)

[protected]

CifFile::eIdentType CifFile::_FindPrintType

(

const vector< string > &

values

)

[protected]

void CifFile::_PrintItemIdent	(	ostream &	cifo,
		unsigned int &	linePos
	)			[protected]

void CifFile::_PrintItemName	(	ostream &	cifo,
		const string &	category,
		const string &	itemName,
		unsigned int &	linePos
	)			[protected]

void CifFile::_PrintPostItemSeparator	(	ostream &	cifo,
		unsigned int &	linePos,
		const bool	ident = false,
		const unsigned int	numSpaces = 1
	)			[protected]

int CifFile::_PrintItemValue	(	ostream &	cifo,
		const string &	itemValue,
		unsigned int &	linePos,
		const eIdentType	identType = eNONE,
		const unsigned int	width = 0
	)			[protected]

int CifFile::_PrintItemNameInHeader	(	ostream &	cifo,
		const string &	itemValue,
		unsigned int &	linePos,
		const eIdentType	identType = eNONE,
		const unsigned int	width = 0
	)			[protected]

void CifFile::_PrintHeaderedItems	(	ostream &	cifo,
		const vector< string > &	colNames,
		const vector< unsigned int > &	colWidths,
		const vector< eIdentType >	colPrintType
	)			[protected]

void CifFile::Write	(	ostream &	cifo,
		const vector< string > &	catOrder,
		const bool	writeEmptyTables = false
	)			[protected]

void CifFile::Write	(	ostream &	cifo,
		vector< unsigned int > &	tables,
		const bool	writeEmptyTables = false
	)			[protected]

void CifFile::Init

(

)

[private]

bool CifFile::IsCatDefinedInRef	(	const string &	catName,
		ISTable &	catTable
	)			[private]

bool CifFile::IsItemDefinedInRef	(	const string &	catName,
		const string &	itemName,
		ISTable &	refItemTable
	)			[private]

void CifFile::CheckKeyItems	(	const string &	blockName,
		ISTable &	catTable,
		ISTable &	keyTable,
		ostringstream &	log
	)			[private]

void CifFile::CheckMandatoryItems	(	const string &	blockName,
		ISTable &	catTable,
		ISTable &	refItemTable,
		ostringstream &	log
	)			[private]

void CifFile::CheckAndRectifyItemTypeCode	(	Block &	block,
		ostringstream &	log
	)			[private]

int CifFile::CheckParentChild	(	Block &	block,
		ISTable &	catTable,
		const vector< string > &	cifItemNames,
		ISTable &	parChildTable,
		ostringstream &	log
	)			[private]

int CifFile::CheckRegExpRangeEnum	(	Block &	block,
		ISTable &	catTable,
		const string &	cifItemName,
		ISTable &	itemTypeTable,
		ISTable &	itemTypeListTable,
		ISTable &	itemRangeTable,
		ISTable &	itemEnumTable,
		ISTable &	parChildTable,
		ostringstream &	log
	)			[private]

int CifFile::CheckCellRange	(	const string &	cell,
		const string &	typeCode,
		const vector< string > &	minlist,
		const vector< string > &	maxlist
	)			[private]

int CifFile::CheckCellEnum	(	const string &	cell,
		const string &	typeCode,
		const string &	primCode,
		const vector< string > &	enumlist
	)			[private]

int CifFile::CheckCellFloatRange	(	const string &	cell,
		const vector< string > &	minlist,
		const vector< string > &	maxlist
	)			[private]

int CifFile::CheckCellIntRange	(	const string &	cell,
		const vector< string > &	minlist,
		const vector< string > &	maxlist
	)			[private]

int CifFile::CheckCellFloatEnum	(	const string &	cell,
		const vector< string > &	enumlist
	)			[private]

int CifFile::CheckCellIntEnum	(	const string &	cell,
		const vector< string > &	enumlist
	)			[private]

int CifFile::CheckCellOtherEnum	(	const string &	cell,
		const string &	primCode,
		const vector< string > &	enumlist
	)			[private]

ISTable * CifFile::CreateKeysTable	(	const vector< string > &	cifItemNames,
		ISTable &	parChildTable,
		map< string, unsigned int > &	maxKeyGroups
	)			[private]

void CifFile::GetComboKeys	(	const string &	parCatName,
		const unsigned int	maxKeyGroup,
		ISTable &	keysTable,
		vector< vector< string > > &	comboKeys,
		vector< string > &	parKeys
	)			[private]

void CifFile::GetItemTypeCode	(	string &	typeCode,
		const string &	cifItemName,
		ISTable &	itemTypeTable
	)			[private]

void CifFile::ConvertEscapedString	(	const string &	inString,
		string &	outString
	)			[private]

---

Member Data Documentation

const unsigned int CifFile::STD_CIF_LINE_LENGTH = 80 [static]

const unsigned int CifFile::STD_PRINT_SPACING = 3 [static, protected]

const unsigned int CifFile::SMART_PRINT_SPACING = 1 [static, protected]

const unsigned int CifFile::HEADER_SPACING = 40 [static, protected]

unsigned int CifFile::_maxCifLineLength [protected]

string CifFile::_nullValue [protected]

bool CifFile::_verbose [protected]

bool CifFile::_smartPrint [protected]

string CifFile::_quotes [protected]

---

The documentation for this class was generated from the following files:

• CifFile.h
• CifFile.C

---