CAltSpaceGroup

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CSpaceGroup -> CCP4XtalData.CAltSpaceGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	NotImplemented
toolTip	str	Hermann-Mauguin space group name
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	crystal_data#space_group
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CAltSpaceGroupList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CAltSpaceGroupList

Contents of class:

List of CAltSpaceGroup

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CAnomalousColumnGroup: Selection of F/I and AnomF/I columns from MTZ. Expected to be part of ab initio phasing dataset ( CDataset)

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CAnomalousColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	['The real part of the experimental structure factors', 'The anomalous part of the experimental structure factors']	Tooltips for columns in group

CAnomalousIntensityColumnGroup: Selection of I and AnomI columns from MTZ. Expected to be part of ab initio phasing dataset ( CDataset)

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CAnomalousIntensityColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Intensity and anomalous intensity
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	['The real part of the experimental intensity', 'The anomalous part of the experimental intensity']	Tooltips for columns in group

CAnomalousScatteringElement: Definition of a anomalous scattering element

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4Data.COneWord -> CCP4ModelData.CElement -> CCP4XtalData.CAnomalousScatteringElement

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	Se
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	4
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	['Br', 'Fe', 'Pt', 'Se']	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CAsuComponent: A component of the asymmetric unit. This is for use in MR, defining what we are searching for. There are similarities to CCrystalComponents and it should maybe be merged.

CCP4Data.CData -> CCP4XtalData.CAsuComponent

Contents of class:

moleculeType	CString
numberOfCopies	CInt
seqFile	CSeqDataFile

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CAsuComponentList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CAsuComponentList

Contents of class:

List of CAsuComponent

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	Contents of asymmetric unit
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	1	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CAtomicFormFactors: Table of form factors for element v wavelength

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CTable -> CCP4XtalData.CAtomicFormFactors

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	Atomic form factors for given element and wavelength
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
allowUndefinedHeader	bool	False
uniqueHeader	bool	True
rowLabel	str	atomic element
columnLabel	str	wavelength

CCell: A unit cell

CCP4Data.CData -> CCP4XtalData.CCell

Contents of class:

a	CCellLength
c	CCellLength
b	CCellLength
beta	CCellAngle
alpha	CCellAngle
gamma	CCellAngle

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	Cell lengths and angles
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	crystal_data#cell
saveToDb	bool	False	Save this data in the database

CCellAngle: A cell angle

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CFloat -> CCP4XtalData.CCellAngle

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	float	None
toolTip	str	Cell angle in degrees
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	10
min	float	0.0	The inclusive minimum value
max	float	180.0	The inclusive maximum value
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A Python list of allowed or recommended values - see onlyEnumerators
menuText	list	[]	A Python list of strings, matching items in enumerators list, to appear on GUI menu

CCellLength: A cell length

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CFloat -> CCP4XtalData.CCellLength

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	False
default	float	None
toolTip	str	Cell length in A
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	10
min	float	0.0	The inclusive minimum value
max	float	None	The inclusive maximum value
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A Python list of allowed or recommended values - see onlyEnumerators
menuText	list	[]	A Python list of strings, matching items in enumerators list, to appear on GUI menu

CColumnGroup: Groups of columns in MTZ - probably from analysis by hklfile

CCP4Data.CData -> CCP4XtalData.CColumnGroup

Contents of class:

columnGroupType	COneWord
columnList	CList
selected	CBoolean
contentFlag	CInt
dataset	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CColumnGroupItem: Definition of set of columns that form a 'group'

CCP4Data.CData -> CCP4XtalData.CColumnGroupItem

Contents of class:

defaultList	CString
columnName	COneWord
partnerTo	COneWord
columnType	CColumnTypeList
partnerOffset	CInt

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CColumnGroupList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CColumnGroupList

Contents of class:

List of CColumnGroup

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CColumnType: A list of recognised MTZ column types

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CColumnType

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	F
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	True	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	['H', 'J', 'F', 'D', 'Q', 'G', 'L', 'K', 'M', 'E', 'P', 'W', 'A', 'B', 'Y', 'I', 'R']	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CColumnTypeList: A list of acceptable MTZ column types

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CColumnTypeList

Contents of class:

List of CColumnType

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CCrystalComponents: A list of sequences, monomers and anomalous scatterers expected in a crystal

CCP4Data.CData -> CCP4XtalData.CCrystalComponents

Contents of class:

monomers	CList
phasingGroup	CList
sequences	CList

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CCrystalCompositionLabel: Serves as column header for CCrystalComposition - is a name for a composition model The composition model can be for one of three units

CCP4Data.CData -> CCP4XtalData.CCrystalCompositionLabel

Contents of class:

identifier	CString
unit	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CCrystalCompositionTable: A table of crystal components v. composition models

CCP4Data.CData -> CCP4Data.CCollection -> CCP4XtalData.CCrystalCompositionTable

Contents of class:

This is a simple class without contents

CCrystalName

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CCrystalName

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	False
default	str	NotImplemented
toolTip	str	Unique identifier for crystal (one word)
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	1	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CDataset: The experimental data model for ab initio phasing

CCP4Data.CData -> CCP4XtalData.CDataset

Contents of class:

datasetName	CDatasetName
formFactorSource	CString
crystalName	CCrystalName
selected	CBoolean
obsDataFile	CObsDataFile
formFactors	CFormFactor

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CDatasetList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CDatasetList

Contents of class:

List of CDataset

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CDatasetName

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CDatasetName

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	False
default	str	NotImplemented
toolTip	str	Unique identifier for dataset (one word)
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	1	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CExperimentalDataType: Experimental data type e.g. native or peak

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CExperimentalDataType

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	SAD
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	True	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	['native', 'derivative', 'SAD', 'peak', 'inflection', 'high_remote', 'low_remote', '']	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CFPairColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CFPairColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Anomalous structure factors and sigma
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CFSigFColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CFSigFColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Structure factor and sigma
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CFormFactor: The for factor (Fp and Fpp) for a giving element and wavelength

CCP4Data.CData -> CCP4XtalData.CFormFactor

Contents of class:

Fp	CFloat
Fpp	CFloat

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CFreeRColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CFreeRColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Set of FreeR flags
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CFreeRDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile -> CCP4XtalData.CMiniMtzDataFile -> CCP4XtalData.CFreeRDataFile

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Set of reflections used for FreeR calculation
guiLabel	str	Free R set
guiDefinition	dict	{}
helpFile	str	data_files#FreeR
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz-freerflag
mimeTypeDescription	str	FreeR flag
fileLabel	str	freeRflag	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMtzData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags
correctColumns	list	['I']	A list of coloumn data types expected in the file
columnGroupClassList	str	[]
sameCrystalAs	str	NotImplemented	Name of CMtzDataFile object that crystal parameters should match - probably the observed data

CGenericReflDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CGenericReflDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	A reflection data file in MTZ or a non-CCP4 format
guiLabel	str	Reflection data
guiDefinition	dict	{}
helpFile	str	import_merged#file_formats
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'hkl', 'HKL', 'sca', 'SCA', 'mmcif', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-generic-reflections
mimeTypeDescription	str
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CUnmergedDataContent	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CHLColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CHLColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Hendrickson-Lattmann coefficients
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CIPairColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CIPairColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Anomalous intensities and sigma
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CISigIColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CISigIColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Intensity and sigma
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CImageFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CImageFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	First image file in a directory
guiLabel	str	Image file
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['img']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-image
mimeTypeDescription	str	Image file
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CImosflmXmlDataFile: An iMosflm data file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CImosflmXmlDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	iMosflm data
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['imosflm.xml']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/iMosflm-xml
mimeTypeDescription	str	iMosflm data
fileLabel	str	imosflm	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CImportUnmerged

CCP4Data.CData -> CCP4XtalData.CImportUnmerged

Contents of class:

crystalName	CString
dataset	CString
cell	CCell
excludeSelection	CRangeSelection
file	CUnmergedDataFile
wavelength	CWavelength

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	Imported data file, cell parameters and crystal/dataset identifiers
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	import_merged#file_formats
saveToDb	bool	False	Save this data in the database

CImportUnmergedList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CImportUnmergedList

Contents of class:

List of CImportUnmerged

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	1	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CMapCoeffsDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile -> CCP4XtalData.CMiniMtzDataFile -> CCP4XtalData.CMapCoeffsDataFile

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Electron density map coefficients: F,Phi
guiLabel	str	Map coefficients
guiDefinition	dict	{}
helpFile	str	data_files#MapCoeffs
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz-map
mimeTypeDescription	str	MTZ F-phi
fileLabel	str	map_coefficients	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMtzData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags
correctColumns	list	['FP', 'FQP']	A list of coloumn data types expected in the file
columnGroupClassList	str	[]
sameCrystalAs	str	NotImplemented	Name of CMtzDataFile object that crystal parameters should match - probably the observed data

CMapColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CMapColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Structure factor and phase to define a map
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CMapDataFile: A CCP4 Map file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMapDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	A map in CCP4 format
guiLabel	str	Electron Density Map
guiDefinition	dict	{}
helpFile	str	data_files#map_files
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['map']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-map
mimeTypeDescription	str	CCP4 Electron density map
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CMergeMiniMtz

CCP4Data.CData -> CCP4XtalData.CMergeMiniMtz

Contents of class:

columnNames	CString
columnTag	CString
fileName	CMiniMtzDataFile

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CMergeMiniMtzList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CMergeMiniMtzList

Contents of class:

List of CMergeMiniMtz

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	True	Save this data in the database
listMinLength	int	2	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CMiniMtzDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile -> CCP4XtalData.CMiniMtzDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Mini-MTZ file containing reflection,phases,FreeR set or map coefficients
guiLabel	str	Experimental data
guiDefinition	dict	{}
helpFile	str	data_files#MTZ
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz-mini
mimeTypeDescription	str	MTZ experimental data
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMtzData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags
correctColumns	list	['FQ', 'JQ', 'GLGL', 'KMKM', 'AAAA', 'PW', 'FP', 'I']	A list of coloumn data types expected in the file
columnGroupClassList	str	NotImplemented
sameCrystalAs	str	NotImplemented	Name of CMtzDataFile object that crystal parameters should match - probably the observed data

CMiniMtzDataFileList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CMiniMtzDataFileList

Contents of class:

List of CMiniMtzDataFile

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CMmcifReflData: Reflection data in mmCIF format

CCP4Data.CData -> CCP4File.CDataFileContent -> CCP4File.CMmcifData -> CCP4XtalData.CMmcifReflData

Contents of class:

cell	CCell
haveIobsColumn	CBoolean
haveFobsColumn	CBoolean
wavelength	CWavelength
spaceGroup	CSpaceGroup
haveFpmObsColumn	CBoolean
haveIpmObsColumn	CBoolean
haveFreeRColumn	CBoolean

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CMmcifReflDataFile: A reflection file in mmCIF format

CCP4Data.CData -> CCP4File.CDataFile -> CCP4File.CMmcifDataFile -> CCP4XtalData.CMmcifReflDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	A reflection file in mmCIF format
guiLabel	str	mmCIF reflection data
guiDefinition	dict	{}
helpFile	str	data_files#mmCIF
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	chemical/x-cif
mimeTypeDescription	str
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMmcifReflData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CMtzColumn: An MTZ column with column label and column type

CCP4Data.CData -> CCP4XtalData.CMtzColumn

Contents of class:

groupIndex	CInt
columnLabel	COneWord
columnType	CColumnType
dataset	COneWord

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CMtzColumnGroup

CCP4Data.CData -> CCP4XtalData.CMtzColumnGroup

Contents of class:

groupType	CMtzColumnGroupType
columns	CList

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CMtzColumnGroupType

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CColumnType -> CCP4XtalData.CMtzColumnGroupType

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	F
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	True	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	['H', 'J', 'F', 'D', 'Q', 'G', 'L', 'K', 'M', 'E', 'P', 'W', 'A', 'B', 'Y', 'I', 'R']	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CMtzData: Some of the data contents of an MTZ file

CCP4Data.CData -> CCP4File.CDataFileContent -> CCP4XtalData.CMtzData

Contents of class:

cell	CCell
wavelengths	CList
datasets	CList
crystalNames	CList
spaceGroup	CSpaceGroup
resolutionRange	CResolutionRange
datasetCells	CList
listOfColumns	CList
merged	CBoolean

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CMtzDataFile: An MTZ experimental data file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Experimental data in CCP4's MTZ format
guiLabel	str	Experimental data
guiDefinition	dict	{}
helpFile	str	data_files#MTZ
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz
mimeTypeDescription	str	MTZ experimental data
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMtzData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CMtzDataset

CCP4Data.CData -> CCP4XtalData.CMtzDataset

Contents of class:

columnGroups	CList
name	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CObsDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile -> CCP4XtalData.CMiniMtzDataFile -> CCP4XtalData.CObsDataFile

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Observed structure factors or intensities
guiLabel	str	Reflections
guiDefinition	dict	{}
helpFile	str	data_files#Obs
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz-observed
mimeTypeDescription	str	MTZ observed
fileLabel	str	observed_data	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMtzData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags
correctColumns	list	['KMKM', 'GLGL', 'JQ', 'FQ']	A list of coloumn data types expected in the file
columnGroupClassList	str	[, , , ]
sameCrystalAs	str	NotImplemented	Name of CMtzDataFile object that crystal parameters should match - probably the observed data

CPhaserSolDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CPhaserSolDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Possible solutions passed between runs of the Phaser program
guiLabel	str	Phaser solutions
guiDefinition	dict	{}
helpFile	str	data_files#phasersol
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['phaser_sol.pkl']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/phaser-sol
mimeTypeDescription	str	Phaser solution file
fileLabel	str	phaser_sol	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CPhasingGroup

CCP4Data.CData -> CCP4XtalData.CPhasingGroup

Contents of class:

formula	CString
type	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CPhiFomColumnGroup

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup -> CCP4XtalData.CPhiFomColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	Phase and figure of merit
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CPhsDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile -> CCP4XtalData.CMiniMtzDataFile -> CCP4XtalData.CPhsDataFile

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Phases in Hendrickson-Lattmann or Phi/FOM form
guiLabel	str	Phases
guiDefinition	dict	{}
helpFile	str	data_files#Phs
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz-phases
mimeTypeDescription	str	MTZ phases
fileLabel	str	phases	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CMtzData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags
correctColumns	list	['AAAA', 'PW']	A list of coloumn data types expected in the file
columnGroupClassList	str	[, ]
sameCrystalAs	str	NotImplemented	Name of CMtzDataFile object that crystal parameters should match - probably the observed data

CProgramColumnGroup: A group of MTZ columns required for program input

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	list	[]	Preferred values for column names
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time
toolTipList	list	[]	Tooltips for columns in group

CProgramColumnGroup0

CCP4Data.CData -> CCP4XtalData.CProgramColumnGroup0

Contents of class:

datasetName	CString
columnGroup	CMtzColumnGroup

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
groupTypes	list	[]	Type of columnGroup required by program
mtzFileKey	str		The key for a CMtxDataFile in the same CContainer
mustExist	bool	False	Flag if the parameter must be set at run time

CReindexOperator

CCP4Data.CData -> CCP4XtalData.CReindexOperator

Contents of class:

h	CString
k	CString
l	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CResolutionRange

CCP4Data.CData -> CCP4XtalData.CResolutionRange

Contents of class:

high	CFloat
low	CFloat

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CRunBatchRange

CCP4Data.CData -> CCP4XtalData.CRunBatchRange

Contents of class:

runNumber	CInt
fileNumber	CInt
batchRange0	CInt
batchRange1	CInt

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	Specify range of reflections to treat as one run
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CRunBatchRangeList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CRunBatchRangeList

Contents of class:

List of CRunBatchRange

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	1	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CShelxFADataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CShelxFADataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Data used by Shelx programs
guiLabel	str	Shelx FA
guiDefinition	dict	{}
helpFile	str	data_files#shelxfa
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['hkl']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-shelx-FA
mimeTypeDescription	str	Shelx FA
fileLabel	str	shelx_FA	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CShelxLabel

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CShelxLabel

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	UNDEFINED
toolTip	str	Hint to Shelx for the use of the dataset
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	True	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	['UNDEFINED', 'HREM', 'LREM', 'PEAK', 'INFL', 'NAT', 'DERI']	A list of allowed or recommended values for string
menuText	list	['undefined', 'high remote', 'low remote', 'peak', 'inflection', 'native', 'derivative']	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CSpaceGroup: A string holding the space group

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4XtalData.CSpaceGroup

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	NotImplemented
toolTip	str	Hermann-Mauguin space group name
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	crystal_data#space_group
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CSpaceGroupCell: Cell space group and parameters

CCP4Data.CData -> CCP4XtalData.CSpaceGroupCell

Contents of class:

cell	CCell
spaceGroup	CSpaceGroup

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	Space group and cell length and angles
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	crystal_data#cell_space_group
saveToDb	bool	False	Save this data in the database

CUnmergedDataContent

CCP4Data.CData -> CCP4File.CDataFileContent -> CCP4XtalData.CUnmergedDataContent

Contents of class:

knownwavelength	CBoolean
format	CString
batchs	CString
wavelength	CWavelength
spaceGroup	CSpaceGroup
knowncell	CBoolean
datasetName	CDatasetName
numberLattices	CInt
crystalName	CCrystalName
lowRes	CFloat
cell	CCell
highRes	CFloat
merged	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CUnmergedDataFile: Handle MTZ, XDS and scalepack files. Allow wildcard filename

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CUnmergedDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Unmerged experimental data in any format
guiLabel	str	Unmerged reflections
guiDefinition	dict	{}
helpFile	str	data_files#unmerged_data
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz', 'hkl', 'HKL', 'sca', 'SCA']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-unmerged-experimental
mimeTypeDescription	str	Unmerged experimental data
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CUnmergedDataContent	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CUnmergedDataFileList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4XtalData.CUnmergedDataFileList

Contents of class:

List of CUnmergedDataFile

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CUnmergedMtzDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4XtalData.CMtzDataFile -> CCP4XtalData.CUnmergedMtzDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Unmerged experimental data in CCP4's MTZ format
guiLabel	str	Unmerged MTZ reflections
guiDefinition	dict	{}
helpFile	str	data_files#MTZ
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mtz']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-mtz-unmerged
mimeTypeDescription	str	MTZ unmerged experimental data
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CWavelength: Wavelength in Angstrom

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CFloat -> CCP4XtalData.CWavelength

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	float	NotImplemented
toolTip	str	Data collection wavelength in Angstrom
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	10
min	float	0.0	The inclusive minimum value
max	float	None	The inclusive maximum value
onlyEnumerators	bool	False	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	[]	A Python list of allowed or recommended values - see onlyEnumerators
menuText	list	[]	A Python list of strings, matching items in enumerators list, to appear on GUI menu