OpenStructure
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
Public Member Functions
MMCifInfo Class Reference

#include <mmcif_info.hh>

Public Member Functions

 MMCifInfo ()
void AddCitation (MMCifInfoCitation citation)
void AddAuthorsToCitation (StringRef id, std::vector< String > list)
const std::vector
< MMCifInfoCitation > & 
GetCitations () const
void SetMethod (String method)
const StringRef GetMethod () const
void SetResolution (Real res)
Real GetResolution () const
void AddMMCifPDBChainTr (String cif, String pdb)
String GetMMCifPDBChainTr (String cif) const
void AddPDBMMCifChainTr (String pdb, String cif)
String GetPDBMMCifChainTr (String pdb) const
void AddBioUnit (MMCifInfoBioUnit bu)
const std::vector
< MMCifInfoBioUnit > & 
GetBioUnits () const
void AddOperation (MMCifInfoTransOpPtr op)
const std::vector
< MMCifInfoTransOpPtr > & 
GetOperations () const
void SetStructDetails (MMCifInfoStructDetails details)
const MMCifInfoStructDetails GetStructDetails () const
void SetObsoleteInfo (MMCifInfoObsolete obsolete)
MMCifInfoObsolete GetObsoleteInfo () const
const MMCifInfoStructRefsGetStructRefs () const
void SetStructRefs (const MMCifInfoStructRefs &sr)
void SetRevisionsDateOriginal (String date)
void AddRevision (int num, String date, String status)
MMCifInfoRevisions GetRevisions () const
 MMCifInfo ()
void AddCitation (MMCifInfoCitation citation)
void AddAuthorsToCitation (StringRef id, std::vector< String > list)
const std::vector
< MMCifInfoCitation > & 
GetCitations () const
void SetMethod (String method)
const StringRef GetMethod () const
void SetResolution (Real res)
Real GetResolution () const
void AddMMCifPDBChainTr (String cif, String pdb)
String GetMMCifPDBChainTr (String cif) const
void AddPDBMMCifChainTr (String pdb, String cif)
String GetPDBMMCifChainTr (String pdb) const
void AddBioUnit (MMCifInfoBioUnit bu)
const std::vector
< MMCifInfoBioUnit > & 
GetBioUnits () const
void AddOperation (MMCifInfoTransOpPtr op)
const std::vector
< MMCifInfoTransOpPtr > & 
GetOperations () const
void SetStructDetails (MMCifInfoStructDetails details)
const MMCifInfoStructDetails GetStructDetails () const
void SetObsoleteInfo (MMCifInfoObsolete obsolete)
MMCifInfoObsolete GetObsoleteInfo () const
const MMCifInfoStructRefsGetStructRefs () const
void SetStructRefs (const MMCifInfoStructRefs &sr)
void SetRevisionsDateOriginal (String date)
void AddRevision (int num, String date, String status)
MMCifInfoRevisions GetRevisions () const

Detailed Description

container class for additional information from MMCif files

annotation information

MMCif files contain loads of additional information beside coordinates. This class is set up to capture some of it. In detail, we have:

Definition at line 847 of file mmcif_info.hh.


Constructor & Destructor Documentation

MMCifInfo ( )
inline

Create an info object.

Definition at line 850 of file mmcif_info.hh.

MMCifInfo ( )
inline

Create an info object.

Definition at line 850 of file mmcif_info.hh.


Member Function Documentation

void AddAuthorsToCitation ( StringRef  id,
std::vector< String list 
)

Add a list of authors to a specific citation.

Parameters:
ididentifier of the citation to be modified.
listlist of authors to be added.
void AddAuthorsToCitation ( StringRef  id,
std::vector< String list 
)

Add a list of authors to a specific citation.

Parameters:
ididentifier of the citation to be modified.
listlist of authors to be added.
void AddBioUnit ( MMCifInfoBioUnit  bu)

Add a biounit.

Parameters:
bubiounit to be added
void AddBioUnit ( MMCifInfoBioUnit  bu)

Add a biounit.

Parameters:
bubiounit to be added
void AddCitation ( MMCifInfoCitation  citation)
inline

Add an item to the list of citations.

Parameters:
citationto be added

Definition at line 855 of file mmcif_info.hh.

void AddCitation ( MMCifInfoCitation  citation)
inline

Add an item to the list of citations.

Parameters:
citationto be added

Definition at line 855 of file mmcif_info.hh.

void AddMMCifPDBChainTr ( String  cif,
String  pdb 
)

Add a new mmCIF/ PDB chain name tuple.

Parameters:
cifchain name as used by the mmCIF file (label_asym_id)
pdbchain name as used in the PDB file (auth_asym_id)
void AddMMCifPDBChainTr ( String  cif,
String  pdb 
)

Add a new mmCIF/ PDB chain name tuple.

Parameters:
cifchain name as used by the mmCIF file (label_asym_id)
pdbchain name as used in the PDB file (auth_asym_id)
void AddOperation ( MMCifInfoTransOpPtr  op)
inline

Add a operation.

Parameters:
opoperation to be added

Definition at line 937 of file mmcif_info.hh.

void AddOperation ( MMCifInfoTransOpPtr  op)
inline

Add a operation.

Parameters:
opoperation to be added

Definition at line 937 of file mmcif_info.hh.

void AddPDBMMCifChainTr ( String  pdb,
String  cif 
)

Add a new PDB/ mmCIF chain name tuple.

Parameters:
pdbchain name as used by the PDB file (auth_asym_id)
cifchain name as used in the mmCIF file (label_asym_id)
void AddPDBMMCifChainTr ( String  pdb,
String  cif 
)

Add a new PDB/ mmCIF chain name tuple.

Parameters:
pdbchain name as used by the PDB file (auth_asym_id)
cifchain name as used in the mmCIF file (label_asym_id)
void AddRevision ( int  num,
String  date,
String  status 
)
inline

Add a revision to history.

Parameters:
numunique identifier
datedate of revision
statusstatus of the revision

Definition at line 997 of file mmcif_info.hh.

void AddRevision ( int  num,
String  date,
String  status 
)
inline

Add a revision to history.

Parameters:
numunique identifier
datedate of revision
statusstatus of the revision

Definition at line 997 of file mmcif_info.hh.

const std::vector<MMCifInfoBioUnit>& GetBioUnits ( ) const
inline

Get the list of biounits stored in an info object.

Returns:
vector of MMCifInfoBioUnit objects

Definition at line 929 of file mmcif_info.hh.

const std::vector<MMCifInfoBioUnit>& GetBioUnits ( ) const
inline

Get the list of biounits stored in an info object.

Returns:
vector of MMCifInfoBioUnit objects

Definition at line 929 of file mmcif_info.hh.

const std::vector<MMCifInfoCitation>& GetCitations ( ) const
inline

Get the list of citations stored in an info object.

Returns:
vector of MMCifInfoCitation objects

Definition at line 869 of file mmcif_info.hh.

const std::vector<MMCifInfoCitation>& GetCitations ( ) const
inline

Get the list of citations stored in an info object.

Returns:
vector of MMCifInfoCitation objects

Definition at line 869 of file mmcif_info.hh.

const StringRef GetMethod ( ) const
inline

Get an experimental method.

Returns:
Method description

Definition at line 882 of file mmcif_info.hh.

const StringRef GetMethod ( ) const
inline

Get an experimental method.

Returns:
Method description

Definition at line 882 of file mmcif_info.hh.

String GetMMCifPDBChainTr ( String  cif) const

Get a PDB chain name for a CIF chain name.

Parameters:
cifchain name as used by the mmCIF file (label_asym_id)
Returns:
chain name as used in the PDB file (auth_asym_id)
String GetMMCifPDBChainTr ( String  cif) const

Get a PDB chain name for a CIF chain name.

Parameters:
cifchain name as used by the mmCIF file (label_asym_id)
Returns:
chain name as used in the PDB file (auth_asym_id)
MMCifInfoObsolete GetObsoleteInfo ( ) const
inline

Get information on an obsolete entries.

Returns:
MMCifInfoObsolete object

Definition at line 977 of file mmcif_info.hh.

MMCifInfoObsolete GetObsoleteInfo ( ) const
inline

Get information on an obsolete entries.

Returns:
MMCifInfoObsolete object

Definition at line 977 of file mmcif_info.hh.

const std::vector<MMCifInfoTransOpPtr>& GetOperations ( ) const
inline

Get the list of operations stored in an info object.

Returns:
vector of MMCifInfoTransOp objects

Definition at line 945 of file mmcif_info.hh.

const std::vector<MMCifInfoTransOpPtr>& GetOperations ( ) const
inline

Get the list of operations stored in an info object.

Returns:
vector of MMCifInfoTransOp objects

Definition at line 945 of file mmcif_info.hh.

String GetPDBMMCifChainTr ( String  pdb) const

Get a CIF chain name for a PDB chain name.

Parameters:
pdbchain name as used by the mmCIF file (auth_asym_id)
Returns:
chain name as used in the PDB file (label_asym_id)
String GetPDBMMCifChainTr ( String  pdb) const

Get a CIF chain name for a PDB chain name.

Parameters:
pdbchain name as used by the mmCIF file (auth_asym_id)
Returns:
chain name as used in the PDB file (label_asym_id)
Real GetResolution ( ) const
inline

Get resolution.

Returns:
experiment resolution

Definition at line 895 of file mmcif_info.hh.

Real GetResolution ( ) const
inline

Get resolution.

Returns:
experiment resolution

Definition at line 895 of file mmcif_info.hh.

MMCifInfoRevisions GetRevisions ( ) const
inline

Get history.

Returns:
MMCifInfoRevisions

Definition at line 1005 of file mmcif_info.hh.

MMCifInfoRevisions GetRevisions ( ) const
inline

Get history.

Returns:
MMCifInfoRevisions

Definition at line 1005 of file mmcif_info.hh.

const MMCifInfoStructDetails GetStructDetails ( ) const
inline

Get the list of details about structures.

Returns:
vector of MMCifInfoStructDetails objects

Definition at line 961 of file mmcif_info.hh.

const MMCifInfoStructDetails GetStructDetails ( ) const
inline

Get the list of details about structures.

Returns:
vector of MMCifInfoStructDetails objects

Definition at line 961 of file mmcif_info.hh.

const MMCifInfoStructRefs& GetStructRefs ( ) const
inline

Definition at line 981 of file mmcif_info.hh.

const MMCifInfoStructRefs& GetStructRefs ( ) const
inline

Definition at line 981 of file mmcif_info.hh.

void SetMethod ( String  method)
inline

Set an experimental method.

Parameters:
methodMethod description

Definition at line 877 of file mmcif_info.hh.

void SetMethod ( String  method)
inline

Set an experimental method.

Parameters:
methodMethod description

Definition at line 877 of file mmcif_info.hh.

void SetObsoleteInfo ( MMCifInfoObsolete  obsolete)
inline

Add a block of information on obsolete entries.

Parameters:
obsolete

Definition at line 969 of file mmcif_info.hh.

void SetObsoleteInfo ( MMCifInfoObsolete  obsolete)
inline

Add a block of information on obsolete entries.

Parameters:
obsolete

Definition at line 969 of file mmcif_info.hh.

void SetResolution ( Real  res)
inline

Set resolution.

Parameters:
resexperiment resolution

Definition at line 890 of file mmcif_info.hh.

void SetResolution ( Real  res)
inline

Set resolution.

Parameters:
resexperiment resolution

Definition at line 890 of file mmcif_info.hh.

void SetRevisionsDateOriginal ( String  date)
inline

Set date_original of revisions.

Parameters:
date

Definition at line 987 of file mmcif_info.hh.

void SetRevisionsDateOriginal ( String  date)
inline

Set date_original of revisions.

Parameters:
date

Definition at line 987 of file mmcif_info.hh.

void SetStructDetails ( MMCifInfoStructDetails  details)
inline

Add a set of structure details.

Parameters:
detailsinfo block to be added

Definition at line 953 of file mmcif_info.hh.

void SetStructDetails ( MMCifInfoStructDetails  details)
inline

Add a set of structure details.

Parameters:
detailsinfo block to be added

Definition at line 953 of file mmcif_info.hh.

void SetStructRefs ( const MMCifInfoStructRefs sr)
inline

Definition at line 982 of file mmcif_info.hh.

void SetStructRefs ( const MMCifInfoStructRefs sr)
inline

Definition at line 982 of file mmcif_info.hh.


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