Chemical Data Processing Library Python API - Version 1.2.0
Classes | Public Member Functions | Properties | List of all members
CDPL.Biomol.MMCIFData Class Reference

A data structure for the storage of imported MMCIF data (see [MMCIF]). More...

+ Inheritance diagram for CDPL.Biomol.MMCIFData:

Classes

class  Category
 
class  Item
 

Public Member Functions

None __init__ ()
 Initializes the MMCIFData instance.
 
None __init__ (MMCIFData data)
 Initializes a copy of the MMCIFData instance data. More...
 
None __init__ (str id)
 Initializes the MMCIFData instance. More...
 
int getObjectID ()
 Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
 
str getID ()
 
None setID (str id)
 
int getNumCategories ()
 
MMCIFData assign (MMCIFData data)
 Replaces the current state of self with a copy of the state of the MMCIFData instance data. More...
 
None swap (MMCIFData data)
 
None clear ()
 
Category findCategory (str name)
 
Category addCategory (str name, bool front=False)
 
Category getCategory (str name)
 
Category getCategory (int index)
 
Category lastCategory ()
 
bool removeCategory (str name)
 
None removeCategory (int index)
 
int __len__ ()
 
Category __getitem__ (str name)
 
Category __getitem__ (int index)
 
bool __delitem__ (str name)
 
None __delitem__ (int index)
 
bool __contains__ (str name)
 Returns the result of the membership test operation name in self. More...
 
object __str__ ()
 Returns a string representation of the MMCIFData instance. More...
 

Properties

 objectID = property(getObjectID)
 
 numCategories = property(getNumCategories)
 
 id = property(getId, setId)
 FIXME!
 

Detailed Description

A data structure for the storage of imported MMCIF data (see [MMCIF]).

Since
1.2

Constructor & Destructor Documentation

◆ __init__() [1/2]

None CDPL.Biomol.MMCIFData.__init__ ( MMCIFData  data)

Initializes a copy of the MMCIFData instance data.

Parameters
dataThe MMCIFData instance to copy.

◆ __init__() [2/2]

None CDPL.Biomol.MMCIFData.__init__ ( str  id)

Initializes the MMCIFData instance.

Parameters
id

Member Function Documentation

◆ getObjectID()

int CDPL.Biomol.MMCIFData.getObjectID ( )

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python MMCIFData instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two MMCIFData instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns
The numeric ID of the internally referenced C++ class instance.

◆ getID()

str CDPL.Biomol.MMCIFData.getID ( )
Returns

◆ setID()

None CDPL.Biomol.MMCIFData.setID ( str  id)
Parameters
id

◆ getNumCategories()

int CDPL.Biomol.MMCIFData.getNumCategories ( )
Returns

◆ assign()

MMCIFData CDPL.Biomol.MMCIFData.assign ( MMCIFData  data)

Replaces the current state of self with a copy of the state of the MMCIFData instance data.

Parameters
dataThe MMCIFData instance to copy.
Returns
self

◆ swap()

None CDPL.Biomol.MMCIFData.swap ( MMCIFData  data)
Parameters
data

◆ findCategory()

Category CDPL.Biomol.MMCIFData.findCategory ( str  name)
Parameters
name
Returns

◆ addCategory()

Category CDPL.Biomol.MMCIFData.addCategory ( str  name,
bool   front = False 
)
Parameters
name
front
Returns

◆ getCategory() [1/2]

Category CDPL.Biomol.MMCIFData.getCategory ( str  name)
Parameters
name
Returns

◆ getCategory() [2/2]

Category CDPL.Biomol.MMCIFData.getCategory ( int  index)
Parameters
index
Returns

◆ lastCategory()

Category CDPL.Biomol.MMCIFData.lastCategory ( )
Returns

◆ removeCategory() [1/2]

bool CDPL.Biomol.MMCIFData.removeCategory ( str  name)
Parameters
name
Returns

◆ removeCategory() [2/2]

None CDPL.Biomol.MMCIFData.removeCategory ( int  index)
Parameters
index

◆ __len__()

int CDPL.Biomol.MMCIFData.__len__ ( )
Returns

◆ __getitem__() [1/2]

Category CDPL.Biomol.MMCIFData.__getitem__ ( str  name)
Parameters
name
Returns

◆ __getitem__() [2/2]

Category CDPL.Biomol.MMCIFData.__getitem__ ( int  index)
Parameters
index
Returns

◆ __delitem__() [1/2]

bool CDPL.Biomol.MMCIFData.__delitem__ ( str  name)
Parameters
name
Returns

◆ __delitem__() [2/2]

None CDPL.Biomol.MMCIFData.__delitem__ ( int  index)
Parameters
index

◆ __contains__()

bool CDPL.Biomol.MMCIFData.__contains__ ( str  name)

Returns the result of the membership test operation name in self.

Parameters
nameThe value to test for membership.
Returns
The result of the membership test operation.

◆ __str__()

object CDPL.Biomol.MMCIFData.__str__ ( )

Returns a string representation of the MMCIFData instance.

Returns
The generated string representation.