Chemical Data Processing Library Python API - Version 1.2.0
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A data structure for the storage of imported MMCIF data (see [MMCIF]). More...
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! | |
A data structure for the storage of imported MMCIF data (see [MMCIF]).
None CDPL.Biomol.MMCIFData.__init__ | ( | MMCIFData | data | ) |
Initializes a copy of the MMCIFData instance data.
data | The MMCIFData instance to copy. |
None CDPL.Biomol.MMCIFData.__init__ | ( | str | id | ) |
Initializes the MMCIFData instance.
id |
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()
.
str CDPL.Biomol.MMCIFData.getID | ( | ) |
None CDPL.Biomol.MMCIFData.setID | ( | str | id | ) |
id |
int CDPL.Biomol.MMCIFData.getNumCategories | ( | ) |
Replaces the current state of self with a copy of the state of the MMCIFData instance data.
data | The MMCIFData instance to copy. |
None CDPL.Biomol.MMCIFData.swap | ( | MMCIFData | data | ) |
data |
Category CDPL.Biomol.MMCIFData.findCategory | ( | str | name | ) |
name |
Category CDPL.Biomol.MMCIFData.addCategory | ( | str | name, |
bool | front = False |
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) |
name | |
front |
Category CDPL.Biomol.MMCIFData.getCategory | ( | str | name | ) |
name |
Category CDPL.Biomol.MMCIFData.getCategory | ( | int | index | ) |
index |
Category CDPL.Biomol.MMCIFData.lastCategory | ( | ) |
bool CDPL.Biomol.MMCIFData.removeCategory | ( | str | name | ) |
name |
None CDPL.Biomol.MMCIFData.removeCategory | ( | int | index | ) |
index |
int CDPL.Biomol.MMCIFData.__len__ | ( | ) |
Category CDPL.Biomol.MMCIFData.__getitem__ | ( | str | name | ) |
name |
Category CDPL.Biomol.MMCIFData.__getitem__ | ( | int | index | ) |
index |
bool CDPL.Biomol.MMCIFData.__delitem__ | ( | str | name | ) |
name |
None CDPL.Biomol.MMCIFData.__delitem__ | ( | int | index | ) |
index |
bool CDPL.Biomol.MMCIFData.__contains__ | ( | str | name | ) |
Returns the result of the membership test operation name in self
.
name | The value to test for membership. |
object CDPL.Biomol.MMCIFData.__str__ | ( | ) |
Returns a string representation of the MMCIFData instance.