Search Toolkit Book for CConformation_ensemble_Base
Correlated disorder ensemble is defined by a set of alternate conformation id's which identify coordinates relevant to that ensemble. More...
#include <objects/mmdb2/Conformation_ensemble_.hpp>
Inheritance diagram for CConformation_ensemble_Base:
Collaboration diagram for CConformation_ensemble_Base:
Public Types | |
| enum class | E_memberIndex { e__allMandatory = 0 , e_name , e_alt_conf_ids } |
| typedef string | TName |
| typedef list< CAlternate_conformation_id > | TAlt_conf_ids |
| typedef Tparent::CMemberIndex< E_memberIndex, 3 > | TmemberIndex |
| Public Types inherited from CObject | |
| enum | EAllocFillMode { eAllocFillNone = 1 , eAllocFillZero , eAllocFillPattern } |
| Control filling of newly allocated memory. More... | |
| typedef CObjectCounterLocker | TLockerType |
| Default locker type for CRef. More... | |
| typedef atomic< Uint8 > | TCounter |
| Counter type is CAtomiCounter. More... | |
| typedef Uint8 | TCount |
| Alias for value type of counter. More... | |
Public Member Functions | |
| CConformation_ensemble_Base (void) | |
| virtual | ~CConformation_ensemble_Base (void) |
| DECLARE_INTERNAL_TYPE_INFO () | |
| bool | IsSetName (void) const |
| Check if a value has been assigned to Name data member. More... | |
| bool | CanGetName (void) const |
| Check if it is safe to call GetName method. More... | |
| void | ResetName (void) |
| Reset Name data member. More... | |
| const TName & | GetName (void) const |
| Get the Name member data. More... | |
| void | SetName (const TName &value) |
| Assign a value to Name data member. More... | |
| void | SetName (TName &&value) |
| TName & | SetName (void) |
| Assign a value to Name data member. More... | |
| bool | IsSetAlt_conf_ids (void) const |
| Check if a value has been assigned to Alt_conf_ids data member. More... | |
| bool | CanGetAlt_conf_ids (void) const |
| Check if it is safe to call GetAlt_conf_ids method. More... | |
| void | ResetAlt_conf_ids (void) |
| Reset Alt_conf_ids data member. More... | |
| const TAlt_conf_ids & | GetAlt_conf_ids (void) const |
| Get the Alt_conf_ids member data. More... | |
| TAlt_conf_ids & | SetAlt_conf_ids (void) |
| Assign a value to Alt_conf_ids data member. More... | |
| virtual void | Reset (void) |
| Reset the whole object. More... | |
| Public Member Functions inherited from CSerialObject | |
| CSerialObject (void) | |
| virtual | ~CSerialObject (void) |
| virtual const CTypeInfo * | GetThisTypeInfo (void) const =0 |
| virtual void | Assign (const CSerialObject &source, ESerialRecursionMode how=eRecursive) |
| Set object to copy of another one. More... | |
| virtual bool | Equals (const CSerialObject &object, ESerialRecursionMode how=eRecursive) const |
| Check if both objects contain the same values. More... | |
| virtual void | DebugDump (CDebugDumpContext ddc, unsigned int depth) const |
| Define method for dumping debug information. More... | |
| void | ThrowUnassigned (TMemberIndex index) const |
| void | ThrowUnassigned (TMemberIndex index, const char *file_name, int file_line) const |
| bool | HasNamespaceName (void) const |
| Check if object data type has namespace name. More... | |
| const string & | GetNamespaceName (void) const |
| Get namespace name. More... | |
| bool | HasNamespacePrefix (void) const |
| Check if data type has namespace prefix. More... | |
| const string & | GetNamespacePrefix (void) const |
| Get namespace prefix. More... | |
| Public Member Functions inherited from CObject | |
| CObject (void) | |
| Constructor. More... | |
| CObject (const CObject &src) | |
| Copy constructor. More... | |
| virtual | ~CObject (void) |
| Destructor. More... | |
| CObject & | operator= (const CObject &src) THROWS_NONE |
| Assignment operator. More... | |
| bool | CanBeDeleted (void) const THROWS_NONE |
| Check if object can be deleted. More... | |
| bool | IsAllocatedInPool (void) const THROWS_NONE |
| Check if object is allocated in memory pool (not system heap) More... | |
| bool | Referenced (void) const THROWS_NONE |
| Check if object is referenced. More... | |
| bool | ReferencedOnlyOnce (void) const THROWS_NONE |
| Check if object is referenced only once. More... | |
| void | AddReference (void) const |
| Add reference to object. More... | |
| void | RemoveReference (void) const |
| Remove reference to object. More... | |
| void | ReleaseReference (void) const |
| Remove reference without deleting object. More... | |
| virtual void | DoNotDeleteThisObject (void) |
| Mark this object as not allocated in heap – do not delete this object. More... | |
| virtual void | DoDeleteThisObject (void) |
| Mark this object as allocated in heap – object can be deleted. More... | |
| void * | operator new (size_t size) |
| Define new operator for memory allocation. More... | |
| void * | operator new[] (size_t size) |
| Define new[] operator for 'array' memory allocation. More... | |
| void | operator delete (void *ptr) |
| Define delete operator for memory deallocation. More... | |
| void | operator delete[] (void *ptr) |
| Define delete[] operator for memory deallocation. More... | |
| void * | operator new (size_t size, void *place) |
| Define new operator. More... | |
| void | operator delete (void *ptr, void *place) |
| Define delete operator. More... | |
| void * | operator new (size_t size, CObjectMemoryPool *place) |
| Define new operator using memory pool. More... | |
| void | operator delete (void *ptr, CObjectMemoryPool *place) |
| Define delete operator. More... | |
| Public Member Functions inherited from CDebugDumpable | |
| CDebugDumpable (void) | |
| virtual | ~CDebugDumpable (void) |
| void | DebugDumpText (ostream &out, const string &bundle, unsigned int depth) const |
| void | DebugDumpFormat (CDebugDumpFormatter &ddf, const string &bundle, unsigned int depth) const |
| void | DumpToConsole (void) const |
Private Types | |
| typedef CSerialObject | Tparent |
Private Member Functions | |
| CConformation_ensemble_Base (const CConformation_ensemble_Base &) | |
| CConformation_ensemble_Base & | operator= (const CConformation_ensemble_Base &) |
Private Attributes | |
| Uint4 | m_set_State [1] |
| string | m_Name |
| list< CAlternate_conformation_id > | m_Alt_conf_ids |
Additional Inherited Members | |
| Static Public Member Functions inherited from CSerialObject | |
| static void | SetVerifyDataThread (ESerialVerifyData verify) |
| static void | SetVerifyDataGlobal (ESerialVerifyData verify) |
| static string | UnassignedString (void) |
| static CStringUTF8 | UnassignedStringUTF8 (void) |
| static char | UnassignedByte (void) |
| Static Public Member Functions inherited from CObject | |
| static NCBI_XNCBI_EXPORT void | ThrowNullPointerException (void) |
| Define method to throw null pointer exception. More... | |
| static NCBI_XNCBI_EXPORT void | ThrowNullPointerException (const type_info &type) |
| static EAllocFillMode | GetAllocFillMode (void) |
| static void | SetAllocFillMode (EAllocFillMode mode) |
| static void | SetAllocFillMode (const string &value) |
| Set mode from configuration parameter value. More... | |
| Static Public Member Functions inherited from CDebugDumpable | |
| static void | EnableDebugDump (bool on) |
| Static Public Attributes inherited from CSerialObject | |
| static const char * | ms_UnassignedStr = "<*unassigned*>" |
| static const char | ms_UnassignedByte = char(0xcd) |
| Static Public Attributes inherited from CObject | |
| static const TCount | eCounterBitsCanBeDeleted = 1 << 0 |
| Define possible object states. More... | |
| static const TCount | eCounterBitsInPlainHeap = 1 << 1 |
| Heap signature was found. More... | |
| static const TCount | eCounterBitsPlaceMask |
| Mask for 'in heap' state flags. More... | |
| static const int | eCounterStep = 1 << 2 |
| Skip over the "in heap" bits. More... | |
| static const TCount | eCounterValid = TCount(1) << (sizeof(TCount) * 8 - 2) |
| Minimal value for valid objects (reference counter is zero) Must be a single bit value. More... | |
| static const TCount | eCounterStateMask |
| Valid object, and object in heap. More... | |
| Protected Member Functions inherited from CObject | |
| virtual void | DeleteThis (void) |
| Virtual method "deleting" this object. More... | |
Detailed Description
Correlated disorder ensemble is defined by a set of alternate conformation id's which identify coordinates relevant to that ensemble.
These are defined from the validated and corrected contents of the PDB "alternate conformation" field as described above. A given ensemble, for example, may consist of atom sites flagged by " " and "A" Alternate-conformation-ids. Names for ensembles are constructed from these flags. This example would be named, in its description, "PDB Ensemble blank plus A". Note that this interpretation is consistent with common PDB usage of the "alternate conformation" field, but that PDB specifications do not formally distinguish between correlated and uncorrelated disorder in crystallographic models. Ensembles identified in MMDB thus may not correspond to the meaning intended by PDB or the depositor. No information is lost, however, and if the intended meaning is known alternative ensemble descriptions may be reconstructed directly from the Alternate-conformation-ids. Note that correlated disorder as defined here is allowed within an atomic coordinate set but not between the multiple sets which may define a model. Multiple sets within the same model are intended as a means to represent assemblies modeled from different experimentally determined structures, where correlated disorder between coordinate sets is not relevant.
Definition at line 93 of file Conformation_ensemble_.hpp.
The documentation for this class was generated from the following files:
- include/objects/mmdb2/Conformation_ensemble_.hpp
- src/objects/mmdb2/Conformation_ensemble_.cpp
