41 #ifndef OBJECTS_PCSUBSTANCE_PC_COORDINATES_BASE_HPP
42 #define OBJECTS_PCSUBSTANCE_PC_COORDINATES_BASE_HPP
54 #ifndef BEGIN_objects_SCOPE
55 # define BEGIN_objects_SCOPE BEGIN_SCOPE(objects)
56 # define END_objects_SCOPE END_SCOPE(objects)
95 typedef vector< int >
TAid;
98 typedef list< CRef< CPC_InfoData > >
TData;
122 bool IsSetType(
void)
const;
129 bool CanGetType(
void)
const;
132 void ResetType(
void);
138 const TType& GetType(
void)
const;
144 TType& SetType(
void);
156 bool IsSetAid(
void)
const;
163 bool CanGetAid(
void)
const;
172 const TAid& GetAid(
void)
const;
188 bool IsSetConformers(
void)
const;
195 bool CanGetConformers(
void)
const;
198 void ResetConformers(
void);
220 bool IsSetAtomlabels(
void)
const;
227 bool CanGetAtomlabels(
void)
const;
230 void ResetAtomlabels(
void);
252 bool IsSetData(
void)
const;
259 bool CanGetData(
void)
const;
262 void ResetData(
void);
268 const TData& GetData(
void)
const;
274 TData& SetData(
void);
277 virtual void Reset(
void);
User-defined methods of the data storage class.
Coordinates for the Compound of a given type.
Base class for all serializable objects.
uint32_t Uint4
4-byte (32-bit) unsigned integer
#define END_NCBI_SCOPE
End previously defined NCBI scope.
#define BEGIN_NCBI_SCOPE
Define ncbi namespace.
#define NCBI_PCSUBSTANCE_EXPORT
bool IsSetConformers(void) const
Conformers for this Coordinate Set Check if a value has been assigned to Conformers data member.
Tparent::CMemberIndex< E_memberIndex, 6 > TmemberIndex
const TAtomlabels & GetAtomlabels(void) const
Get the Atomlabels member data.
TType & SetType(void)
Assign a value to Type data member.
bool CanGetData(void) const
Check if it is safe to call GetData method.
list< CRef< CPC_AtomString > > TAtomlabels
DECLARE_INTERNAL_TYPE_INFO()
bool IsSetAid(void) const
Conformer Atom IDs (vector) (to be kept synchronized with Conformers) Note: Atom ID's must be greater...
TConformers & SetConformers(void)
Assign a value to Conformers data member.
list< CRef< CPC_InfoData > > m_Data
bool CanGetAid(void) const
Check if it is safe to call GetAid method.
bool IsSetData(void) const
Data Associated with these Coordinates Check if a value has been assigned to Data data member.
bool CanGetType(void) const
Check if it is safe to call GetType method.
bool IsSetType(void) const
Coordinate Type Information (vector) Check if a value has been assigned to Type data member.
CPC_Coordinates_Base & operator=(const CPC_Coordinates_Base &)
list< CRef< CPC_Conformer > > TConformers
const TConformers & GetConformers(void) const
Get the Conformers member data.
const TData & GetData(void) const
Get the Data member data.
TAtomlabels & SetAtomlabels(void)
Assign a value to Atomlabels data member.
list< CRef< CPC_AtomString > > m_Atomlabels
const TAid & GetAid(void) const
Get the Aid member data.
const TType & GetType(void) const
Get the Type member data.
TAid & SetAid(void)
Assign a value to Aid data member.
TData & SetData(void)
Assign a value to Data data member.
bool CanGetAtomlabels(void) const
Check if it is safe to call GetAtomlabels method.
bool IsSetAtomlabels(void) const
Atom labels for Conformer Set Check if a value has been assigned to Atomlabels data member.
bool CanGetConformers(void) const
Check if it is safe to call GetConformers method.
list< CRef< CPC_Conformer > > m_Conformers
CPC_Coordinates_Base(const CPC_Coordinates_Base &)
list< CRef< CPC_InfoData > > TData