Residue_graph_.hpp

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/* $Id$
 * ===========================================================================
 *
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 *               National Center for Biotechnology Information
 *
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 *  terms of the United States Copyright Act.  It was written as part of
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/// @file Residue_graph_.hpp
/// Data storage class.
///
/// This file was generated by application DATATOOL
/// using the following specifications:
/// <a href="/IEB/ToolBox/CPP_DOC/lxr/source/src/objects/mmdb1/mmdb1.asn">mmdb1.asn</a>
/// and additional tune-up parameters:
/// <a href="/IEB/ToolBox/CPP_DOC/lxr/source/src/objects/mmdb1/mmdb1.def">mmdb1.def</a>
///
/// ATTENTION:
///   Don't edit or commit this file into CVS as this file will
///   be overridden (by DATATOOL) without warning!
 
#ifndef OBJECTS_MMDB1_RESIDUE_GRAPH_BASE_HPP
#define OBJECTS_MMDB1_RESIDUE_GRAPH_BASE_HPP
 
// standard includes
#include <serial/serialbase.hpp>
 
// generated includes
#include <list>
#include <string>
#include <objects/mmdb1/Residue_graph_id.hpp>
 
BEGIN_NCBI_SCOPE
 
#ifndef BEGIN_objects_SCOPE
#  define BEGIN_objects_SCOPE BEGIN_SCOPE(objects)
#  define END_objects_SCOPE END_SCOPE(objects)
#endif
BEGIN_objects_SCOPE // namespace ncbi::objects::
 
 
// forward declarations
class CAtom;
class CBiomol_descr;
class CChiral_center;
class CIntra_residue_bond;
 
 
// generated classes
 
 
/** @addtogroup dataspec_MMDB_Chemical_graph
 *
 * @{
 */
 
/////////////////////////////////////////////////////////////////////////////
/// Residue graphs define atomic formulae, connectivity, chirality, and names.
/// For standard residue graphs from the MMDB dictionary the PDB-assigned 
/// residue-type code appears as the name within the residue graph description,
/// and the full trivial name of the residue as a comment within that 
/// description.  For any nonstandard residue graphs provided with an MMDB 
/// biostruc the PDB-assigned residue-type code similarly appears as the name 
/// within the description, and any information provided on PDB HET records as 
/// a pdb-comment within that description.  
/// Note that nonstandard residue graphs for a PDB-derived biostruc may be 
/// incomplete. Current PDB format cannot represent connectivity for groups 
/// which are disordered, and for which no coordinates are given.  In these 
/// cases the residue graph defined in MMDB represents only the subgraph that 
/// could be identified from available ATOM, HETATM and CONECT records.
///
/// CResidue_graph_Base --
///
 
class NCBI_MMDB1_EXPORT CResidue_graph_Base : public CSerialObject
{
    typedef CSerialObject Tparent;
public:
    // constructor
    CResidue_graph_Base(void);
    // destructor
    virtual ~CResidue_graph_Base(void);
 
    // type info
    DECLARE_INTERNAL_TYPE_INFO();
 
    enum EResidue_type {
        eResidue_type_deoxyribonucleotide =   1,
        eResidue_type_ribonucleotide      =   2,
        eResidue_type_amino_acid          =   3,
        eResidue_type_other               = 255
    };
    
    /// Access to EResidue_type's attributes (values, names) as defined in spec
    static const NCBI_NS_NCBI::CEnumeratedTypeValues* ENUM_METHOD_NAME(EResidue_type)(void);
    
    // types
    typedef CResidue_graph_id TId;
    typedef list< CRef< CBiomol_descr > > TDescr;
    typedef int TResidue_type;
    typedef list< string > TIupac_code;
    typedef list< CRef< CAtom > > TAtoms;
    typedef list< CRef< CIntra_residue_bond > > TBonds;
    typedef list< CRef< CChiral_center > > TChiral_centers;
 
    // member index
    enum class E_memberIndex {
        e__allMandatory = 0,
        e_id,
        e_descr,
        e_residue_type,
        e_iupac_code,
        e_atoms,
        e_bonds,
        e_chiral_centers
    };
    typedef Tparent::CMemberIndex<E_memberIndex, 8> TmemberIndex;
 
    // getters
    // setters
 
    /// Check if a value has been assigned to Id data member.
    ///
    /// Data member Id is mandatory;
    /// its type is defined as 'typedef CResidue_graph_id TId'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetId(void) const;
 
    /// Check if it is safe to call GetId method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetId(void) const;
 
    /// Reset Id data member.
    void ResetId(void);
 
    /// Get the Id member data.
    ///
    /// @return
    ///   Reference to the member data.
    const TId& GetId(void) const;
 
    /// Assign a value to Id data member.
    ///
    /// @param value
    ///   Value to assign
    void SetId(const TId& value);
 
    /// Assign a value to Id data member.
    ///
    /// @return
    ///   Reference to the data value.
    TId& SetId(void);
 
    /// Check if a value has been assigned to Descr data member.
    ///
    /// Data member Descr is optional;
    /// its type is defined as 'typedef list< CRef< CBiomol_descr > > TDescr'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetDescr(void) const;
 
    /// Check if it is safe to call GetDescr method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetDescr(void) const;
 
    /// Reset Descr data member.
    void ResetDescr(void);
 
    /// Get the Descr member data.
    ///
    /// @return
    ///   Reference to the member data.
    const TDescr& GetDescr(void) const;
 
    /// Assign a value to Descr data member.
    ///
    /// @return
    ///   Reference to the data value.
    TDescr& SetDescr(void);
 
    /// Check if a value has been assigned to Residue_type data member.
    ///
    /// Data member Residue_type is optional;
    /// its type is defined as 'typedef int TResidue_type'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetResidue_type(void) const;
 
    /// Check if it is safe to call GetResidue_type method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetResidue_type(void) const;
 
    /// Reset Residue_type data member.
    void ResetResidue_type(void);
 
    /// Get the Residue_type member data.
    ///
    /// @return
    ///   Copy of the member data.
    TResidue_type GetResidue_type(void) const;
 
    /// Assign a value to Residue_type data member.
    ///
    /// @param value
    ///   Value to assign
    void SetResidue_type(TResidue_type value);
 
    /// Assign a value to Residue_type data member.
    ///
    /// @return
    ///   Reference to the data value.
    TResidue_type& SetResidue_type(void);
 
    /// Check if a value has been assigned to Iupac_code data member.
    ///
    /// Data member Iupac_code is optional;
    /// its type is defined as 'typedef list< string > TIupac_code'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetIupac_code(void) const;
 
    /// Check if it is safe to call GetIupac_code method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetIupac_code(void) const;
 
    /// Reset Iupac_code data member.
    void ResetIupac_code(void);
 
    /// Get the Iupac_code member data.
    ///
    /// @return
    ///   Reference to the member data.
    const TIupac_code& GetIupac_code(void) const;
 
    /// Assign a value to Iupac_code data member.
    ///
    /// @return
    ///   Reference to the data value.
    TIupac_code& SetIupac_code(void);
 
    /// Check if a value has been assigned to Atoms data member.
    ///
    /// Data member Atoms is mandatory;
    /// its type is defined as 'typedef list< CRef< CAtom > > TAtoms'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetAtoms(void) const;
 
    /// Check if it is safe to call GetAtoms method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetAtoms(void) const;
 
    /// Reset Atoms data member.
    void ResetAtoms(void);
 
    /// Get the Atoms member data.
    ///
    /// @return
    ///   Reference to the member data.
    const TAtoms& GetAtoms(void) const;
 
    /// Assign a value to Atoms data member.
    ///
    /// @return
    ///   Reference to the data value.
    TAtoms& SetAtoms(void);
 
    /// Check if a value has been assigned to Bonds data member.
    ///
    /// Data member Bonds is mandatory;
    /// its type is defined as 'typedef list< CRef< CIntra_residue_bond > > TBonds'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetBonds(void) const;
 
    /// Check if it is safe to call GetBonds method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetBonds(void) const;
 
    /// Reset Bonds data member.
    void ResetBonds(void);
 
    /// Get the Bonds member data.
    ///
    /// @return
    ///   Reference to the member data.
    const TBonds& GetBonds(void) const;
 
    /// Assign a value to Bonds data member.
    ///
    /// @return
    ///   Reference to the data value.
    TBonds& SetBonds(void);
 
    /// Check if a value has been assigned to Chiral_centers data member.
    ///
    /// Data member Chiral_centers is optional;
    /// its type is defined as 'typedef list< CRef< CChiral_center > > TChiral_centers'
    /// @return
    ///   - true, if a value has been assigned.
    ///   - false, otherwise.
    bool IsSetChiral_centers(void) const;
 
    /// Check if it is safe to call GetChiral_centers method.
    ///
    /// @return
    ///   - true, if the data member is getatable.
    ///   - false, otherwise.
    bool CanGetChiral_centers(void) const;
 
    /// Reset Chiral_centers data member.
    void ResetChiral_centers(void);
 
    /// Get the Chiral_centers member data.
    ///
    /// @return
    ///   Reference to the member data.
    const TChiral_centers& GetChiral_centers(void) const;
 
    /// Assign a value to Chiral_centers data member.
    ///
    /// @return
    ///   Reference to the data value.
    TChiral_centers& SetChiral_centers(void);
 
    /// Reset the whole object
    virtual void Reset(void);
 
 
private:
    // Prohibit copy constructor and assignment operator
    CResidue_graph_Base(const CResidue_graph_Base&);
    CResidue_graph_Base& operator=(const CResidue_graph_Base&);
 
    // data
    Uint4 m_set_State[1];
    CResidue_graph_id m_Id;
    list< CRef< CBiomol_descr > > m_Descr;
    int m_Residue_type;
    list< string > m_Iupac_code;
    list< CRef< CAtom > > m_Atoms;
    list< CRef< CIntra_residue_bond > > m_Bonds;
    list< CRef< CChiral_center > > m_Chiral_centers;
};
 
/* @} */
 
 
 
 
 
///////////////////////////////////////////////////////////
///////////////////// inline methods //////////////////////
///////////////////////////////////////////////////////////
inline
bool CResidue_graph_Base::IsSetId(void) const
{
    return ((m_set_State[0] & 0x3) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetId(void) const
{
    return IsSetId();
}
 
inline
void CResidue_graph_Base::ResetId(void)
{
    m_Id = CResidue_graph_id(0);
    m_set_State[0] &= ~0x3;
}
 
inline
const CResidue_graph_Base::TId& CResidue_graph_Base::GetId(void) const
{
    if (!CanGetId()) {
        ThrowUnassigned(0);
    }
    return m_Id;
}
 
inline
void CResidue_graph_Base::SetId(const CResidue_graph_Base::TId& value)
{
    m_Id = value;
    m_set_State[0] |= 0x3;
}
 
inline
CResidue_graph_Base::TId& CResidue_graph_Base::SetId(void)
{
    m_set_State[0] |= 0x1;
    return m_Id;
}
 
inline
bool CResidue_graph_Base::IsSetDescr(void) const
{
    return ((m_set_State[0] & 0xc) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetDescr(void) const
{
    return true;
}
 
inline
const CResidue_graph_Base::TDescr& CResidue_graph_Base::GetDescr(void) const
{
    return m_Descr;
}
 
inline
CResidue_graph_Base::TDescr& CResidue_graph_Base::SetDescr(void)
{
    m_set_State[0] |= 0x4;
    return m_Descr;
}
 
inline
bool CResidue_graph_Base::IsSetResidue_type(void) const
{
    return ((m_set_State[0] & 0x30) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetResidue_type(void) const
{
    return IsSetResidue_type();
}
 
inline
void CResidue_graph_Base::ResetResidue_type(void)
{
    m_Residue_type = (EResidue_type)(0);
    m_set_State[0] &= ~0x30;
}
 
inline
CResidue_graph_Base::TResidue_type CResidue_graph_Base::GetResidue_type(void) const
{
    if (!CanGetResidue_type()) {
        ThrowUnassigned(2);
    }
    return m_Residue_type;
}
 
inline
void CResidue_graph_Base::SetResidue_type(CResidue_graph_Base::TResidue_type value)
{
    m_Residue_type = value;
    m_set_State[0] |= 0x30;
}
 
inline
CResidue_graph_Base::TResidue_type& CResidue_graph_Base::SetResidue_type(void)
{
#ifdef _DEBUG
    if (!IsSetResidue_type()) {
        memset(&m_Residue_type,UnassignedByte(),sizeof(m_Residue_type));
    }
#endif
    m_set_State[0] |= 0x10;
    return m_Residue_type;
}
 
inline
bool CResidue_graph_Base::IsSetIupac_code(void) const
{
    return ((m_set_State[0] & 0xc0) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetIupac_code(void) const
{
    return true;
}
 
inline
const CResidue_graph_Base::TIupac_code& CResidue_graph_Base::GetIupac_code(void) const
{
    return m_Iupac_code;
}
 
inline
CResidue_graph_Base::TIupac_code& CResidue_graph_Base::SetIupac_code(void)
{
    m_set_State[0] |= 0x40;
    return m_Iupac_code;
}
 
inline
bool CResidue_graph_Base::IsSetAtoms(void) const
{
    return ((m_set_State[0] & 0x300) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetAtoms(void) const
{
    return true;
}
 
inline
const CResidue_graph_Base::TAtoms& CResidue_graph_Base::GetAtoms(void) const
{
    return m_Atoms;
}
 
inline
CResidue_graph_Base::TAtoms& CResidue_graph_Base::SetAtoms(void)
{
    m_set_State[0] |= 0x100;
    return m_Atoms;
}
 
inline
bool CResidue_graph_Base::IsSetBonds(void) const
{
    return ((m_set_State[0] & 0xc00) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetBonds(void) const
{
    return true;
}
 
inline
const CResidue_graph_Base::TBonds& CResidue_graph_Base::GetBonds(void) const
{
    return m_Bonds;
}
 
inline
CResidue_graph_Base::TBonds& CResidue_graph_Base::SetBonds(void)
{
    m_set_State[0] |= 0x400;
    return m_Bonds;
}
 
inline
bool CResidue_graph_Base::IsSetChiral_centers(void) const
{
    return ((m_set_State[0] & 0x3000) != 0);
}
 
inline
bool CResidue_graph_Base::CanGetChiral_centers(void) const
{
    return true;
}
 
inline
const CResidue_graph_Base::TChiral_centers& CResidue_graph_Base::GetChiral_centers(void) const
{
    return m_Chiral_centers;
}
 
inline
CResidue_graph_Base::TChiral_centers& CResidue_graph_Base::SetChiral_centers(void)
{
    m_set_State[0] |= 0x1000;
    return m_Chiral_centers;
}
 
///////////////////////////////////////////////////////////
////////////////// end of inline methods //////////////////
///////////////////////////////////////////////////////////
 
 
 
 
 
END_objects_SCOPE // namespace ncbi::objects::
 
END_NCBI_SCOPE
 
 
#endif // OBJECTS_MMDB1_RESIDUE_GRAPH_BASE_HPP