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| ResidueImpl (const EntityImplPtr &ent, const ChainImplPtr &ch, const ResNum &num, const ResidueKey &key) |
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AtomImplPtr | InsertAtom (const String &name, const geom::Vec3 &pos, const String &ele) |
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AtomImplPtr | InsertAtom (const AtomImplPtr &atom) |
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AtomImplPtr | InsertAltAtom (const String &name, const String &alt_group, const geom::Vec3 &pos, const String &ele, Real occ, Real b_factor) |
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const ResNum & | GetNumber () const |
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void | SetNumber (const ResNum &num) |
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const ResidueKey & | GetKey () const |
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void | SetKey (const ResidueKey &key) |
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ChainImplPtr | GetChain () const |
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AtomImplPtr | GetCentralAtom () const |
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void | SetCentralAtom (const AtomImplPtr &a) |
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geom::Vec3 | GetCentralNormal () const |
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char | GetOneLetterCode () const |
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void | SetOneLetterCode (const char olc) |
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AtomImplPtr | FindAtom (const String &aname) const |
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void | Apply (EntityVisitor &v) |
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int | GetAtomCount () const |
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int | GetBondCount () const |
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EntityImplPtr | GetEntity () const |
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TorsionImplP | GetPhiTorsion () const |
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TorsionImplP | GetOmegaTorsion () const |
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TorsionImplP | GetPsiTorsion () const |
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SecStructure | GetSecStructure () const |
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void | SetSecStructure (SecStructure ss) |
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const AtomImplList & | GetAtomList () const |
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AtomImplList & | GetAtomList () |
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Real | GetMass () const |
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geom::Vec3 | GetCenterOfMass () const |
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geom::Vec3 | GetCenterOfAtoms () const |
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geom::AlignedCuboid | GetBounds () const |
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void | DeleteAtom (const AtomImplPtr &atom) |
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void | DeleteAtoms (const String &atom_name) |
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void | DeleteAllAtoms () |
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void | AddTorsion (const TorsionImplP &torsion) |
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const TorsionImplList & | GetTorsionList () const |
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bool | HasAltAtomGroup (const String &group) const |
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std::vector< String > | GetAltAtomGroupNames () const |
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std::vector< String > | GetAltAtomGroupNames (const AtomImplPtr &atom) const |
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bool | HasAltAtoms () const |
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Real | GetAverageBFactor () const |
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bool | SwitchAtomPos (const String &group) |
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void | AddAltAtomPos (const String &group, const AtomImplPtr &atom, const geom::Vec3 &position, Real occ, Real b_factor) |
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geom::Vec3 | GetAltAtomPos (const AtomImplPtr &atom, const String &group) const |
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Real | GetAltAtomOcc (const AtomImplPtr &atom, const String &group) const |
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Real | GetAltAtomBFactor (const AtomImplPtr &atom, const String &group) const |
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const String & | GetCurrentAltGroupName () const |
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int | GetIndex () const |
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String | GetQualifiedName () const |
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const String & | GetName () const |
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TorsionImplList & | GetTorsionList () |
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void | SetChemClass (ChemClass cc) |
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ChemClass | GetChemClass () const |
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ChemType | GetChemType () const |
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void | SetChemType (ChemType ct) |
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TorsionImplP | FindTorsion (const String &torsion_name) const |
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String | GetStringProperty (Prop::ID prop_id) const |
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Real | GetFloatProperty (Prop::ID prop_id) const |
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int | GetIntProperty (Prop::ID prop_id) const |
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void | SetProtein (bool protein) |
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bool | IsProtein () const |
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bool | IsLigand () const |
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void | SetIsLigand (bool flag) |
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void | UpdateTransformedPos () |
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| GenericPropContainerImpl () |
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| ~GenericPropContainerImpl () |
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| GenericPropContainerImpl (const GenericPropContainerImpl &rhs) |
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GenericPropContainerImpl & | operator= (const GenericPropContainerImpl &r) |
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GenericPropValue & | GenericProp (const String &key) |
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const GenericPropValue & | GenericProp (const String &key) const |
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bool | HasProp (const String &key) const |
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void | ClearProps () |
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void | RemoveProp (const String &key) |
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void | Assign (const GenericPropContainerImpl &impl) |
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PropertyMap | GetPropMap () const |
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std::vector< String > | GetPropList () const |
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Definition at line 47 of file residue_impl.hh.